#METABOLOMICS WORKBENCH mozcam_20250511_185444 DATATRACK_ID:5904 STUDY_ID:ST003917 ANALYSIS_ID:AN006432 PROJECT_ID:PR002450
VERSION             	1
CREATED_ON             	May 14, 2025, 9:48 pm
#PROJECT
PR:PROJECT_TITLE                 	Gut Microbial Bile and Amino Acid Metabolism Associate with Peanut Oral
PR:PROJECT_TITLE                 	Immunotherapy Failure
PR:PROJECT_SUMMARY               	Peanut Oral Immunotherapy (POIT) holds promise for remission of peanut allergy,
PR:PROJECT_SUMMARY               	though treatment is protracted and successful in only a subset of patients.
PR:PROJECT_SUMMARY               	Because the gut microbiome has been linked to food allergy, we sought to
PR:PROJECT_SUMMARY               	identify fecal predictors of POIT efficacy and mechanistic insights into
PR:PROJECT_SUMMARY               	treatment response. Longitudinal analysis of fecal microbiomes of children
PR:PROJECT_SUMMARY               	(n=90) in a double-blind, placebo-controlled POIT trial (NCT01867671) revealed a
PR:PROJECT_SUMMARY               	relationship between gut microbiome metabolic capacity and treatment outcomes.
PR:PROJECT_SUMMARY               	Five fecal bile acids (BAs) present prior to treatment initiation predicted POIT
PR:PROJECT_SUMMARY               	efficacy (AUC 0.71). Treatment failure was associated with a specific BA
PR:PROJECT_SUMMARY               	profile, enhanced amino acid utilization, and higher copy number of the ptpA
PR:PROJECT_SUMMARY               	gene encoding a bacterial hydrolase that cleaves tripeptides containing proline
PR:PROJECT_SUMMARY               	residues – a feature of immunogenic peanut Ara h 2 proteins. In vitro,
PR:PROJECT_SUMMARY               	peanut-supplemented fecal cultures of children for whom POIT failed to induce
PR:PROJECT_SUMMARY               	remission evidenced reduced Ara h 2 concentrations. Thus, distal gut microbiome
PR:PROJECT_SUMMARY               	metabolism appears to contribute to POIT failure.
PR:INSTITUTE                     	University of California, San Francisco
PR:LAST_NAME                     	Ozcam
PR:FIRST_NAME                    	Mustafa
PR:ADDRESS                       	513 Parnassus S363
PR:EMAIL                         	m.ozcam19@gmail.com
PR:PHONE                         	3023575858
PR:FUNDING_SOURCE                	NIAID, NIH
PR:PUBLICATIONS                  	https://www.medrxiv.org/content/10.1101/2024.07.15.24309840v1
#STUDY
ST:STUDY_TITLE                   	Gut Microbial Bile and Amino Acid Metabolism Associate with Peanut Oral
ST:STUDY_TITLE                   	Immunotherapy Failure
ST:STUDY_SUMMARY                 	Fecal microbiota perturbation and metabolic dysfunction, including increased
ST:STUDY_SUMMARY                 	concentrations of metabolites that promote cardinal features of allergic
ST:STUDY_SUMMARY                 	inflammation, are characteristic of allergic disease. To determine whether the
ST:STUDY_SUMMARY                 	distinct fecal microbiota compositions associated with POIT outcomes exhibited
ST:STUDY_SUMMARY                 	divergent metabolic profiles, untargeted metabolomic analyses were performed on
ST:STUDY_SUMMARY                 	a subset (see Methods section) of participants who provided fecal samples with
ST:STUDY_SUMMARY                 	sufficient remaining material for analysis at all three key visits: baseline,
ST:STUDY_SUMMARY                 	end of treatment, and end of avoidance (n=58 participants [POIT=43, Placebo=15],
ST:STUDY_SUMMARY                 	174 fecal samples)
ST:INSTITUTE                     	University of California, San Francisco
ST:DEPARTMENT                    	Department of Medicine
ST:LABORATORY                    	Susan Lynch
ST:LAST_NAME                     	Mustafa
ST:FIRST_NAME                    	Ozcam
ST:ADDRESS                       	513 Parnassus Avenue s363
ST:EMAIL                         	mustafa.ozcam@ucsf.edu
ST:PHONE                         	415-476-6784
ST:TOTAL_SUBJECTS                	58
ST:PUBLICATIONS                  	https://www.medrxiv.org/content/10.1101/2024.07.15.24309840v1
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	1-4 Years
SU:GENDER                        	Male and female
SU:HUMAN_TRIAL_TYPE              	Clinical
SU:HUMAN_INCLUSION_CRITERIA      	Peanut Allergy
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	10202	UCSF-09189	Sample source:Stool | Age_at_screening (years):3 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=10/24/16; SiteID=1; X.SampleID=391458.7A
SUBJECT_SAMPLE_FACTORS           	10202	UCSF-09190	Sample source:Stool | Age_at_screening (years):3 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=8/28/13; SiteID=1; X.SampleID=965694.7A
SUBJECT_SAMPLE_FACTORS           	10202	UCSF-09191	Sample source:Stool | Age_at_screening (years):3 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=4/18/16; SiteID=1; X.SampleID=972544.7A
SUBJECT_SAMPLE_FACTORS           	10805	UCSF-09192	Sample source:Stool | Age_at_screening (years):3 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=10/17/16; SiteID=1; X.SampleID=445126.7A
SUBJECT_SAMPLE_FACTORS           	10805	UCSF-09193	Sample source:Stool | Age_at_screening (years):3 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=4/19/17; SiteID=1; X.SampleID=445127.7A
SUBJECT_SAMPLE_FACTORS           	10805	UCSF-09194	Sample source:Stool | Age_at_screening (years):3 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=2/25/14; SiteID=1; X.SampleID=968674.7A
SUBJECT_SAMPLE_FACTORS           	11927	UCSF-09195	Sample source:Stool | Age_at_screening (years):1.1 | Sex:Male | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=11/6/18; SiteID=1; X.SampleID=176785.7A
SUBJECT_SAMPLE_FACTORS           	11927	UCSF-09196	Sample source:Stool | Age_at_screening (years):1.1 | Sex:Male | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=11/13/17; SiteID=1; X.SampleID=284121.7A
SUBJECT_SAMPLE_FACTORS           	11927	UCSF-09197	Sample source:Stool | Age_at_screening (years):1.1 | Sex:Male | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=3/5/15; SiteID=1; X.SampleID=968682.7A
SUBJECT_SAMPLE_FACTORS           	10726	UCSF-09198	Sample source:Stool | Age_at_screening (years):1.9 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=1/28/14; SiteID=2; X.SampleID=968302.7A
SUBJECT_SAMPLE_FACTORS           	10726	UCSF-09199	Sample source:Stool | Age_at_screening (years):1.9 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=9/6/16; SiteID=2; X.SampleID=123120.7A
SUBJECT_SAMPLE_FACTORS           	10726	UCSF-09200	Sample source:Stool | Age_at_screening (years):1.9 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=3/7/17; SiteID=2; X.SampleID=820808.7A
SUBJECT_SAMPLE_FACTORS           	11457	UCSF-09201	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=8/28/14; SiteID=2; X.SampleID=968648.7A
SUBJECT_SAMPLE_FACTORS           	11457	UCSF-09202	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=4/17/17; SiteID=2; X.SampleID=230656.7A
SUBJECT_SAMPLE_FACTORS           	11485	UCSF-09203	Sample source:Stool | Age_at_screening (years):2.1 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=5/22/17; SiteID=2; X.SampleID=498998.7A
SUBJECT_SAMPLE_FACTORS           	11457	UCSF-09204	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=10/23/17; SiteID=2; X.SampleID=767339.7A
SUBJECT_SAMPLE_FACTORS           	11485	UCSF-09205	Sample source:Stool | Age_at_screening (years):2.1 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=11/27/17; SiteID=2; X.SampleID=767492.7A
SUBJECT_SAMPLE_FACTORS           	11485	UCSF-09206	Sample source:Stool | Age_at_screening (years):2.1 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=9/24/14; SiteID=2; X.SampleID=968623.7A
SUBJECT_SAMPLE_FACTORS           	10289	UCSF-09207	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=11/14/16; SiteID=3; X.SampleID=284113.7A
SUBJECT_SAMPLE_FACTORS           	10289	UCSF-09208	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=10/8/13; SiteID=3; X.SampleID=965876.7A
SUBJECT_SAMPLE_FACTORS           	10289	UCSF-09209	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=5/16/16; SiteID=3; X.SampleID=972269.7A
SUBJECT_SAMPLE_FACTORS           	11367	UCSF-09210	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=3/27/17; SiteID=3; X.SampleID=821030.7A
SUBJECT_SAMPLE_FACTORS           	11367	UCSF-09211	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=9/18/17; SiteID=3; X.SampleID=821125.7A
SUBJECT_SAMPLE_FACTORS           	11367	UCSF-09212	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=7/23/14; SiteID=3; X.SampleID=969646.7A
SUBJECT_SAMPLE_FACTORS           	11539	UCSF-09213	Sample source:Stool | Age_at_screening (years):2.2 | Sex:Male | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=5/22/17; SiteID=3; X.SampleID=660025.7A
SUBJECT_SAMPLE_FACTORS           	11539	UCSF-09214	Sample source:Stool | Age_at_screening (years):2.2 | Sex:Male | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=11/20/17; SiteID=3; X.SampleID=767457.7A
SUBJECT_SAMPLE_FACTORS           	11539	UCSF-09215	Sample source:Stool | Age_at_screening (years):2.2 | Sex:Male | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=9/29/14; SiteID=3; X.SampleID=970893.7A
SUBJECT_SAMPLE_FACTORS           	11783	UCSF-09216	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=10/4/17; SiteID=4; X.SampleID=123429.7A
SUBJECT_SAMPLE_FACTORS           	11783	UCSF-09217	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=3/26/18; SiteID=4; X.SampleID=123477.7A
SUBJECT_SAMPLE_FACTORS           	11783	UCSF-09218	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=1/29/15; SiteID=4; X.SampleID=969917.7A
SUBJECT_SAMPLE_FACTORS           	10590	UCSF-09219	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=9/21/16; SiteID=5; X.SampleID=176782.7A
SUBJECT_SAMPLE_FACTORS           	10590	UCSF-09220	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=4/5/17; SiteID=5; X.SampleID=713720.7A
SUBJECT_SAMPLE_FACTORS           	10590	UCSF-09221	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=12/18/13; SiteID=5; X.SampleID=968179.7A
SUBJECT_SAMPLE_FACTORS           	11231	UCSF-09222	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=8/24/17; SiteID=5; X.SampleID=123368.7A
SUBJECT_SAMPLE_FACTORS           	11231	UCSF-09223	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=2/21/17; SiteID=5; X.SampleID=659907.7A
SUBJECT_SAMPLE_FACTORS           	11231	UCSF-09224	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=6/18/14; SiteID=5; X.SampleID=969224.7A
SUBJECT_SAMPLE_FACTORS           	12197	UCSF-09225	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=7/27/15; SiteID=2; X.SampleID=973317.7A
SUBJECT_SAMPLE_FACTORS           	12197	UCSF-09226	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=11/19/18; SiteID=2; X.SampleID=338210.7A
SUBJECT_SAMPLE_FACTORS           	12197	UCSF-09227	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=5/14/18; SiteID=2; X.SampleID=606487.7A
SUBJECT_SAMPLE_FACTORS           	10458	UCSF-09228	Sample source:Stool | Age_at_screening (years):3.2 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=1/4/17; SiteID=3; X.SampleID=659962.7A
SUBJECT_SAMPLE_FACTORS           	10458	UCSF-09229	Sample source:Stool | Age_at_screening (years):3.2 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=10/22/13; SiteID=3; X.SampleID=967864.7A
SUBJECT_SAMPLE_FACTORS           	10458	UCSF-09230	Sample source:Stool | Age_at_screening (years):3.2 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=7/6/16; SiteID=3; X.SampleID=972261.7A
SUBJECT_SAMPLE_FACTORS           	10928	UCSF-09231	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=5/30/17; SiteID=3; X.SampleID=123342.7A
SUBJECT_SAMPLE_FACTORS           	10928	UCSF-09232	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=12/5/16; SiteID=3; X.SampleID=498786.7A
SUBJECT_SAMPLE_FACTORS           	10928	UCSF-09233	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=4/10/14; SiteID=3; X.SampleID=968750.7A
SUBJECT_SAMPLE_FACTORS           	11302	UCSF-09234	Sample source:Stool | Age_at_screening (years):2.4 | Sex:Female | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=9/14/17; SiteID=3; X.SampleID=284442.7A
SUBJECT_SAMPLE_FACTORS           	11302	UCSF-09235	Sample source:Stool | Age_at_screening (years):2.4 | Sex:Female | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=3/15/17; SiteID=3; X.SampleID=874699.7A
SUBJECT_SAMPLE_FACTORS           	11401	UCSF-09236	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=8/5/14; SiteID=3; X.SampleID=969641.7A
SUBJECT_SAMPLE_FACTORS           	11302	UCSF-09237	Sample source:Stool | Age_at_screening (years):2.4 | Sex:Female | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=7/7/14; SiteID=3; X.SampleID=969648.7A
SUBJECT_SAMPLE_FACTORS           	11401	UCSF-09238	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=4/12/17; SiteID=3; X.SampleID=499020.7A
SUBJECT_SAMPLE_FACTORS           	11401	UCSF-09239	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=10/9/17; SiteID=3; X.SampleID=499115.7A
SUBJECT_SAMPLE_FACTORS           	11629	UCSF-09240	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=10/27/14; SiteID=3; X.SampleID=969645.7A
SUBJECT_SAMPLE_FACTORS           	11981	UCSF-09241	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=5/31/18; SiteID=3; X.SampleID=391848.7A
SUBJECT_SAMPLE_FACTORS           	11981	UCSF-09242	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=11/29/17; SiteID=3; X.SampleID=606452.7A
SUBJECT_SAMPLE_FACTORS           	11981	UCSF-09243	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=3/31/15; SiteID=3; X.SampleID=972834.7A
SUBJECT_SAMPLE_FACTORS           	10444	UCSF-09244	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=10/21/13; SiteID=4; X.SampleID=965976.7A
SUBJECT_SAMPLE_FACTORS           	10444	UCSF-09245	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=7/27/16; SiteID=4; X.SampleID=969608.7A
SUBJECT_SAMPLE_FACTORS           	10647	UCSF-09246	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=9/12/16; SiteID=4; X.SampleID=123111.7A
SUBJECT_SAMPLE_FACTORS           	10647	UCSF-09247	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=3/13/17; SiteID=4; X.SampleID=552569.7A
SUBJECT_SAMPLE_FACTORS           	10444	UCSF-09248	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=1/30/17; SiteID=4; X.SampleID=820910.7A
SUBJECT_SAMPLE_FACTORS           	10647	UCSF-09249	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=1/13/14; SiteID=4; X.SampleID=968342.7A
SUBJECT_SAMPLE_FACTORS           	11629	UCSF-09250	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=1/29/18; SiteID=4; X.SampleID=391818.7A
SUBJECT_SAMPLE_FACTORS           	11629	UCSF-09251	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=8/2/17; SiteID=4; X.SampleID=660061.7A
SUBJECT_SAMPLE_FACTORS           	10737	UCSF-09252	Sample source:Stool | Age_at_screening (years):4 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=2/4/14; SiteID=5; X.SampleID=968330.7A
SUBJECT_SAMPLE_FACTORS           	11097	UCSF-09253	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=2/15/17; SiteID=5; X.SampleID=123224.7A
SUBJECT_SAMPLE_FACTORS           	10737	UCSF-09254	Sample source:Stool | Age_at_screening (years):4 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=3/16/17; SiteID=5; X.SampleID=606239.7A
SUBJECT_SAMPLE_FACTORS           	11097	UCSF-09255	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=8/7/17; SiteID=5; X.SampleID=821057.7A
SUBJECT_SAMPLE_FACTORS           	10737	UCSF-09256	Sample source:Stool | Age_at_screening (years):4 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=9/22/16; SiteID=5; X.SampleID=874470.7A
SUBJECT_SAMPLE_FACTORS           	11097	UCSF-09257	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=5/14/14; SiteID=5; X.SampleID=969214.7A
SUBJECT_SAMPLE_FACTORS           	11848	UCSF-09258	Sample source:Stool | Age_at_screening (years):1.5 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=5/10/18; SiteID=5; X.SampleID=606383.7A
SUBJECT_SAMPLE_FACTORS           	11848	UCSF-09259	Sample source:Stool | Age_at_screening (years):1.5 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=11/7/17; SiteID=5; X.SampleID=767388.7A
SUBJECT_SAMPLE_FACTORS           	11848	UCSF-09260	Sample source:Stool | Age_at_screening (years):1.5 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=2/18/15; SiteID=5; X.SampleID=971979.7A
SUBJECT_SAMPLE_FACTORS           	11324	UCSF-09261	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Female | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=7/14/14; SiteID=1; X.SampleID=969572.7A
SUBJECT_SAMPLE_FACTORS           	11324	UCSF-09262	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Female | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=8/14/17; SiteID=1; X.SampleID=123304.7A
SUBJECT_SAMPLE_FACTORS           	11324	UCSF-09263	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Female | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=2/20/17; SiteID=1; X.SampleID=606131.7A
SUBJECT_SAMPLE_FACTORS           	10650	UCSF-09264	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=5/15/17; SiteID=2; X.SampleID=391661.7A
SUBJECT_SAMPLE_FACTORS           	10312	UCSF-09265	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=1/25/17; SiteID=2; X.SampleID=659803.7A
SUBJECT_SAMPLE_FACTORS           	10650	UCSF-09266	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=11/1/17; SiteID=2; X.SampleID=874676.7A
SUBJECT_SAMPLE_FACTORS           	10312	UCSF-09267	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=10/15/13; SiteID=2; X.SampleID=965918.7A
SUBJECT_SAMPLE_FACTORS           	10650	UCSF-09268	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=9/8/14; SiteID=2; X.SampleID=968649.7A
SUBJECT_SAMPLE_FACTORS           	10312	UCSF-09269	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=7/26/16; SiteID=2; X.SampleID=972281.7A
SUBJECT_SAMPLE_FACTORS           	11651	UCSF-09270	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=8/9/17; SiteID=2; X.SampleID=552666.7A
SUBJECT_SAMPLE_FACTORS           	11651	UCSF-09271	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=2/6/18; SiteID=2; X.SampleID=874770.7A
SUBJECT_SAMPLE_FACTORS           	11651	UCSF-09272	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=11/6/14; SiteID=2; X.SampleID=968625.7A
SUBJECT_SAMPLE_FACTORS           	12158	UCSF-09273	Sample source:Stool | Age_at_screening (years):3.6 | Sex:Male | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=3/7/18; SiteID=2; X.SampleID=391755.7A
SUBJECT_SAMPLE_FACTORS           	12158	UCSF-09274	Sample source:Stool | Age_at_screening (years):3.6 | Sex:Male | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=9/12/18; SiteID=2; X.SampleID=660220.7A
SUBJECT_SAMPLE_FACTORS           	12100	UCSF-09275	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=2/13/18; SiteID=2; X.SampleID=713765.7A
SUBJECT_SAMPLE_FACTORS           	12100	UCSF-09276	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=8/13/18; SiteID=2; X.SampleID=821225.7A
SUBJECT_SAMPLE_FACTORS           	12100	UCSF-09277	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=6/15/15; SiteID=2; X.SampleID=971407.7A
SUBJECT_SAMPLE_FACTORS           	12158	UCSF-09278	Sample source:Stool | Age_at_screening (years):3.6 | Sex:Male | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=6/30/15; SiteID=2; X.SampleID=971410.7A
SUBJECT_SAMPLE_FACTORS           	10754	UCSF-09279	Sample source:Stool | Age_at_screening (years):3.5 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=10/17/16; SiteID=3; X.SampleID=230445.7A
SUBJECT_SAMPLE_FACTORS           	10952	UCSF-09280	Sample source:Stool | Age_at_screening (years):3.2 | Sex:Female | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=6/5/17; SiteID=3; X.SampleID=445352.7A
SUBJECT_SAMPLE_FACTORS           	10952	UCSF-09281	Sample source:Stool | Age_at_screening (years):3.2 | Sex:Female | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=12/7/16; SiteID=3; X.SampleID=767128.7A
SUBJECT_SAMPLE_FACTORS           	10754	UCSF-09282	Sample source:Stool | Age_at_screening (years):3.5 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=4/17/17; SiteID=3; X.SampleID=767362.7A
SUBJECT_SAMPLE_FACTORS           	10754	UCSF-09283	Sample source:Stool | Age_at_screening (years):3.5 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=2/5/14; SiteID=3; X.SampleID=968316.7A
SUBJECT_SAMPLE_FACTORS           	10952	UCSF-09284	Sample source:Stool | Age_at_screening (years):3.2 | Sex:Female | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=4/21/14; SiteID=3; X.SampleID=968751.7A
SUBJECT_SAMPLE_FACTORS           	11104	UCSF-09285	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=7/12/17; SiteID=3; X.SampleID=713694.7A
SUBJECT_SAMPLE_FACTORS           	11104	UCSF-09286	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=1/11/17; SiteID=3; X.SampleID=820967.7A
SUBJECT_SAMPLE_FACTORS           	11104	UCSF-09287	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=5/19/14; SiteID=3; X.SampleID=968317.7A
SUBJECT_SAMPLE_FACTORS           	12204	UCSF-09288	Sample source:Stool | Age_at_screening (years):2.4 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=7/28/15; SiteID=3; X.SampleID=970890.7A
SUBJECT_SAMPLE_FACTORS           	12204	UCSF-09289	Sample source:Stool | Age_at_screening (years):2.4 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=9/26/18; SiteID=3; X.SampleID=177279.7A
SUBJECT_SAMPLE_FACTORS           	12204	UCSF-09290	Sample source:Stool | Age_at_screening (years):2.4 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=4/12/18; SiteID=3; X.SampleID=660120.7A
SUBJECT_SAMPLE_FACTORS           	11854	UCSF-09291	Sample source:Stool | Age_at_screening (years):1.9 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=2/16/15; SiteID=4; X.SampleID=969925.7A
SUBJECT_SAMPLE_FACTORS           	11854	UCSF-09292	Sample source:Stool | Age_at_screening (years):1.9 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=10/18/17; SiteID=4; X.SampleID=177097.7A
SUBJECT_SAMPLE_FACTORS           	10497	UCSF-09293	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=7/18/16; SiteID=5; X.SampleID=767009.7A
SUBJECT_SAMPLE_FACTORS           	11854	UCSF-09294	Sample source:Stool | Age_at_screening (years):1.9 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=4/16/18; SiteID=4; X.SampleID=767496.7A
SUBJECT_SAMPLE_FACTORS           	10497	UCSF-09295	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=1/30/17; SiteID=5; X.SampleID=820912.7A
SUBJECT_SAMPLE_FACTORS           	10497	UCSF-09296	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=11/5/13; SiteID=5; X.SampleID=966204.7A
SUBJECT_SAMPLE_FACTORS           	10529	UCSF-09297	Sample source:Stool | Age_at_screening (years):3.7 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=1/3/17; SiteID=1; X.SampleID=820804.7A
SUBJECT_SAMPLE_FACTORS           	10529	UCSF-09298	Sample source:Stool | Age_at_screening (years):3.7 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=11/13/13; SiteID=1; X.SampleID=965696.7A
SUBJECT_SAMPLE_FACTORS           	10529	UCSF-09299	Sample source:Stool | Age_at_screening (years):3.7 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=6/27/16; SiteID=1; X.SampleID=972543.7A
SUBJECT_SAMPLE_FACTORS           	11690	UCSF-09300	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Male | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=1/9/18; SiteID=1; X.SampleID=606319.7A
SUBJECT_SAMPLE_FACTORS           	11690	UCSF-09301	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Male | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=7/10/17; SiteID=1; X.SampleID=659987.7A
SUBJECT_SAMPLE_FACTORS           	11690	UCSF-09302	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Male | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=11/11/14; SiteID=1; X.SampleID=968291.7A
SUBJECT_SAMPLE_FACTORS           	10357	UCSF-09303	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=12/1/16; SiteID=3; X.SampleID=606123.7A
SUBJECT_SAMPLE_FACTORS           	10357	UCSF-09304	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=10/9/13; SiteID=3; X.SampleID=965870.7A
SUBJECT_SAMPLE_FACTORS           	10357	UCSF-09305	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=6/2/16; SiteID=3; X.SampleID=972259.7A
SUBJECT_SAMPLE_FACTORS           	10661	UCSF-09306	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=9/6/16; SiteID=3; X.SampleID=123108.7A
SUBJECT_SAMPLE_FACTORS           	10661	UCSF-09307	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=3/13/17; SiteID=3; X.SampleID=176947.7A
SUBJECT_SAMPLE_FACTORS           	10661	UCSF-09308	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=1/13/14; SiteID=3; X.SampleID=968314.7A
SUBJECT_SAMPLE_FACTORS           	10974	UCSF-09309	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=12/8/16; SiteID=3; X.SampleID=391450.7A
SUBJECT_SAMPLE_FACTORS           	10974	UCSF-09310	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=6/7/17; SiteID=3; X.SampleID=391684.7A
SUBJECT_SAMPLE_FACTORS           	11022	UCSF-09311	Sample source:Stool | Age_at_screening (years):3.5 | Sex:Female | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=12/13/16; SiteID=3; X.SampleID=552625.7A
SUBJECT_SAMPLE_FACTORS           	11022	UCSF-09312	Sample source:Stool | Age_at_screening (years):3.5 | Sex:Female | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=6/13/17; SiteID=3; X.SampleID=552689.7A
SUBJECT_SAMPLE_FACTORS           	11022	UCSF-09313	Sample source:Stool | Age_at_screening (years):3.5 | Sex:Female | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=5/6/14; SiteID=3; X.SampleID=968756.7A
SUBJECT_SAMPLE_FACTORS           	11143	UCSF-09314	Sample source:Stool | Age_at_screening (years):2.8 | Sex:Male | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=1/19/17; SiteID=3; X.SampleID=123279.7A
SUBJECT_SAMPLE_FACTORS           	11143	UCSF-09315	Sample source:Stool | Age_at_screening (years):2.8 | Sex:Male | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=7/20/17; SiteID=3; X.SampleID=177011.7A
SUBJECT_SAMPLE_FACTORS           	11143	UCSF-09316	Sample source:Stool | Age_at_screening (years):2.8 | Sex:Male | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=5/28/14; SiteID=3; X.SampleID=969640.7A
SUBJECT_SAMPLE_FACTORS           	11341	UCSF-09317	Sample source:Stool | Age_at_screening (years):2.2 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=8/28/17; SiteID=3; X.SampleID=230679.7A
SUBJECT_SAMPLE_FACTORS           	11341	UCSF-09318	Sample source:Stool | Age_at_screening (years):2.2 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=2/28/17; SiteID=3; X.SampleID=337952.7A
SUBJECT_SAMPLE_FACTORS           	11341	UCSF-09319	Sample source:Stool | Age_at_screening (years):2.2 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=7/16/14; SiteID=3; X.SampleID=969647.7A
SUBJECT_SAMPLE_FACTORS           	12111	UCSF-09320	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=3/14/18; SiteID=3; X.SampleID=338110.7A
SUBJECT_SAMPLE_FACTORS           	11871	UCSF-09321	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Female | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=10/11/17; SiteID=3; X.SampleID=445447.7A
SUBJECT_SAMPLE_FACTORS           	12111	UCSF-09322	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=9/24/18; SiteID=3; X.SampleID=606521.7A
SUBJECT_SAMPLE_FACTORS           	11871	UCSF-09323	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Female | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=4/9/18; SiteID=3; X.SampleID=767526.7A
SUBJECT_SAMPLE_FACTORS           	11871	UCSF-09324	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Female | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=2/18/15; SiteID=3; X.SampleID=970886.7A
SUBJECT_SAMPLE_FACTORS           	12111	UCSF-09325	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=6/23/15; SiteID=3; X.SampleID=972837.7A
SUBJECT_SAMPLE_FACTORS           	12320	UCSF-09326	Sample source:Stool | Age_at_screening (years):3 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=7/2/18; SiteID=3; X.SampleID=445516.7A
SUBJECT_SAMPLE_FACTORS           	12320	UCSF-09327	Sample source:Stool | Age_at_screening (years):3 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=12/17/18; SiteID=3; X.SampleID=713962.7A
SUBJECT_SAMPLE_FACTORS           	12320	UCSF-09328	Sample source:Stool | Age_at_screening (years):3 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=10/1/15; SiteID=3; X.SampleID=970889.7A
SUBJECT_SAMPLE_FACTORS           	10771	UCSF-09329	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=2/10/14; SiteID=4; X.SampleID=968345.7A
SUBJECT_SAMPLE_FACTORS           	10771	UCSF-09330	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=3/22/17; SiteID=4; X.SampleID=284227.7A
SUBJECT_SAMPLE_FACTORS           	10771	UCSF-09331	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=9/19/16; SiteID=4; X.SampleID=713462.7A
SUBJECT_SAMPLE_FACTORS           	10974	UCSF-09332	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=4/23/14; SiteID=3; X.SampleID=968752.7A
SUBJECT_SAMPLE_FACTORS           	10793	UCSF-09333	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=2/25/14; SiteID=1; X.SampleID=968673.7A
SUBJECT_SAMPLE_FACTORS           	10793	UCSF-09334	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=10/26/16; SiteID=1; X.SampleID=391459.7A
SUBJECT_SAMPLE_FACTORS           	10793	UCSF-09335	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=4/17/17; SiteID=1; X.SampleID=767137.7A
SUBJECT_SAMPLE_FACTORS           	11496	UCSF-09336	Sample source:Stool | Age_at_screening (years):2.7 | Sex:Female | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=12/13/17; SiteID=1; X.SampleID=284122.7A
SUBJECT_SAMPLE_FACTORS           	11496	UCSF-09337	Sample source:Stool | Age_at_screening (years):2.7 | Sex:Female | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=6/19/17; SiteID=1; X.SampleID=767324.7A
SUBJECT_SAMPLE_FACTORS           	11496	UCSF-09338	Sample source:Stool | Age_at_screening (years):2.7 | Sex:Female | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=9/25/14; SiteID=1; X.SampleID=968286.7A
SUBJECT_SAMPLE_FACTORS           	11916	UCSF-09339	Sample source:Stool | Age_at_screening (years):1.1 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=11/6/17; SiteID=1; X.SampleID=176786.7A
SUBJECT_SAMPLE_FACTORS           	11916	UCSF-09340	Sample source:Stool | Age_at_screening (years):1.1 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=5/14/18; SiteID=1; X.SampleID=606463.7A
SUBJECT_SAMPLE_FACTORS           	11916	UCSF-09341	Sample source:Stool | Age_at_screening (years):1.1 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Collection.Date=3/3/15; SiteID=1; X.SampleID=968681.7A
SUBJECT_SAMPLE_FACTORS           	11356	UCSF-09342	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=3/7/17; SiteID=2; X.SampleID=176988.7A
SUBJECT_SAMPLE_FACTORS           	11356	UCSF-09343	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=10/17/17; SiteID=2; X.SampleID=713671.7A
SUBJECT_SAMPLE_FACTORS           	11356	UCSF-09344	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=7/17/14; SiteID=2; X.SampleID=968647.7A
SUBJECT_SAMPLE_FACTORS           	12122	UCSF-09345	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=8/23/18; SiteID=2; X.SampleID=284477.7A
SUBJECT_SAMPLE_FACTORS           	12122	UCSF-09346	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=2/22/18; SiteID=2; X.SampleID=552760.7A
SUBJECT_SAMPLE_FACTORS           	12122	UCSF-09347	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=6/23/15; SiteID=2; X.SampleID=971408.7A
SUBJECT_SAMPLE_FACTORS           	10396	UCSF-09348	Sample source:Stool | Age_at_screening (years):3.5 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D-R+ | Remission:Yes | Desensitized:No	Collection.Date=12/6/16; SiteID=3; X.SampleID=820796.7A
SUBJECT_SAMPLE_FACTORS           	10396	UCSF-09349	Sample source:Stool | Age_at_screening (years):3.5 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D-R+ | Remission:Yes | Desensitized:No	Collection.Date=10/15/13; SiteID=3; X.SampleID=965871.7A
SUBJECT_SAMPLE_FACTORS           	10396	UCSF-09350	Sample source:Stool | Age_at_screening (years):3.5 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D-R+ | Remission:Yes | Desensitized:No	Collection.Date=6/13/16; SiteID=3; X.SampleID=972275.7A
SUBJECT_SAMPLE_FACTORS           	11000	UCSF-09351	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=6/12/17; SiteID=3; X.SampleID=338015.7A
SUBJECT_SAMPLE_FACTORS           	11000	UCSF-09352	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=12/12/16; SiteID=3; X.SampleID=498957.7A
SUBJECT_SAMPLE_FACTORS           	11000	UCSF-09353	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Collection.Date=4/30/14; SiteID=3; X.SampleID=968755.7A
SUBJECT_SAMPLE_FACTORS           	11220	UCSF-09354	Sample source:Stool | Age_at_screening (years):1.4 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=8/14/17; SiteID=3; X.SampleID=284347.7A
SUBJECT_SAMPLE_FACTORS           	11220	UCSF-09355	Sample source:Stool | Age_at_screening (years):1.4 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=2/21/17; SiteID=3; X.SampleID=874635.7A
SUBJECT_SAMPLE_FACTORS           	11220	UCSF-09356	Sample source:Stool | Age_at_screening (years):1.4 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=6/11/14; SiteID=3; X.SampleID=969649.7A
SUBJECT_SAMPLE_FACTORS           	11772	UCSF-09357	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=3/5/18; SiteID=3; X.SampleID=123437.7A
SUBJECT_SAMPLE_FACTORS           	11772	UCSF-09358	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=9/6/17; SiteID=3; X.SampleID=874793.7A
SUBJECT_SAMPLE_FACTORS           	11772	UCSF-09359	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=1/26/15; SiteID=3; X.SampleID=969644.7A
SUBJECT_SAMPLE_FACTORS           	10546	UCSF-09360	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=2/20/17; SiteID=4; X.SampleID=713574.7A
SUBJECT_SAMPLE_FACTORS           	10546	UCSF-09361	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=12/2/13; SiteID=4; X.SampleID=968167.7A
SUBJECT_SAMPLE_FACTORS           	10546	UCSF-09362	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=8/18/16; SiteID=4; X.SampleID=969592.7A
SUBJECT_SAMPLE_FACTORS           	10683	UCSF-09363	Sample source:Stool | Age_at_screening (years):1.4 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=8/18/16; SiteID=5; X.SampleID=230326.7A
SUBJECT_SAMPLE_FACTORS           	10683	UCSF-09364	Sample source:Stool | Age_at_screening (years):1.4 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=2/22/17; SiteID=5; X.SampleID=284229.7A
SUBJECT_SAMPLE_FACTORS           	10683	UCSF-09365	Sample source:Stool | Age_at_screening (years):1.4 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Collection.Date=1/15/14; SiteID=5; X.SampleID=968329.7A
#COLLECTION
CO:COLLECTION_SUMMARY            	Stool samples were collected by participants at home and stored at clinical
CO:COLLECTION_SUMMARY            	collection sites at -80 °C. D+R+: Desensitized and remission, D+R-:
CO:COLLECTION_SUMMARY            	Desensitized but no remission, D-R-: Not desensitized and no remission.
CO:COLLECTION_SUMMARY            	X.SampleIDs are provided as they match with metagenomics data submitted to SRA
CO:COLLECTION_SUMMARY            	so that users can integrate metagenommics and metabolomics datasets if desired.
CO:SAMPLE_TYPE                   	Stool
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Participants were screened with standardised procedures for SPT, DBPCFCs, and
TR:TREATMENT_SUMMARY             	immune assays, as defined in the protocol (Jones et. al. 2022, Lancet, doi:
TR:TREATMENT_SUMMARY             	10.1016/S0140-6736(21)02390-4. appendix pp 3–10). Eligible participants were
TR:TREATMENT_SUMMARY             	randomly assigned to receive peanut oral immunotherapy or placebo for daily oral
TR:TREATMENT_SUMMARY             	dosing. We used lightly roasted, partly defatted (12% fat) peanut flour (Golden
TR:TREATMENT_SUMMARY             	Peanut Company, Blakely, GA, USA) and oat flour placebo (Arrowhead Mills,
TR:TREATMENT_SUMMARY             	Melville, NY, USA) for oral immunotherapy, manufactured at the University of
TR:TREATMENT_SUMMARY             	North Carolina Good Manufacturing Practice facility under quality-controlled
TR:TREATMENT_SUMMARY             	protocols.22 The oral immunotherapy protocol consisted of four phases: first, an
TR:TREATMENT_SUMMARY             	initial dose escalation (0·1 mg to 6·0 mg); second, a build-up every 2 weeks
TR:TREATMENT_SUMMARY             	to a maximal target dose of 2000 mg peanut daily (week 0 to about week 30), with
TR:TREATMENT_SUMMARY             	a minimum dose of 250 mg reached after three attempts of build-up required to
TR:TREATMENT_SUMMARY             	continue to daily maintenance; third, daily maintenance (weeks 30–134); and
TR:TREATMENT_SUMMARY             	fourth, oral immunotherapy discontinuation (weeks 134–160). Dosing was
TR:TREATMENT_SUMMARY             	modified, per protocol, for dose-related symptoms and illness. Adherence with
TR:TREATMENT_SUMMARY             	the study product dosing was monitored by daily diaries and drug accountability
TR:TREATMENT_SUMMARY             	logs. During all phases of the trial, participants were instructed to avoid
TR:TREATMENT_SUMMARY             	dietary peanut consumption. DBPCFCs were done up to a cumulative dose of 500 mg
TR:TREATMENT_SUMMARY             	of peanut at study entry and up to a cumulative dose of 5000 mg of peanut at the
TR:TREATMENT_SUMMARY             	end of dosing (week 134) and avoidance (week 160). Per protocol, participants
TR:TREATMENT_SUMMARY             	progressed to week 160, independent of the DBPCFC outcome at week 134.
TR:TREATMENT_SUMMARY             	Participants who passed the DBPCFC at week 134 were categorised as desensitised,
TR:TREATMENT_SUMMARY             	and those who passed the DBPCFC at week 160 were categorised as being in
TR:TREATMENT_SUMMARY             	remission (defined in the protocol as tolerant but revised to remission for
TR:TREATMENT_SUMMARY             	clarity in this manuscript). For those passing the week 160 DBPCFC, an 8000 mg
TR:TREATMENT_SUMMARY             	open-label feeding of peanut butter was conducted to confirm tolerability.
TR:TREATMENT_SUMMARY             	details can be found at Jones et al. (2022) Lancet. Efficacy and safety of oral
TR:TREATMENT_SUMMARY             	immunotherapy in children aged 1–3 years with peanut allergy (the Immune
TR:TREATMENT_SUMMARY             	Tolerance Network IMPACT trial): a randomised placebo-controlled study
TR:TREATMENT_SUMMARY             	https://www.thelancet.com/journals/lancet/article/PIIS0140-6736(21)02390-4/abstract
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Samples were prepared using the automated MicroLab STAR® system from Hamilton
SP:SAMPLEPREP_SUMMARY            	Company. Several recovery standards were added prior to the first step in the
SP:SAMPLEPREP_SUMMARY            	extraction process for QC purposes. To remove protein, dissociate small
SP:SAMPLEPREP_SUMMARY            	molecules bound to protein or trapped in the precipitated protein matrix, and to
SP:SAMPLEPREP_SUMMARY            	recover chemically diverse metabolites, proteins were precipitated with methanol
SP:SAMPLEPREP_SUMMARY            	under vigorous shaking for 2 min (Glen Mills GenoGrinder 2000) followed by
SP:SAMPLEPREP_SUMMARY            	centrifugation. The resulting extract was divided into five fractions: two for
SP:SAMPLEPREP_SUMMARY            	analysis by two separate reverse phase (RP)/UPLC-MS/MS methods with positive ion
SP:SAMPLEPREP_SUMMARY            	mode electrospray ionization (ESI), one for analysis by RP/UPLC-MS/MS with
SP:SAMPLEPREP_SUMMARY            	negative ion mode ESI, one for analysis by HILIC/UPLC-MS/MS with negative ion
SP:SAMPLEPREP_SUMMARY            	mode ESI, and one sample was reserved for backup. Samples were placed briefly on
SP:SAMPLEPREP_SUMMARY            	a TurboVap® (Zymark) to remove the organic solvent. The sample extracts were
SP:SAMPLEPREP_SUMMARY            	stored overnight under nitrogen before preparation for analysis.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	UCSF-0303-21MD_Final_Report.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	High pH (LC/MS Neg)
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	Waters Acquity BEH C18 (100 x 2.1mm, 1.7um)
CH:SOLVENT_A                     	100% water; 6.5 mM ammonium bicarbonate, pH 8
CH:SOLVENT_B                     	95% methanol/5% water; 6.5 mM ammonium bicarbonate
CH:FLOW_GRADIENT                 	Linear gradient from 0.5 to 70% B over 4.0 minutes, then rapid gradient to 99% B
CH:FLOW_GRADIENT                 	in 0.5 minutes.
CH:FLOW_RATE                     	0.35 mL/min
CH:COLUMN_TEMPERATURE            	40-50
CH:METHODS_FILENAME              	UCSF-0303-21MD_Final_Report.pdf
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	UCSF-0303-21MD_Final_Report.pdf
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	Other
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Metabolon (LC/MS Neg)
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak area
MS_METABOLITE_DATA_START
Samples	UCSF-09189	UCSF-09190	UCSF-09191	UCSF-09192	UCSF-09193	UCSF-09194	UCSF-09195	UCSF-09196	UCSF-09197	UCSF-09198	UCSF-09199	UCSF-09200	UCSF-09201	UCSF-09202	UCSF-09203	UCSF-09204	UCSF-09205	UCSF-09206	UCSF-09207	UCSF-09208	UCSF-09209	UCSF-09210	UCSF-09211	UCSF-09212	UCSF-09213	UCSF-09214	UCSF-09215	UCSF-09216	UCSF-09217	UCSF-09218	UCSF-09219	UCSF-09220	UCSF-09221	UCSF-09222	UCSF-09223	UCSF-09224	UCSF-09225	UCSF-09226	UCSF-09227	UCSF-09228	UCSF-09229	UCSF-09230	UCSF-09231	UCSF-09232	UCSF-09233	UCSF-09234	UCSF-09235	UCSF-09236	UCSF-09237	UCSF-09238	UCSF-09239	UCSF-09240	UCSF-09241	UCSF-09242	UCSF-09243	UCSF-09244	UCSF-09245	UCSF-09246	UCSF-09247	UCSF-09248	UCSF-09249	UCSF-09250	UCSF-09251	UCSF-09252	UCSF-09253	UCSF-09254	UCSF-09255	UCSF-09256	UCSF-09257	UCSF-09258	UCSF-09259	UCSF-09260	UCSF-09261	UCSF-09262	UCSF-09263	UCSF-09264	UCSF-09265	UCSF-09266	UCSF-09267	UCSF-09268	UCSF-09269	UCSF-09270	UCSF-09271	UCSF-09272	UCSF-09273	UCSF-09274	UCSF-09275	UCSF-09276	UCSF-09277	UCSF-09278	UCSF-09279	UCSF-09280	UCSF-09281	UCSF-09282	UCSF-09283	UCSF-09284	UCSF-09285	UCSF-09286	UCSF-09287	UCSF-09288	UCSF-09289	UCSF-09290	UCSF-09291	UCSF-09292	UCSF-09293	UCSF-09294	UCSF-09295	UCSF-09296	UCSF-09297	UCSF-09298	UCSF-09299	UCSF-09300	UCSF-09301	UCSF-09302	UCSF-09303	UCSF-09304	UCSF-09305	UCSF-09306	UCSF-09307	UCSF-09308	UCSF-09309	UCSF-09310	UCSF-09311	UCSF-09312	UCSF-09313	UCSF-09314	UCSF-09315	UCSF-09316	UCSF-09317	UCSF-09318	UCSF-09319	UCSF-09320	UCSF-09321	UCSF-09322	UCSF-09323	UCSF-09324	UCSF-09325	UCSF-09326	UCSF-09327	UCSF-09328	UCSF-09329	UCSF-09330	UCSF-09331	UCSF-09332	UCSF-09333	UCSF-09334	UCSF-09335	UCSF-09336	UCSF-09337	UCSF-09338	UCSF-09339	UCSF-09340	UCSF-09341	UCSF-09342	UCSF-09343	UCSF-09344	UCSF-09345	UCSF-09346	UCSF-09347	UCSF-09348	UCSF-09349	UCSF-09350	UCSF-09351	UCSF-09352	UCSF-09353	UCSF-09354	UCSF-09355	UCSF-09356	UCSF-09357	UCSF-09358	UCSF-09359	UCSF-09360	UCSF-09361	UCSF-09362	UCSF-09363	UCSF-09364	UCSF-09365
Factors	Sample source:Stool | Age_at_screening (years):3 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):1.1 | Sex:Male | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):1.1 | Sex:Male | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):1.1 | Sex:Male | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):1.9 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):1.9 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):1.9 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.1 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.1 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.1 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.2 | Sex:Male | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):2.2 | Sex:Male | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):2.2 | Sex:Male | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.2 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.2 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.2 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.4 | Sex:Female | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):2.4 | Sex:Female | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.4 | Sex:Female | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):4 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):4 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):4 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):1.5 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):1.5 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):1.5 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Female | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Female | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Female | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.6 | Sex:Male | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.6 | Sex:Male | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.6 | Sex:Male | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.5 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.2 | Sex:Female | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.2 | Sex:Female | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.5 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.5 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.2 | Sex:Female | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.4 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.4 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.4 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):1.9 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):1.9 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):1.9 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.7 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.7 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.7 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Male | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Male | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Male | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.5 | Sex:Female | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.5 | Sex:Female | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.5 | Sex:Female | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):2.8 | Sex:Male | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):2.8 | Sex:Male | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):2.8 | Sex:Male | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):2.2 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.2 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.2 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Female | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Female | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Female | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):2.6 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.1 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.7 | Sex:Female | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):2.7 | Sex:Female | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):2.7 | Sex:Female | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):1.1 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):1.1 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):1.1 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R+ | Remission:Yes | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):2.3 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Avoidance | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:End of Treatment | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.3 | Sex:Male | Visit:Baseline | Treatment:Placebo | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.5 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D-R+ | Remission:Yes | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.5 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D-R+ | Remission:Yes | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.5 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D-R+ | Remission:Yes | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D-R- | Remission:No | Desensitized:No	Sample source:Stool | Age_at_screening (years):1.4 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):1.4 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):1.4 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Female | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Female | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.4 | Sex:Female | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):3.9 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):1.4 | Sex:Male | Visit:End of Treatment | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):1.4 | Sex:Male | Visit:End of Avoidance | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes	Sample source:Stool | Age_at_screening (years):1.4 | Sex:Male | Visit:Baseline | Treatment:Peanut OIT | Tolerance_Outcome:D+R- | Remission:No | Desensitized:Yes
12,13-DiHOME	12282672	38239141	13572455	8920723	14869058	4844053	13413167	7543618	5859388	10503758	2856962	17902418	24374868	10956415	13722411	20622234	13567751	3937889	20991539	10378138	13936850	10562538	15628465	10098865	16150392	5594536	36532493	27192564	12757951	8145088	4397008	24652273	6475389	14445700	27829959	11271929	33703047	4480200	15010811	15500414	7928521	17636399	39039173	8737593	21393074	11671726	18244050	9000954	18161035	4114538	824280	22998067	22281231	31322794		6016404	5290624	21094314	25220780	6955599	19006990	13880096	11509368	9878121	10880690	1652972	18047026	5640177	69288579	27787374	24879068	28797820	2252123	28401171	11938916	30940395	15500555	37929740	13785357	33538269	33456862	4964142	13420784	24623115	10307911	8988159	28030313	127648346	106708043	9466675	50593777	8361329	21489696	29621299	53710667	15126380	6997176	11442738	5724719	1055749	56787605	4975275	29067555	42258902		50481998	3014850	12689487	11077183	44161347	16560771	17059192	83635559	20457352	31025741	47241252	18083325	9696410	4762541	16078661	2075744	381590	27571996	5179434	23396301	35887493	31754051	14740180	76430850	12641909	37590743	9745873	39814579	20950069	18244493	8933292	3888036	35120348	15649337	15250410	6394032	6080943	37583638	15276342	47031028	20484294	2038497	6904405	9186762	7959467	32981104	8689244	16626129	13616759	23784481	5829359	15249758	19908633	6339431	7177414	14603723	6903681	25182536	13656344	12531476	37094020	11400862	21113205	6773224	9217264	14129086	24994262	15536157	14763777	36113947	6506220	11410556
guanosine-2',3'-cyclic monophosphate							105622	48365	307201			339275			89968		131220								64146										128539					93942		103593														168999		47760		113973		306730	147531		147752	45472	32151		40334		52730		49519				45885							65384	80132	39416		65720			285967			51814							54906					52849			56743	115383	77226		416745		84564	142065							134808	51598							54282			141278				54088	41559	41500	95039		71246		144666	89795		195878	213177	106478	178609	56518									52987			63215										97844	174232	84183	
uridine-2',3'-cyclic monophosphate	35479		114370	78125	52750	204919	204160	134408	432019	134615	55984	154069	416131		259618	214122	145498	1303637	104739			308721	54812	29057	564462	169948		68931	143573					112611	557969	164127		121758	219999	183820	154745	123278		344035	101290	162300	53132		77165	165577	192262	681323	146185	308099	94593	375776	190748	434337	201427	583881	285520	963776	233364	132424	471153	663316	101353	486971	98391	273972	219218	165339	93267	275469			322322	123913	30837	318872	308263		126480	131556	311190	110332	176925	203289	172743	342225	139302	478367	255168	94162		519207	35360		556084	74031	511649	87914	1654725	420230	201642	649210	109041		602668	267396	1020473	92217	662206	125550	233259	321513	89764	82449	210317	152643	305236	273763	670572	264216			93597	159807	226585	265242	172939	2633376		786615	87230	26537	702661	446225	171806	167170	93710	161480	655818		185050	190722		1066500	1109800	2130352	229555	170145	241566	276363	300303	392877		99547	234367	124268	59304	630819	55294	180579	158759	145838	282526		113548	58641	39999	204185		196425	259986	1133952	73032
kynurenate	2097569	494976	3355275	3566994	875751	1132749	4059311	5204594	3606348	284886	1003594	2327914	303758	3926053	6969648	6032360	7157756	9114914	750314	3654936	3571008	197734	178746	8405910	1158969	1271610	3009007	5861352	3953647	6711002	298566	35339	626930	219415	3010484	725061	4455070	3880133	5378777	340172	5845646	673430	75865	102973	3044906	5672538	5804129	1213520	5472211	311691	178209	676747	311800	200106	146404	1091891	3738136	1610867	365677	5864529	1697583	668427	1723099	79375	4374880	1208501	5861738	165769	2123910	427248	3820801	6535820	7142866	63980778	6533011	1927081	471216	1790036	2850298	380759	529390	4867359	6690916	4076835	4364405	5697934	170641	186943	2206533	5519673	5412180	483479	355503	8403042	4140958	2001163	2490573	1793222	1610661	94990	486781	227216	4841686	937257	3558773	4813267	5855098	3720120	5781084	4593819	5509373	6933871	5283935	57397	2923684	3287763	681388	1017135	3349449	1170982	170646	1580451	1620972	2208554	4080898	409657	512146	222637	3182722	4749103	4860209	5901438	4408734	3611325	2414750	5486372	4699246	2727301	1684112	217387	7156143	2788990	7341946	5592438	344198	6077351	6428124	2397329	1894933	4426860	1243695	590855	4573496	177093	288759	1405439	249268	1524500	255950	6756522	3556664	5188665	350492	975856	812139	527477	1010686	6757867	8063674	5354831	6382580	542833	345280	745486	1571900	412791	269447
cholate	2234083	5415455	3008748	2248326	142104	874760	15104940	6531494	740953557	803683068	3222928	828538451	67922741	3717732	200995795	5349724	4239471	17990419	471853673	10026716	180285315	4026738	6416055	28486633	6820033	13481381	1541716802	10592600	672354528	66640094			4227363	5013005	284772033	11374890	98099182	5806638	11462955	81692616	91889719	18073153	71822291	16734236	354277423	12407314	27057490	13951027	394474474	1881166	4261853	5293755	31221168	49819458	1967937	1546256	719045	11770976	8507776	60100919	2431935	226489589	231336192	2946897	24759647	11036226	14164853	6592044	49706278	32719374	18602552	554308902	196260253	131132697	72131406	83836332	57546429	545603122	3591751	9101658	9715088	4131999	13395740	52041482	14226817	8971661	72413518	2305311813	336962447	24050871	6996625	28769491	2589230	31991611	282052514	417907824	656191733	518247595	725510117	767264655	1809450263	874710946	753259766	422414655	121122051	1615428244	5316641	311178113	8091576	27354724	255557285	3824260	2300435673	17427486	832633178	831131721	117882889	3574531	6555655	121439483	17101894	17951433	8923441	93980992	19520923	371288540	1153466699	10898798	1586945778	835952534	1576010792	696859891	285056836	708365473	246688750	626424401	1189221947	1262562318	361848394	507084103	533584444	15526487	124130456	12497722	250387178	47703342	1437014	272295845	75194476	1384880929	315541744	7410809	313009552	15351108	4391947	234619829	4294603	11620135	52199058	34352364	360540850	409655463	41201950	84688663	216603025	8729120	15273112	1577883432	116024661	22228743	426961518	76601780	12193114	65842340	110869114	6873367	584516351
4-hydroxyphenylacetate			74596	276042	672101		813814		181676	3071306	375884	489656	217690	281706	918861	419087	469701	442736	596208	263032	385257	141253	128194	167186	76300	156160	752248		189169	92907	416035	281729	332281	301552	340787	282105	214638	142404	140834	89729	345390	266439	296424	280381	970436	689303	1574093	536950	151539	256537	177296	18290714	176054	616733	730638	135061	182377	560819	123202	277919	158368	997684	477846	165449	380130	157564	389629	150788	909889	181766	743521	25007427	1014363	138970	1083315	3113571	429082	991769	106317	453139	665659	191217	525354	605590	899111	515379	6855686	11379238	5304774	362208	904039	106189	125014	257728	1317902	117880	1459933	3087140	243889	46363774	1101807	3603870	1946026	933157	402542	601374	255023	640601	350871	252847	819211	382359	340158	164332	2796782	475145	1510097	124548	153389	532840	211338	685972	612515	272574	1189043	381490	1488729	541622	2328929	732778	601360	1037481	5859238	116805	487097	11038357		5543759	190977	694081	9293556	2850821	305664	233198	2179148	672381	105137		875079	3344892	4775466	316804	241151	172565	484227	301950	148587	339505	240052	271687	369220	465989	443347	1901803	588561	226883	235099	31463366	2064624		260945	797504	251407	241949	263381	385930	1333279
hypoxanthine	6605424	3790058	4200738	11018165	6485673	10405913	8062766	6965631	5220223	3864865	16099502	2655727	6100818	6276026	7443033	16099833	15825528	18138290	11481042	8338845	6765215	2148966	3872566	5420820	6803444	9636529	7235597	1866842	5202656	5368605	6335783	4140365	3048444	4590723	13436522	10909358	2239996	5815954	4508380	9360394	13006250	5768663	4503271	13323381	8746867	7053076	5430448	2109303	8055313	4898032	7763479	8675369	6956838	9762729	2443144	14096863	15166194	7906182	4801198	11636114	5697326	5566062	5786300	9198073	17717874	16381232	12037508	10402653	11010419	6730176	5699815	5862391	4892711	9626582	7075416	5440163	6273181	6974779	1298735	4587306	5690767	4772743	7568206	5292719	14399468	15386578	4729364	4524366	7357094	8724338	6250315	10421014	8445235	7216326	3994476	6205458	6527697	1091345	12144159	6898788	7706855	3140324	8447154	3801083	9319049	4436800	12501542	9719490	14859248	5815862	7616909	3715426	5382731	4605769	7594301	6889179	6926794	6187426	5292276	6739508	10049788	7679372	17121306	9227199	5356186	7553134	6471817	7109570	6625319	2939033	5384912	10056313	4899790	8116699	2805724	3825961	9398145	9647955	11291479	5555374	5223678	12500102	11554087	5559875	6683758	8819852	2863079	5217893	11687493	4619488	5334664	8429788	5266227	2580611	5500770	2381007	9417963	14119992	3886692	6727838	7065299	12249285	3870672	6120092	5667680	7769314	4544536	3268839	2323504	4479578	3767127	6618472	7005280	10580419	5585823	6123573	7847104
9,10-DiHOME	8959179	26737090	6718955	6676936	11255367	3426246	6942887	3544580	10953624	9168557	11676141	14450998	16096553	7566176	15373605	9651054	34675869		11080835	8277604	9386049	5987865	14990756	6734656	19927032	11009216		11946432		8127993	9125353	29041610	21272552	20017531	26044385	8811174	23575102		8128046	13124150	7890279	9792867	22745366	8282555	12726860	5439170	13711791	12751745	7642136	2161909	1820949	21829824	23964069	22212856	11075139	12346962	12456923	14142033	12358858	8824734	7489458	12595963	16787859	6657465	13280772		12747415	4222282	60599853	17536831	11654417	29771645		27667762	11196506	19770022	9317573	26492943	12873812	28130706	24447309	6700516	13619835	28344372	15929904	12436780	12379976	94648321	42458645	5877903	33249862	7478420	8023854	17069897	25403453	9698069	5459188	13635161	4937790	6860681	92190712	7790072	24232753	26299534	12428931	33341398	8695758	6386616		24347075	7427036	13863485	53415167	14496030	10655748	46130438	12885030	7044485	2007363	11094567	29052099	18327882	29965686	7757404	15177320	31462262	24870794	16822799	58788235	12573541	30718241	10771430	50079411	9872534	26755089	7041909	9501876	47224198	12010058	33580772	10410542	46558346	21270041	23698758	44430667	17170856	17187011				29304043	7254532	16732022	9634350	12202614	5690605	19825591	16826163	2719590	20154515	33656828	13024298	15303118	30371187	28653623	26740222	5753206	18191903	3095758	6676037	8424372	17904640	8405989	9165425	21545922	3397099	17081858
linoleate (18:2n6)	107509904	1734979663	501972713	2720505266	1874887984	710582933	5995180701	4350403290	1146257079	162161047	5704163863	4489069348	6359250444	4657612992	4060330070	1127023769	2340558626	3098991514	701508906	1136461910	1200947694	806627513	7035972756	2534410448	952117581	394484547	3416264723	3158002472	4247260960	2789207503	490001943	181471410	149109839	1650769296	1741096456	650521683	2595656284	2308364817	1841670722	1535999528	5794679020	4654830640	585731664	2540858929	2027431262	1949338401	6289934630	4194173180	3734496136	3562168215	408302896	13752741660	9863479112	1078160149	1885686280	3831740660	1728339469	4524442513	2907097992	6095697348	915349264	12014564513	6440049016	4657884267	4062856504	4128036533	12967426360	2069103628	2446136402	1568079308	2943294664	5336648201	2802711436	2647224822	1612562611	2930384327	9523985576	3124612288	2547034363	2362842420	1360854300	6851597142	335119538	5714071314	9243660282	3427321540	11785485675	2002428115	4086373356	1075319491	1196328504	1639760435	6889718306	5340250317	4192343089	2360606032	2553689832	192624130	3177616238	2634823297	12782922032	2385362860	6156236423	10295509303	382345716	5456152336	1985835769	4800552859	1152486174	3677790333	1539708883	354849649	2980479780	1325563798	13074505191	9184686091	1527454739	1812544489	5742926832	4397025673	12372803111	9520373473	1181685799	3560240825	1825127931	660447068	1152474694	3421636808	855932424	1507154221	23216598058	1137817985	776763008	1152169547	4679345529	825485960	4196110561	4009388740	2711845964	1150187452	754682246	10248829407	4629051683	4795257544	5832161211	2938304801	556611642	19358213588	18575594684	4328963574	3096357043	1092308119	517585070	4728081733	7160694365	197993125	394972632	2213273948	11439462882	7658370258	6571253064	2073766158	820535874	8321413327	7581555972	7235317392	807059204	2612028605	773678622	1126528003	689673391	2006609840	2165058408	2197309642	312540782	5959585122	1029467226
laurate (12:0)	78646053	179180129	173252559	46978041	486934080	99349460	418240688	3362686937	29188247	256275652	19265271	5709514	233169225	122862506	206879289	78232698	151780774	230722088	25945153	77257134	30858705	49404546	10776083	19195033	5734813	15791060	6710461	145347850	7711708	8847149	29253093	43303693	38886314	356384502	25192981	10133401452	221911029	273787176	14712947	6822259	45510542	11407391	138219057	235729090	146688355	10017488	7266725	18223322	10514257	72461750	39664718	549458272	1006819144	5452247292	257445395	77321046	150350214	402419501	1092258120	124869148	4995621748	51644750	35691205	139692200	20726350	1724539799	34376082	165496759	258444314	229779667	200085459	875000234	21205144	113386683	520791540	117323190	230350480	470249419	235384467	1998529223	202802001	93742612	173254405	99284140	35517742	101094451	51673769	50202634	49222797	57407458	6040862	69904837	1190838240	5052962707	12825400	490401289	9828943	8399984	169011531	672283166	25717352	257483820	556730563	295741658	81474758	151131975	24948092	59651112	178254071	198947992	289950842	265265727	17139030	131900774	130125039	116620318	222768319	161794797	226367863	122131890	134892649	524470249	17135649	15494260	10771059	133325608	56446334	61047259	462789220	219776091	165588899	7637084791	33046684	1868182327	377649751	184686131	8218078882	106834671	111346730	7181731259	35346614	1243410450	78213254	60315381	8894306	11701803	17154508	72928945	78681314	227837052	65437624	13043102	149713386	246850004	41502007	378456672	47113381	26800884	3266803554	86958450	50615901	899181791	115658872	7518947562	279415772	42465794	117874704	569006964	31189467	84144614	7823465	151139256	98345343	73589196	75605359	132242154	223962813
N-formylmethionine	588064	687671	1172442	1008098	789447	637427	1263797	1429265	5929458	5602185	936569	1590508	1712155	1075783	1649263	1765143	1242985	2659304	3334048	3403912	1153470	864227	490651	2058967	847166	605041	3615016	438207	2657444	1866957	1660966	376612	1634884	708092	2247490	3222811	824169	469486	1162953	1872747	3842033	3026486	713747	1573066	2889591	1606647	1976822	2041562	1653165	1836826	1694133	4272441	987493	1622851	826889	1307735	985348	2766898	1716396	1215949	2416183	2536642	2674572	1663920	2458327	1060850	1715748	1735763	1554619	5556019	2513800	2036032	1392610	3258587	1327885	3140789	1529776	3764843	995552	1104093	1056562	2873261	2314579	3665552	932979	803267	1986321	3143446	3714253	2312240	1531607	1323218	1514397	1143959	2507489	2694571	3428329	644617	3006399	1962355	1935680	1771127	6235801	1969490	1689387	6793281	1489929	1133084	3286636	3393662	5483186	1197109	3638314	1096088	2405604	5679756	1940619	1965952	2577636	3332188	1499042	1595090	1771896	1124902	1352059	1485736	998082	2126897	10128710	2292430	3474800	1646890	1280275	3790722	2389801	3717769	976140	3032920	1243004	2446884	3378629	2939558	2459236	1997851	4058938	2713708	816964	3281163	3977872	4581633	2705284	3708546	5153128	2008734	2054443	1893165	850342	1618499	897043	2913917	4164628	3814854	1216829	2841677	2195602	1803776	2795971	3816687	4502563	1794462	2303590	2537207	1056019	3581847	3883242	1305541	2706073
3-(4-hydroxyphenyl)lactate	971130	970051	1046840	4371394	4486044	4027587	1149296	2347494	19984208	2095438	1386842	5945937	4442327	2346970	4835206	2525598	1887201	6716770	3368465	4828513	5761583	1785737	757356	952744	1477511	1132509	935482	341596	138170	2447180	46084484	944292	76461303	15647182	1125503	59332267	1099091	3392055	3183690	1948069	11305215	286472	1608813	1098112	2729356	2612082	1656637	5895076	3370685	7463931	1928629	1081714	8042877	3128879	524060	4172284	954957	4049383	2337351	2874785	923721	6093755	30027439	3210831	2869889	3030728	2664570	5684586	6061898	5420868	2626033	6070429	75735286	4472564	635105	1280425	825334	1397576	368229	1994180	2506826	1610299	2433458	3730108	2388827	1636923	462306	2823208	1583654	1692231	1854456	4757209	2321087	5111759	17311764	1027346	3992211	1007222	1505760	1354413	3804663	1527099	14053988	1431036	3154742	6108388	1480313	134784557	2597923	11050604	3591167	15935071	1714598	1170178	2042329	10938571	1515984	517946	8582276	373184	2131812	3190141	7461274	2051202	692867	5910193	18342245	3365151	31810655	1070463	4735998	3249864	2411059	9188128	444407	2596430	1592924	7799064	2649510	2376273	1277900	2336931	2250219	507838	4027002	3516543	982341	145721	23101130	2445066	10047895	577408	3975365	829186	877709	1829231	1914480	6304774	568253	5640084	4924945	1882132	3414726	9496148	3144866	4202576	1410868	959596	3596826	476556	509870	5766790	5328696	1812273	1707845	663786	10035893
biotin	620783	677332	1065372	413821	637035	902988	280532	574201	159305	86532	111641		238684	399284	168256	433993	236483	377930	372277		623706	1398597	891390	1167392	530698	507204		455592		368952	1445826	526114	1466272	1019541	334254	332918	1305731	1023142	746380	514482	616149	496151	531447	541438				164643		782922	685710	792569	643562	839314	1094388	458787	540197	391583	740814	267512	346384	159943	186810	747283	151921	857632	296913	751589	948684	381744	541039	66411	275818	101474			727482	55543	712123	325959	327939	643053	771555	422689	243208	421880	143044	80961	203824	1018766	299242	794328	515453	436568		53092	189250		534316	169378	149863	906954	67399	262246	671187		687722	235719	945113	165556	249928	430870		1229411		56788		708811	774635	325159	273874	305164	639464	743547		166032	177532	1223770		253234	1124330	161297	351918		286449	323538		98245	354076	386140				202759	149343		240158		311997			264715		765610	473780	354236	938544	612622	812623	632598	512948	236607	1028161		580941	829789	1119884	373180	350177	533966	713665	190682	638142	501421	208535	834187	759099
deoxycholate	359414588	2867181298	467089935	214818172	697144194	166171688	1747479544	992764556			244806405	1434722150	1976120760	654286427	325156524	1270010573	122517108	784085961	4141938090	1610497105	2870997655	1309424533	2391052993	1280034595	1604105608	1350724476	1012646480	1877460755	1160191898	3034244625	1187277098	1409215025	1338325224	997092414	702717489	5104132	5104150999	17858175	2614466439	1913997994	1899841422	672142609	3259946803	966252027	144281214	91223888	427081431	2089213409		1312787216	173489564	589397526	2168021223	1681856916	603122023	1116255459	167627343	386285895	291552524	649368488	551106608	1420239058	919695971	2946038639	1199099549	116920853	593793827	408099677	4574140779	2340564224	1187234136		141825492	2633242881	1483996531	1873096512	1935782743	1521554744	1513650015	1890634461	1891720990	2208587433	3325957755	3251226105	93092025	1588094450	2620070828		311246473	1309463973	1839767750	1699233419	1245947800	2770955362		1446051990			3066882993	1026088262			2446141891	4522303581	145781556	2198742895	97245606	956327364	18125977	1160220371	278779281	1105482073	1410501951	3549841791	398732880		1554540867	401924035	838461412	682840402	1009218790	337272870	1230887480	716459298	684966439	2038213783	2956255625	1291946795		64412736								1008830458	1464923097	549074219		686821419	754032267	851087963	905413675	17560158	757875682	236907297	2262834172		1644288231	825848739		2734103155	1632596203	2332857901	905130610	555796147	816591710	2264020663	790358204	2929463207	2647775473	2110350925	892337895	863705727	704986197		1887695981	1824142919	1341940418	3847431017	858587346	1691164068	3085580892	861450511	3352945575
flavin adenine dinucleotide (FAD)	132558	45680	118280	386093		317493		381529	127473	30228	662675	289013	56480	164628	194183	507171	358079	43823	134986	65519	82019		36975	70953	488569	510286	234477	177154	327610	268826	339172	210068	200483		294675	300437		187821	62082	559501	605987	198017	32611	374253	226184	191613	511989	167445	623348	247507	220362	55968	111064	207338	66805	344915	621458	204683	247485	870754	108694	177154	312418	215767	480017	389952	574686	251137	81524	134481	66770		139395	39781	152344	79964	107438	191406	41834	93135	84386	307035	404294	212531	598543	809551	293426	169573	170825	327009	254082	233307	236122	420875	275408	119747	263341	39195	249932	86350	130568	15128		46315	276434	109082	307333	279243	268904	137826	87737	198004	166707	33829	248423	199785	120975	164831	23042	190248	137214	107540	950260	581784	350711	233012	351502	75973	110426	92519	122820	114840	130895	84621	125532	82507	71466	185326	252859	121252	469244	722939	352433	242989	307003	533614		205170	180757	120650	228737	496302	74746	59782	187459		29241	501888	34721	673399	712191	413535	143316	506133	82272	216861	123132		121246	111569	128905	134372	143625	100569	40986	101011	33466
glycocholate	392482	2778923	1757320	556141	540462	216293	918437	1796728	2451257	5048244	3436895	7726828	1662782	674936	437022	2166629	1059710	2753578	28725452	1043509	18971568	356388	378708	298913		1240316	1728063		21030143	782632	667384		848445	1879260	755122	2768994	1173864	1293350	1100690	5812667	6550656	4530322	2362257	611667	1048079	3089314	2325111	2380506	15324837	838158	899836	1656299	829621	3488169	1384389	1268450	1635418	2287460	2992587	677622	1013956	18508839	13392150	981371	2205770	1916336	929271	1920248	1934266	3247672	3936105	7033609	444828	3323030	861542	5689312	7572318	3904456	951471	1453108	1458643	573684	831433	2115307	633608	851647	267683	943804	1837520	1399557	1527545	1438905	560185	1605660	6993536	3909999	8243537	2799752	3963366	744526	1675172	2375039	3845754	1163570	28002741	1994122	1462843	1104628	3150881	3632952	98241854	1316418	5565374	1103800	15583030	7532569	2483171	1066225	3760819	1894959	1046067	3976028	892861	5059674	459662	1734029	3609927	2477734	4288223	2717070	4908676	1526136	577834	4863470	706130	15320775	1255693	1986551	1004460	652031	879064	1081395	443441	1190872	33101389	14203468	826299	69824856	1281591	77855548	951324	675724	1896991	2252088	791799	3923625	373439	444401	1912109	775917	627949	4954284	6316732	4204896	5606484	511487	1988377	39643210	26590851	4339992	38007634	1939599	2263977	11930485	1458321	1419900	39779081
2'-deoxyguanosine	1930252	1109086	2931914	3730352	992814	2148526	887683	2664565	8101019	15871968	765612	1503712	5521737	4482457	1728634	1974183	947282	4258704	8211938	649395	432424	2296009	1199820	8884955	1903599	2037065	14099328	246100	1621407	1473648	1289946	1050566	2144056	555181	1505166	1198824	1163266	786216	1149217	1390802	10410056	2921609	1325714	1569531	2781538	4718108	1889294	14333239	1639006	3604793	1696790	3235747	646160	4720381	4378184	333043	932886	5262483	4986722	3106952	6211925	9120567	19890501	1569220	1532248	1430505	802314	4273536	306497	2119875	6973494	219706	3330592	4176715	3080782	11990737	7644271	13638010	3529082	12301691	11283061	6322021	4581923	2077912	1541766	918898	924464	1777959	10109338	12308690	4815074	5564140	5859648	5375220	2564214	13740441	5366628	2308933	9158284	643134	8156682	3691660	5550878	1505101	1733162	5709306	2280785	2581048	4280192	4327343	18186106	1222270	5505214	1317126	4375337	5508880	3388363	9904009	20293244	17660169	2008424	1912167	1284674	2850908	1298474	2632865	819251	2412086	5295117	11103818	3193371	20356196	1009433	1866371	739674	3778578	1874181	8773053	5353132	9309442	2376513	2281676	2867526	10611511	2203489	2069015	119028	5768445	3684199	14938626	4326694	4626971	7930099	5421848	16672923	7689336	1263639	1505500	2921723	3226598	2244275	4255936	2353551	4174757	4089809	1508652	6996312	3450610	7637173	13253813	8006258	1816497	1407261	3851704	6560931	22918867	3061682
histidine	6360215	8769817	9665576	11318092	8201739	14596309	14574779	9208211	4774556	21522003	9087025	7655296	14315598	11188343	3878896	8966469	6814307	19530792	18833866	11312967	15264988	13487921	10478296	15050678	7598960	10517640	10479631	7182529	4247266	7948928	11591813	10238860	16480292	8780606	10923667	10884860	8735374	9797259	12978226	9158434	14010824	12477061	16810380	21822786	8446272	11358542	8008285	8926987	3942398	14145472	5978567	13668504	11535517	12635362	4450613	10442963	8016814	14548012	10166274	5070743	9342243	10619029	16560766	9657859	4502261	7035012	4006594	14789276	9224247	16433075	16398373	15624538	6839218	23533610	9389036	12943498	8848269	17332103	7037624	9494720	10120841	12883379	19868105	21845484	4606669	4303496	7714560	7388983	8558783	9969827	12093698	19540163	14429325	16361943	6271815	16363427	7563749	1288239	21882695	5386768	17761546	16632296	12377368	9984336	9365759	8805165	5304816	5315287	14381049	6840356	13044314	20466355	7382414	9718665	11574251	11080678	11530754	15775993	6146627	17362425	13272128	17851439	9943362	6885607	6497633	8745625	9008034	4671317	9012341	7461895	13321729	15904186	10402772	10642363	9334219	12982629	10587887	21697241	17861794	13393265	7769333	8646616	12626257	12400150	7806459	5955492	3383968	15058129	16891806	13656272	12872359	10712901	6304918	12041007	12650718	16093686	9416833	9789184	16132267	9342913	8774037	11557992	6698066	10651297	11362884	14765086	17754832	8458763	9726813	12596608	10846823	10528163	10398429	12518036	11751961	10023218	12260784
inosine	4601408	1761102	2845251	6203418	2385859	3748792	3107082	7610950	5010064	7286661	10881838	9625904	13382702	4287053	3006498	9519212	9894847	17096531	11587887	3334919	2783260	1325225	1976361	2404164	7381572	8719953	2661394	254364	5734709	1676053	5610013	1239607	16728468	2422935	10908021	12540468	827880	1236149	2030770	7474752	15168217	4428719	1502987	12914263	3737608	9659555	1784659	5929941	2576614	6468695	10022980	5346190	7210140	4608690	752802	5709888	7338000	8164392	2730144	24877038	2360157	13458575	20517197	6957917	17898875	10371669	8689709	18085940	2977726	3556257	4328940	1364040	2738615	17300512	1925693	12757759	2069021	9049958	182406	3019607	3537878	1917491	3457742	6640818	4341015	10016672	451624	1161562	6833769	15506633	2140475	10546413	8427430	4043931	1514962	20580781	7351238	139024	13858768	1877709	2493229	235581	7590490	4289484	9030893	2093365	14589812	3494008	11443313	4838340	15252211	1401026	1866525	1898680	2594692	4741661	1787560	3073532	35922910	8960790	6401533	2661184	16962931	6970311	1152756	1907765	2046276	4008511	3106748	4425539	1294189	10464480	2153529	2288151	952615	2539730	5318705	6143398	4785294	1020975	3470278	8521810	13884503	2786133	2342919	6794860	1234841	9213101	9395441	23033302	2587107	6241963	9556159	1480453	2902830	3278240	7638313	12447030	1330244	8123003	4259196	13616924	4549066	6162524	3806707	3723366	4094774	1424835	3164079	1484381	1387229	1843003	1435160	4245211	3691109	8068628	5254378
lithocholate	874444187	1612219463	729581891	304080762	986085903	275414043	923764375	475266961	1608620	2725213	184672694	258826346	982929490	354516376	504527487	857401935	672691113	1011657370	2506538154	949768943	1729234876	707377670	1714850218	447193228	700804018	685272096	230430649	350683960	151726950	406889172	1272447105	500482305	1172564781	1272142990	525310859	46641456	4560123728	45824910	1749970852	1410881939	1044568739	454116095	1531257044	488293072	71302725	506355118	484135348	1213850108	27855425	1080732449	331030331	543189978	448253474	593985824	294452113	900222913	555820906	674117112	762307151	540764207	400537303	278703281	285386274	1281734588	1193912250	165663153	572990906	1230601337	2457565498	1002304331	815194798	20896893	62400849	1524258741	950528998	663351317	986640353	876749288	902550288	883594424	918086208	1647469632	2384097925	2292670819	614059399	1359056001	264203158	22350201	59840576	760715875	929547821	856364741	399841523	1312520753	87156736	253178610	2883101	1931451	2077841941	83135772	965898	9450946	576445732	1258189244	275306328	166610426	363502620	388402929	98529269	435523147	268805865	780343761	204461161	1763861811	154411427	125515079	651599571	593426419	1083205244	279955615	927891366	209476952	1239081499	817475600	166261107	376721456	873760379	370446231	2689476	14298966	1057962	12084644	5417149	3748585	2414611	2162452	2132798	213331693	927473056	86419197	977478	641287869	435281272	546448890	308459200	82585954	1037378959	79814670	1089186843	710633	440012836	344296651	2148211	1732977043	745064024	943748858	1030999789	883287074	635620102	797523605	311833825	1460446525	2043804806	1326782900	463745166	826606614	744590881	1126051	966290211	1441726669	557539959	824813649	225548661	1091038780	814131843	380732137	846102052
malate	64811993	20075501	45462218	102997906	40987961	88023245	77127096	52516447	11410071	14220765	182538154	52168440	5463786	115443863	40149385	160526475	118492082	38705812	38674663	29671308	51974145	7607259	5345577	7429596	96821653	127571974	37734100	58521792	46197131	60286943	37529513	65052015	18799542	14386113	47246347	115790211	3660250	93511047	12549988	126405271	118101481	13346524	25755578	145056550	40550385	125222396	36665473	27038581	22353161	47100942	75825601	13690120	31049537	49758053	8607639	35795240	22597145	27589007	34866413	117212816	14666806	21532562	23476269	32966722	126891351	99504590	93666622	62423604	69595367	62874497	30456100	9681243	16779445	8053916	10785924	8102909	21459136	18993080	12968071	15104826	20097711	51907340	88447938	49388907	157437438	166829096	94211098	119009379	30159895	44857179	128410572	96587970	82246453	105451153	39505394	34465821	55671133	7196307	69092513	41849011	45777548	4230501	17313459	14225187	80916230	34007522	67305587	27635796	98428358	13741187	9658239	58448178	50167016	27913070	64863085	54768077	46573761	31889457	3854926	25862060	47404545	31129971	154309247	132145777	41126154	57380360	135889105	33783527	18807478	11892165	12104404	19004205	40087519	35499280	40563223	16039417	19406742	86371619	107890734	19867498	33626443	116404736	58448371	6371671	49029959	68661826	115506547	49109027	63574058	5595296	53546924	64998702	18205220	4724404	9062067	2736722	164767332	133517921	2287070	124866805	109888390	63590626	44774278	131416376	19423865	87407523	11991804	9557207	18564784	36421801	61102415	39429028	51692403	32454198	26482503	5394169	38751146
palmitate (16:0)	1257686908	6263955781	3575457277	7942354748	5042609318	5255472953	2246174894	4028981360	807652192	325614744	5915700516	2314967267	1933408049	990351551	1559498265	633017342	2186426141	943320403	1107917597	3395532322	3464742796	1793807382	3057838118	1260696578	3328628879	738093037	497924157	1860283602	1918318123	665740087	2119784835	3602513484	670227984	1938309006	2716476110	1423440463	3305009125	10745194840	2198692415	2510400003	4057714157	3300387750	2130676062	7327687237	1885065754	1696816824	3310433204	1567242883	2409128897	6243718442	5573811515	15024308798	4193430105	1267354504	4073523733	8682751361	13421073041	8154287493	12428551360	7945158996	3177005055	6998465569	3818063058	13263753388	8603326033	25028934480	10609335128	16438682347	3146678579	4180594876	3910378789	11162288429	351028633	1601957439	1675499854	2488560868	1970938591	8280257390	4817720755	2308508090	1950175847	3864513451	1255942001	3928189055	9046371256	10088571879	9523696194	9049300414	1680408028	2796049042	2747338731	8517141616	13703851058	5218418782	4864659215	6388667153	2701294214	902527478	3163203559	13630657447	6549461095	12060823553	16609386585	9614502083	3359936490	2974908545	4632336571	9265279803	4848829189	1575467449	4219819237	2854525808	2255353591	14247493276	6424910853	4137284715	2059472491	3286631952	5036890129	1072792343	4465244772	14322476846	4809371178	4037902003	1550500642	987212449	3204385302	4370196628	1774007653	2472946232	5280421374	3857616990	2841687607	463228518	6395354875	1318142407	159734550	625011710	4998347732	1932571486	700722002	3400622382	2391510372	812519651	4615815890	1556933294	3156598849	9768640850	12103759095	10548324983	7397334349	3417809968	1684027279	3853574315	4881846521	1547154955	2971679641	4988795489	11689312725	3638247073	1225691024	4939885055	4283874883	1988281421	1823593937	4734048742	2204688929	626315034	1086187014	1211943256	1009032761	2424158788	2613857569	1077401556	1538053320	19908308977	1812657222
stearate (18:0)	720370829	2449285523	1578073676	5220508661	2466199962	3218759258	1094126440	2308804259	510961186	175143850	3630884785	2037005896	737722360	407264926	988250644	364464577	1924310898	364013577	589656618	2103830406	2004758989	1075748007	1606763513	546072721	2640432435	705008043	233314221	657434561	1054593571	522903378	1729876826	3446073916	726829540	708408020	1638255603	698110999	1666028286	7543719098	1551858846	1180810598	1105646760	1451960041	1157092929	5412132992	1215291506	982954032	2670857707	534160097	2583861233	3030147789	5534688127	10003030130	1588043629	593328889	3069528807	9719100981	11981573171	5170671494	9475451412	8940126073	2666912159	3150081442	1927610654	10939030724	13116524319	27941594514	9763358647	10637614439	1288370686	2121235518	1874862743	5569027905	181408508	557818513	883433688	950870761	594807458	3296177681	2447651298	1045760907	950167114	1702243182	765171591	2172199860	10705799983	9800164750	7697426592	5264875543	1095664986	1763616708	2523370927	7583111568	8999121163	3645554904	4269994961	4285690698	680633400	863387137	1221857404	9823694429	2694959794	8198034370	10628176934	5599434094	5269800438	877215041	6686422421	7835701519	3559652398	824920077	2787522121	3142859680	1812434419	10794428891	4029295765	2212262728	1076823329	1304324023	2956977186	460764476	2526026957	9719999804	6024155412	4390518390	848845403	578051242	2016454975	2645002876	913508299	1129562581	1869962334	1754909621	2542704230	268548653	3994838291	685294180	129131539	325655934	2732035224	1024433954	813595429	4292787649	1383673452	584167190	2434932888	1108914215	3656583455	4002247876	8193600456	6497227085	6426332651	3535638359	866153466	1813292736	2441816910	1191422054	3357105587	5630032817	9189069965	2129256973	542629668	4011327270	4252554081	832742004	762404682	3181832990	1391851159	272351912	887158028	786938429	374815800	1178120469	1315418298	612304641	864672400	16380701779	1005350475
palmitoleate (16:1n7)	58618605	279738391	231597772	138558000	73975099	179231925	172880180	225940655	29660675	51329626	2529227648	38496636	170624379	105108133	172330194	129846421	127298496	188242205	75833665	54435713	298485424	149914159	160325562	81020938	67657404	18937309	57478629	63027615	36625252	71759544	38169025	30687808	26264583	139552238	97560390	224330567	248403850	440467378	114598546	103394467	439396178	247910488	105696665	202494177	117564546	199295050	239147772	103529614	110603572	278299165	89489722	534222383	251223807	126627651	65548653	116957825	148721890	277332838	632533016	96403936	113268207	1603907324	152272049	331736092	220787472	731568359	2052989168	436270695	266822818	113773718	146068438	441804265	50955073	205970331	82852832	119513139	141492524	177224970	330097381	191888570	163462961	238687291	29908540	172968321	172024570	262985945	527824796	292821627	61944530	159378845	183794843	339195590	1293910776	245278029	100576988	127934365	2048297022	18139884	741252380	341089203	319528493	246364806	504425234	3116136805	44303758	822646888	89657478	261485693	225581289	220970715	215064700	69581184	73105002	354611147	723228743	184804596	80288668	197345346	161398995	160202319	252398850	556663658	145519352	109524558	137094061	76606688	285481934	340448351	98802132	118879623	257544269	145041571	96375985	30933964	237995790	58556534	25845425	75014457	155949920	44617215	30607818	98886857	74194971	57251185	182155394	63480876	45208562	240578756	365179443	225207698	318829589	90964808	41761799	428166801	284918117	70453071	63549576	164834180	335950393	222042190	79863489	170002037	88308577	163779755	157007845	299527703	171461573	390557772	51607726	91229404	397922744	152135699	155507216	90972747	80321638	591154231	124890401
phytanate	640745	13689313	1200222	1012753	589029	10628998	2003115	5847925	1806380	4568282			4316775	1204288	1378179	194887	1061967	8262470	1288879	1699061	6900680	1848284	3409543	815049			139100			562232	1965269	1129832	437920	1959879	1693881	7011427	4296527	67121145	2132088	330683	865960		8947103	7745378	5327192	6409874	718578	756336	417068	2288614	11440503	65434072	4482181	4597061	7596693	4303470	9294374	5887383	13281761	2597908	3789746	1382196	2597184	12149775	3098027	94988493	1089147	18325735	8645058	3312608	16858044	132499300	763054	4491267	2685945	1685222	851035	3271798	16420653	951554	2133740	4981439	698193	5875022	1130827	3779965		471612	2262551	1476600	640318	3629158	23063062	299876	829155	3271776	1158119	675344	10216274	144537007	921365	9242378	25428340	17259710	1739554	1114778	4889065	23838707	6500079	6968038	6532112	932669	1511386	16281838	4256986	10326633	1584108	4173292	8683248	1341098	6753948	91156039	489651	1504589		490015	994307	8436372	14767881	21313918	2474166	3247480	3389383	409647	114898057	6669767		2418185	9154342	2729804	281488			1149287	838132	409150	684059	4626599	12676072	6591472	4728120	3024262	3788758	10555080	5986519	10364436	3576619	8521955	20940441	3367541	531889	8409109	757358	539234	4860847	4998058	11718934	6533643	1792107	12921244	1126985	11890603	5210330	7112972	6365667	33873831	25891429
pristanate		1809124	192099			1398135	276175	543093	161862	531191			642679	173842	130516	81172		664056	125307	106709		238705	634009	125428							167651			226872	166394	301958	632335	2835809	350048				591733	598386	352587					593565	1946716	3967747	1122581	291388	783906	642976	600389	691245	1361101		633477	393372	632482	1165686	679388	5100776		1245199	1082584	235104	2006010	11262278		698439	222312	271784	335894	345558	664619	242154	233577	506708		595403		457925			341944	135265		552508	2049566			760825	201433		913025	12872776	163805	850465	1675076	1783685	263327		496464	1723110	804181	476380	442859	115251	191454	1497213	404487	1445013	241373	282528	558745	245109	415049	8630052		153795		134121		1072601	1840766	915534		482746			5733397	237557		390108	728718	244022								297367	949862	588883	383465	294028	350623	699190	255784	414124	298263	550924	1456934	300211		591411	365373	283866	550032	190523	409212	1269469	127918	498747	130340	1081163	373519	296067	393873		953584
myristate (14:0)	291370426	889927932	629520419	400972775	678010885	457095200	365926589	2156315027	95941424	133199797	127046419	45229724	529769713	257901541	472749780	225180110	240607045	339485824	100776032	436370178	372511903	275715283	120460398	86576933	64045945	51219520	21900658	155228012	43288768	44074320	223320666	205073411	83813819	995261319	208540800	2227643224	912254511	1725403197	89569049	63455188	169257644	91003866	303313488	846225798	203908425	194583240	57564421	71144052	77405970	545912376	510287149	2437384675	367502871	1140889477	666150218	738416703	1279277963	1413488261	2930961248	637037884	2140489382	415359777	256993241	1153257530	311692058	6013992765	429697295	1639897622	786050432	800991288	803175717	3229397064	25058059	268349532	524388462	299913883	348059230	866478057	1068162072	800944130	408944715	385661586	169133344	461541556	299651690	761344152	390731990	275527814	159929381	174516022	61007140	776347596	2318922346	2204571508	107270093	1253101912	58472046	27724617	429928880	3197848679	234162163	2344441325	3712232822	1833393250	329596825	266860282	258117864	830623133	826711139	393753781	923621962	499115761	89547373	1318741627	659547069	395688577	690507925	530993229	804962333	200881534	684601417	3362713492	251764502	197445753	101129631	104397345	320434253	352655315	499679254	465293025	459454781	2513749067	118878410	191316856	1832084220	330386558	684945747	106433297	527984125	1190758625	79132343	910792880	210527309	51924047	134916685	102091427	112526225	575756413	971064492	1876673636	452783613	116227443	255607316	966999090	242091289	485369060	319810875	389464861	4147937710	250169902	75211650	935586497	455490534	1778624339	308121133	467371243	373010908	391036531	112225753	195166520	26426560	327220888	400996668	137782359	162060674	1410210071	395844276
uridine	3413640	2705452	5128504	10399446	6060852	7882899	5948440	6476293	11201807	31368746	6143407	9044675	41653666	9813028	7145619	19883236	17512712	20459683	27189095	5229447	6411360	10899287	9483998	7842438	8722690	7777893	6232450	1617728	6071631	3451778	8075196	1184896	10194960	4846902	16501562	29971006	6036468	6731341	12226877	11432657	16960994	21969091	1050414	12067822	9345233	12812396	3072458	8239499	6702417	10299922	5540215	20887845	9728346	7313216	1151217	7199125	5632324	22434963	8431761	11318926	15652500	20445474	26816056	8290786	21050161	9111255	9203860	16781223	26231591	20653375	27061925	23628212	7536120	9431885	2271046	19333942	15841130	7775988	2310885	21198924	22472373	2261316	4738201	12175312	7222645	7447963	2402242	12869330	22660270	27266297	6355220	17907213	12435300	4973120	6941045	35782135	6103307	276599	23715901	12798123	14258917	8715789	60870960	9251064	8334988	13928721	13069286	5346262	18773754	10540997	58456960	10887326	16384345	4162924	10770871	11083511	6305248	8383041	70346053	24852317	11103352	5841201	24439467	7367902	1471133	3382872	2854734	14834234	24374151	16426047	4931971	28852786	9274802	16673127	4208846	6010059	11527404	16055004	11922722	10435892	5900205	13243390	29826462	8444497	4497425	8741133	2707767	26896164	15922233	32787517	3948364	5597301	27940782	10606711	13930336	20496251	3709333	7816570	15017619	8935701	5598107	34403504	6859928	10049479	10095092	5748116	18733511	6735181	8895609	5037841	4999660	6514525	3003682	11175599	11449989	18213378	22872108
2'-deoxyuridine	6474766	3384571	7721070	11066462	6067269	8638259	1770368	7623324	6109098	24262960	5826878	989690	19317186	12181567	6021323	13641513	6069412	17833670	12232964	2878563	3254927	3969083	5654654	10253638	8258161	7445589	18519118	320233	4091827	4677503	6126130	2361550	11059310	3230959	11306192	9535792	5584117	5245394	5340326	8481158	15603891	5304750	4838523	6951630	4778461	9506927	3498990	14399589	3686514	6850702	4046087	15738654	4148440	11323657	6343398	2973622	4565118	7621539	8279648	5892451	11577128	7629673	11959767	4449253	8686757	7556605	6106099	14749459	4808523	8603258	13047394	6373712	3750331	11077700	4880803	11570735	13582721	10015192	4575510	12947052	13350176	12461190	9693209	11681335	5429298	5857061	2127524	5778352	8575425	14875391	7137740	18221574	14397423	8907553	4491946	11019578	7946750	1476416	15715013	4470873	10698369	10375011	16179037	3630707	6752339	4550203	9676029	4442748	13264109	5796456	17539923	6426113	3135838	3919977	5817733	5429876	5162229	12672420	28014288	17587664	4908762	6234609	9524377	10696181	1481180	4636187	2626455	13614074	9228781	14562017	3198943	36545674	7884431	2179582	2645970	8576648	10595984	13872953	10464690	9130974	4008728	8079821	13404235	9962862	3673728	5249617	326096	4137661	9378585	7224275	5685084	6249332	8765502	6138328	12402571	9347594	3674594	4537794	3145036	8441406	3809182	13125982	6637321	9462928	6886983	6220731	9787597	4956601	7817954	16470289	9814846	4256123	3373576	10090344	9476609	17362716	11691863
tyrosine	24150571	35629660	41961565	51160887	53251011	63185580	55370034	44491927	24793649	107271404	41285814	10634407	83535322	57576989	29253194	65761304	35760858	89062367	79573732	45107605	61337998	55621009	45082803	65406406	39938730	45988124	45215692	39773962	21689671	42300209	118839235	40390069	129237094	44173626	36855507	92657605	50265644	51430041	67296505	39841937	68181319	50812239	57626981	78065069	34175082	46628697	40478752	62166350	19853422	71144211	37478042	74691950	60063099	67000499	24624317	45792514	37858942	63699273	54596904	28768367	48191197	52274109	53503052	50587875	44505786	48488339	44871015	70535157	74325307	54888621	64199323	61389646	55362013	104451038	44870037	49909128	51227915	61187237	29089586	53459657	60325060	77706865	85508542	104048083	27131564	31567807	40132884	28578861	44591563	61114699	47375577	63384169	53704273	61044827	27751151	48198036	35930176	5442958	75492451	48562386	47781876	79162782	51235818	44469690	44343164	40527696	40619708	26689505	62363420	38918126	70126828	84579580	26975706	50823805	52206455	51704236	58046632	66872990	68585858	71841377	70766207	67071295	87613392	39393594	22648610	36023285	54159241	75135230	43106510	48578568	65166957	37620062	42432930	28568211	41035184	63539398	22733336	73776661	61366913	54948774	39305449	50415056	39507426	54002633	39153086	27311900	24719124	41434833	72526851	48245458	54719372	47248384	35317505	74285979	60378293	73193336	48861039	47628879	64997819	46376307	37107545	52508382	46207448	65796024	54728860	67926932	82057501	39460240	49650948	47494534	56006439	50827422	52211075	60645408	49931524	45588260	78195508
uracil	22149230	13260204	12083006	42073479	28948802	31863258	27398912	30355687	17422421	9398862	57800349	9655876	40822177	24217107	36553190	58459115	63528033	81119608	44466769	24783510	35056783	10046287	9169955	13772119	31195436	40571109	20222003	8702934	16910375	15430374	47198993	18519361	58339569	19780497	45267409	81307964	6894362	21531557	21929123	40846384	33474434	22882767	12809338	61689673	25504253	47621072	18083644	14837089	16615406	42857461	39672325	19992532	34455910	42522993	7527237	82995894	53444674	28400227	13490307	64987930	19169032	23797174	25215652	35788503	92960082	68519932	73755734	61470800	61762090	18456080	12929648	15265867	8586273	57274427	18394704	15992259	24354164	26506763	5321092	18751957	28309824	19164524	22268962	35510862	58184678	63974266	17727851	17920057	18871693	39746517	22951838	34208693	32303585	25597308	10980267	18301270	20797332	5035147	43628515	31411910	12873855	9248265	22573909	15109887	43018456	17823522	48638799	28213803	49112820	15590868	23977865	34561093	15474291	18352087	24691117	20341550	32890914	22964364	27660302	14158453	36836359	39654891	101640439	48638649	23111245	18803146	28433612	24949109	28890499	14164598	10239096	80522127	15315391	25558189	7592361	12336513	46145750	49472542	41022499	17872611	17539948	38681898	35974039	15142115	24486224	38631564	18036682	16992297	41796942	23537019	26625273	32066810	15916108	12455323	29306048	11246399	40497475	49721905	16309799	33623880	22303028	55270473	24894100	55110317	17637403	33662206	14757239	5123789	8283936	18763420	7965904	24082446	22082228	23832266	20837547	36057493	30635204
thymidine	21788955	11423461	17040491	27940482	15575465	19224633	5510512	19760247	22104535	51502344	17445276	5413261	44649922	24379306	18851550	30456395	16343748	45913812	31478154	7396435	10176640	10156393	15385782	25492270	19586668	19858214	39988991	1198186	12215149	14183875	14765238	8425025	21543956	5004472	17123688	18617454	13047941	13481662	10706671	19463575	35673284	14174101	12788234	17343610	15418060	21735680	12008178	28294819	11906406	13583538	9453119	41591319	12551879	22885333	12567383	6513154	12750651	20269260	18885146	13383075	27821456	21459269	27235771	14162574	21212916	21215540	15939679	31506860	10207270	20154259	29054479	11810990	14833596	26037230	14736131	26152939	27595843	23891358	11647000	25023523	24542965	27066571	26143576	26204965	14922212	17222207	8301662	15614284	27704266	28688761	20596282	38847302	36047494	18286347	17030753	34292279	25727273	6199250	39697230	9368739	37793347	24671305	30140577	7353890	13111988	14372838	21024891	15254979	33457292	20065203	43967518	13443434	15624813	9695941	13931772	16665110	12126473	26285769	49225410	32988140	18811429	14025841	22095179	22107630	5928907	16974275	9259081	26358297	24130218	28491639	8177539	61480240	20263848	12088660	9557604	17829268	29326650	27251495	25233136	22472028	13505275	22298360	39652831	22640512	12993817	16158745	661703	19591763	29008780	19131250	14425618	13350746	26811144	12458410	24198778	18255216	9237923	10859971	7640776	19361616	12522755	35299292	11788069	16727253	15474525	13381117	18959324	13228995	25304697	30275099	29779804	11037745	10621421	23703324	18087341	32507115	21702487
thymine	15842608	6863044	7176321	22560796	21755932	12179112	4837050	16549558	5822949	3443955	36205954	511192	14835465	10854278	13428508	32113074	18532983	30144467	20222141	15949132	18558041	5769469	2905531	9014909	18542354	29797920	9292625	1822133	6663195	7915523	41857157	11161094	45086806	12211192	13143050	37064163	3979923	10228764	6402439	16684696	19217259	4394817	10500933	31598111	7499034	16642380	7166292	13304242	4755256	26042432	29333381	9734342	17936986	21126635	6251075	49458717	43010323	9858364	9348117	28491161	7872286	12707429	10334709	17926315	31036753	43970329	38353147	23668151	30295703	9025446	4763560	6631840	3970998	34626524	13095808	6602842	11821632	16635485	3494679	6121528	9351205	19583968	18824962	28481181	30730759	49243770	7695998	4450169	6522024	16672307	11516895	20945431	17098739	18791270	3460639	5283966	12231578	289597	29675269	11942928	2360871	2966352	6709407	9507883	25806165	7274254	24718908	7356854	20337905	6640639	3809628	18081066	4001938	8970415	8759297	9253738	14810165	13371399	5547030	6117309	22010263	12229119	68932392	34930782	10013413	9427514	14230209	18795676	5749495	4293853	6921571	14256296	13513918	1780191	3583139	5187245	12444337	14670528	18350988	7441413	11721029	20159024	9245543	4792084	9555365	10749710	3877885	2842274	18191249	4012116	11297584	18537932	5349930	2768783	9977088	2608198	25117881	23425433	2500457	21828402	12442316	24919791	10264260	32907320	9566813	16044669	6791308	2250079	2128082	8893329	5815108	8774834	15890847	13425520	10120172	6194294	20470883
caprate (10:0)	7476753	29764565	21622461	6543438	8381946	3882667	43997775	213164683	5708321	69075378	3977080	1491312	61428196	23530671	70099058	12372279	13856351	42082955	4474214	10019673	5766315	5790301	1346923	3647182	1889882	1774724	3697800	6352604	1622485	2347997	4107756	1654321	23261021	39908381	2199232	665875543	34013719	27913454	2095772	1175535	2966455	3810711	38082905	14153061	9791877	2285290	1273663	3920227	2516267	9703609	3299629	65025490	89626841	468555321	19979385	8870088	17153820	36858673	44062673	2807385	96280819	7179922	6465062	14153052	4228963	20857100	6128208	15687184	38819362	26701091	27298262	160622260	3840400	19791178	28930875	18600730	22073713	35144907	30683230	91827705	23276117	19303225	9086165	16217163	2700261	8092090	1990220	3147130	13612757	12606993	877725	6228795	64653630	382699067	2932546	23713781	1644169	1692934	35578529	27631494	3352192	30346097	65903492	49834631	5809682	34000528	2205380	5392286	30546131	31122446	55987935	3351365	4247791	14563302	13875898	23019488	14405842	22029933	36095595	23846495	12456355	37819205	1149978	3579874	1239043	3316541	4515330	8604476	98239651	39100697	35923926	714236122	779261	227494624	21309448	17319967	1032848554	21478056	16823370	1027480177	2446935	45185229	2410389	5033637	2031173	2411631	2623448	10882222	7989990	41842419	4760069	1590804	28902812	40095880	6037249	82342665	3697551	4144504	217440075	2376225	11146776	18339884	8585491	574406523	31591184	5277643	19810573	244705461	5447213	16285293	1623754	31152163	18381904	11907713	14279875	11981232	38941791
undecanoate (11:0)	1231188	2547950	2414826	1101198	1539821	1675529	3334941	5587005	989706	5435725	881361	574355	4234582	1319356	3768708	2175368	749465	4170611	843505	962715	887369	1209678	655001	427472	578078	683072	735136	381509	952685	969771	1818616	457992	2281921	4131080	645735	7684303	2441278	3179318	726488	517817	630923	710274	2126236	1600832	1187746	775944	337628	755226	248311	1776466	1107025	4024197	2479043	5410394	1906146	1218917	1778655	2971366	2793175	997276	5823391	986896	665225	2413307	1895495	1862723	1550474	1656155	4543008	2920804	2330014	8005398	562121	2145852	2265127	2206905	2090030	1450350	5700765	2786680	2477476	1209964	1133667	1447246	729895	1976699	821746	990068	831922	781966	273800	1938367	2839129	3729968	635976	1921889	662451	193135	2582591	3287897	1045849	3170355	5993994	3449605	1147788	3177454	585416	1131611	2244516	2946788	4584939	1241955	795702	3158757	1600206	1893140	2499383	2465726	3144786	1669630	1381331	4199176	1056327	1034210	360025	935139	897041	1089160	3925662	3073156	2708497	9246674	333566	2940741	1909868	2232169	6421925	1161342	1831591	7316590	563155	1467987	297953	524542	654409	800052	1259884	1439974	1111855	2664909	700869	574021	2011742	3497438	1115876	5314161	1188259	1227892	6194572	967801	796562	1270384	1848820	6227134	2232226	1113043	2514348	11293230	648875	1027315	771878	2180018	2150402	1404399	2039188	1204400	3498583
margarate (17:0)	24908057	92714981	58147023	134694858	63903186	81150877	58627442	119438244	16677180	5959766	56529013	38816738	29867137	16021827	34946532	11568084	48130832	13008376	18487818	86920499	146853725	45945301	45694538	15270526	36786623	8010978	5152398	28078947	21526252	15188880	61115479	66212775	19708579	32875882	48399076	15349211	85729046	542986999	50365510	43641789	57997817	59910285	29551935	202908140	23000551	57540573	45290863	15543061	46957150	172152162	281121909	746437300	62624665	25667307	89183928	326577116	412490132	258522935	445144162	261667565	52302773	99930150	76828127	538128187	390623642	2135786037	335283459	1184832086	61991730	91461089	92839858	478034546	2891115	19332544	28457743	31796471	21424334	123783666	124053428	36253156	34186280	63874456	15694582	64674422	223555629	303352358	244829720	98990339	31228945	26785940	56760069	415084738	566827111	111999399	159775111	132438721	12228851	13315947	59840071	688615557	108153157	517314204	826430904	325179171	98537421	34188018	133904933	406305749	118209279	24326048	97619658	70206659	45140628	612034050	223518392	83701910	43653335	64845084	157389772	15350957	95058915	650704629	247269203	159513532	24397473	10881303	79255496	85059291	40773669	41098407	90537115	77722439	43255263	5708724	168607435	31614991	2094900	9430242	99187700	33966104	9365256	55334209	37289825	8098236	112675799	29036833	73931325	173575294	622598296	363189141	207733334	72585804	37422688	115683726	124455791	31525375	166729885	258962994	535086712	118962143	14622395	217638376	105135334	15868541	30789258	105002495	52569245	9283975	17014583	20407175	8042099	44013983	45429491	16183151	36088063	1058302926	33056607
nonadecanoate (19:0)	2241129	9769255	5606065	12117179	4843119	8614831	10701345	22574462	2269577	573253	10063941	6011603	3583256	1425399	3636550	1119320	3793563	1706860	3233813	18897469	9274632	4867343	6089502	1347786	7930524	2261756	616698	3008145	1374067	1302117	4057366	10535977	1536974	2609968	5435338	2479958	8034618	54977288	10354362	5727286	8095496	8454888	4781516	41653877	5247365	5761045	11540778	2050034	6202755	11999451	29436696	133772487	5859021	3379049	12996167	41781479	73497964	20189510	45037019	33714486	4933035	12932779	8826494	42986227	33796506	324822098	34926346	79216131	5233909	8789235	9629846	44157394	618861	1514910	2748788	2980016	1624081	11102019	17950128	3001451	6267853	6310909	1469661	11470500	49895628	67985792	29393195	12897832	3849321	4705399	7951240	31497739	109621488	11499677	16247052	13412545	3538594	2621229	5791888	110691598	13664922	51717177	93943026	46399662	11272351	4504677	17054029	55735772	12209887	2460181	20152495	9028813	8918285	54479355	19283359	10925846	4821413	10399048	14732597	1749108	16689863	67977207	24192010	14038396	4256100	1475608	8356812	10503581	4018216	5937653	6074229	8746024	8857267	1165296	21935285	4071902	216664	1539357	10767343	3796234	4013451	6085516	5868445	2121860	15800603	4333178	7079709	22030176	62184619	42533943	32356322	10521934	3652341	9072101	10262300	6062024	13343761	28049246	117513535	9322200	1569273	19121067	14712816	2479379	2917099	10754322	7394339	876211	5882125	3956960	1523136	7709357	7526836	2743932	3191540	202381276	5525883
arachidate (20:0)	24055117	97459671	103108929	203055255	100671688	296288824	81203789	127685934	30892669	2824226	184398985	144114167	18848069	15318683	47069884	11671105	68365156	10569544	30564042	70601740	32135892	37854357	133934295	33525312	139171853	20876250	22058944	69233294	62604065	51679949	60721969	141347720	21704602	14248587	68208708	16261718	66823557	327108592	116058412	81489509	126297791	179155482	24330302	240665325	24614875	107256145	210727135	50069477	133614230	184478499	367067166	520367367	83282045	14282366	86472207	626079066	722338816	118649156	390508555	548047289	65947311	258460205	129779639	956453113	544683721	2998388426	635726133	701777610	46601946	45806107	100763773	136016402	9412521	19953553	25567137	56444120	40450447	138357207	54696546	68751785	24848623	85006378	36784442	62618736	675536154	563549993	2060039700	240897375	74470866	32156862	110610141	642742662	576667542	178907290	378779079	253334804	31991815	29863554	58779865	510291019	180351782	232660805	483229909	318925305	163043311	59086288	270554652	378011410	84986492	16643805	59161851	134363163	102121879	599251695	171626636	142732657	48666896	42315437	106885677	16118371	71751380	496205750	372611602	218648128	74968704	43222407	72795353	160742305	33286886	27526573	78991929	62267445	106677847	7943874	148552339	13611737	4208721	16152107	93165045	22249583	53558455	226672969	148257523	32380923	142636971	59082771	150175347	601211681	823343047	389033322	451031325	174521515	14629706	38561185	102881474	14388552	99558019	199035730	437037451	180758440	48311589	85332244	291686088	121397340	25570518	133209639	28201605	6455932	22075952	18567623	11813315	49499218	38623772	21131813	14988125	1377674537	17612768
heptanoate (7:0)	98191	276131	790179	7346144	25499808	499155	14637658	41290918	394780	539959	362877	120815	643003	455235	150876	652049	209132	383754	148584	308936	433090	350627	368812	492701	309167	135695	402935	336812	460506	396152	622055	5386938	464689	143805	81738	342177	176540	138959	169035	149445	165372	300026	274027	201183		139571		265668	94123	9764065	18495353	222578	192827	258259	135646	184093	248343	218338	326157	316060	165950	80477	166319	204882	9676390	153180	8239647	216376	197558	150306	137387	198723	176656	369857	99747	320793	356024	146746	174046	279996	288461	265405	231487	183169	200356	247925	178143	131334	152638	288646		211339	306915	144085	108709	236416			225757	131221	240738	270633	230129	136085	185224	90203	144089	111379	201853	128717	397594	291961	86472	301826	119870	154553	139161	389692	386713	246541	95438	173153	185433	299579		117703	90515	262868		199097	191936	303406		208927	81392	99973	228885	107425	93725	248233	50507			209626	111421	163003	281179	239484	211603	372303	152561	132293	188974	803120	210719	414627	212568	198658	170561	87118		190743	16151559	9100303	262935	425768	327619	223030	189909	161611	176048	181222	173491	539386	224519	262170	136351
caproate (6:0)	974259	2737619	6201836	21790799	78587473	3364016	51521351	105808208	3543918	6912284	3085904	460855	7363288	4071448	1371182	5033456	1955154	4570640	1697250	1818811	3136245	3329094	1217909	2498878	2237464	1887184	4931515	2358737	3031363	2669383	4914004	33329825	5581273	863533	216745	1196678	1057659	1395242	2204458	1610888	1797496	1870915	5600743	2646546	849044	1788136	402725	3064445	1224956	36765611	81484088	910410	1216295	7834912	1688007	2441588	5045255	2470936	4168843	4364245	1531293	730014	2085850	2325803	70739747	725124	40271539	2699061	3174848	1593743	1463640	3405689	1161675	2131818	547605	1042466	1685868	2621945	1079099	3064923	1831502	1538003	4855746	4039069	2303449	3567295	11019695	9062770	10528429	5343447	258179	2031752	3359968	5738580	808163	2365775	268714	262292	2119448	789741	1684457	1769905	1457782	1291284	2995933	632617	2144528	897199	4888691	1963878	4138041	13541766	2410130	4039598	899837	1067255	1235133	4837886	3443242	3363118	749648	1241919	2230399	999135	197199	1170526	559193	6025626	1594840	3834386	1461233	17842648	656559	9263212	240931	923485	15018248	1458751	1528827	27603159	505741	809591	213302	1685748	614267	1606174	4065564	1561780	1271793	2592295	1177499	1341339	1354292	19145976	5107674	10126041	3505232	3253208	2202170	898736	767928	3004399	45547128	65571246	2820659	4814747	7512040	2610298	1124436	1970588	1634804	2101829	3080320	9086215	2343471	2768151	1201558
caprylate (8:0)	890108	2681739	2202313	2537640	6391307	2336103	22397264	44852691	4269899	4078420	1890165	606085	4341307	2895752	1218058	1692665	3583691	2380530	3274097	1364210	2959519	2049992	858087	1857702	1649898	904917	4328536	2774695	1632968	1569215	1393517	1077470	2458387	1663472	459081	15158166	5280269	1112153	1282583	936409	2010900	3342092	3082271	2383339	1075359	2040859	550430	3054564	1772475	3678387	6794759	3073692	16374564	98122550	2212703	1969768	2958318	3116298	1853543	1028849	2385414	2055347	3182113	3641332	2652868	918592	5915016	2634985	2501130	1965882	1797511	4641333	2173430	3227457	2363267	1379970	2784823	8841135	1485792	22106213	5150607	3234588	1094393	3105318	1264282	1107346	649333	935813	2965182	3719053	474373	1242266	13565744	80699846	1449604	2956202	539749	884939	2533647	1134146	2273993	3168055	3066323	1585507	1187933	1395672	876885	1115010	1834158	1171740	3245997	808627	1983134	1301101	1151363	1968073	844314	1314392	2652012	3336444	479805	1188145	935902	1470443	525188	2577705	601849	1847094	2737570	2081630	5173896	256563037	395658	96644798	531044	1478462	310293942	1844904	1157848	434665473	1263938	4891519	777473	2921578	835353	804135	816383	2077292	1863709	7821786	1424486	686067	4306995	3420902	2519088	2527444	649232	784762	19861822	750368	4594715	2444846	4292791	91621344	2988414	1400120	1994105	4017054	2855173	2676968	1375824	1953857	1841202	1781893	1884605	2448308	1783482
pentadecanoate (15:0)	127244850	185297081	202458202	482282322	244410992	238804432	192123350	510683863	31736796	13392325	135134042.3	35284425.8	83242996	47552561	70706105	73666124	150962365	47959464	58029688	120200062	163675698	203988888	139993706	57213411	106545792	45773388	12544851	135615565	36863545.7	34316168	821735798	123225683	171063244	129807239	81297755	28837087	349074317	632739756	141313166	229946565	318817973	200012159	56562626	500384027	29546762	146696803	32870597	50025320	39558361	738343500	1174384602	551355864	243101761	89836160	477346582	743881015	700073913	306946892	1085813457	370783820	141630887	105016251.1	137187026	984217124	733657376	1373273265	454501117.3	2090801424	187593632	146817927	185437765	597211584	5472819.4	43288222	72471585	47181905	82663987	156992017	506442615	187285793	150874618	229300408	85404055	235669753	270123764	514505568	107865336	127561661	55112791	64789306	148169489	1626563633	824769864	443240852	75065887	171750976	20006287.8	6058237	126698730	596892576	65516026.6	585985637	847851019	346170825	346030404	39900807	408449547	348327745	282338038	49140528	179927427	247284532	31941122	1484793158	118933677	86581971	92846975	289012124	462959271	44702892	116593586	672693293	737374885	830631915	74979123	21685436.8	90446503	196102921	59378607	63009911		169244923	62331204	9421214.1	235116935	50395097	5173577.5	20697686	387107286	46333452	26733737	195831049.6	92784070.1	39091246	89138490	129678781	262751997			398655545	139702221	179505801	43334471	169585654	178078723	151160323	419158897	669524835	416167863.8	170550449	26554792.7	137216085	660195985	59365553	103094520	189749877.9	107021689.1	31039433	28197316	44911867	16352474	73254200	99941466	58836689	58164102	1285449424	83816462
5-oxoproline	5646429	2123006	2782431	5725271	6210740	3941761	7207586	5505111	40157527	6020835	5586205	2581777	11740706	5593746	2270013	7060036	11382536	14715698	5524898	4207843	4649102	4011993	4169637	4996769	5034086	8468782	5731086	3263113	2229795	4633129	107477908	3150441	16954280	4272572	4108046	32038290	2266202	14859176	3051530	2953261	5151023	4156661	2485118	4292580	1222935	10652111	4250388	5621069	2090386	32243314	18521725	4295495	6214636	4497965	1321116	12216813	6066500	4402125	5168058	5720235	3646504	2676466	3614532	3661392	33643508	4960326	21162924	10597018	4637984	3571497	2994022	4048842	3641015	5304423	3109158	2988973	11818516	3405430	1993399	13045872	13129212	8145038	8660123	9505711	5702677	10194751	2511563	2729180	2187294	5932595	3595806	9041130	5654059	6243612	2857827	3543027	2905756	56715654	3986684	3358276	5471131	7194923	4817967	3535674	5581812	4033425	4781200	1904585	4606477	2359299	4268121	4931003	23585360	4908281	7413946	6606674	3385070	5992916	15340475	5036571	4195027	5356229	6979382	10336391	1722590	2765691	6096778	4242624	2621838	3984735	4440418	8171990	2775491	4495712	2734765	5491881	3557951	6638081	4638305	4140907	1859489	4676776	3561720	3947408	5856043	11822441	13201545	4495461	4498470	5517373	3508373	4211630	2589321	5354662	4743221	6063996	4613539	5911655	5507568	6808130	8713120	5412892	3972980	12862491	10845487	4696261	5556489	4325509	3642293	4606690	3815665	4352854	3115163	5648551	5617623	3716920	5886158
N-acetylleucine	114154	310635	496355	1777946	3234933	2364249	325032	1285787	755144	969112	1276536	381020	3220485	554414	1007978	992457	495886	1710663	1129864	1407726	507431	502327	200450	488872	564243	1001156	393525	307607	167116	702206	14754909	354049	33731654	998971	455381	4557809	254224	423978	688765	554276	531479	504814	638249	951023	2220054	675119	615629	744110	393907	2139172	630776	811632	1910588	1137271	305454	2016957	984321	786789	611246	857905	410690	904713	754090	248556	1556148	706194	1653801	727421	13102177	367616	404335	836132	1819665	683415	265423	253395	238549	1225178	241461	546718	761741	963901	882940	3230934	463905	1360685	318574	468635	501640	694435	99934	984256	596238	692041	1029930	357727	848394	175502	1324318	1726050	1017179	217620	1994663	906953	490680	983633	971763	513490	409970	555474	826183	767833	936754	352216	628235	1844002	641942	495254	1038837	467052	1696259	747550	2985224	554414	216573	828843	1955349	658700	1754993	820475	495205	286016	287761	587664	546106	882805	303169	1490561	437684	1048414	616627	1217754	218233	363299	2936737	1024681	455742	556102	1550946	1006156	4590444	209389	10476677	648338	280294	765600	230268	484319	315307	518598	298713	240770	1231423	2296141	1138499	472744	2930949	681150	411850	205097	309311	1734750	3806640	695957	504203	606862	3211426
N-acetylmethionine	555243	1230984	1323965	3092776	3429240	4499941	1574053	1611429	3560449	7553336	2550573	5528557	6451413	3399197	5108207	2433456	3295653	7131453	3098466	9011278	2618892	1915812	543855	2068459	1425192	2212787	3459019	855613	1170617	3744717	21767935	699669	58457220	1905928	1623400	10108577	970708	1105458	1620830	2030747	4818602	2888091	2105832	2464782	5520914	4065126	2888728	3447551	1184202	4227991	1510318	3395033	3249046	2564548	1438275	4375489	1929644	4087261	2181209	2709986	2196112	2073075	2534047	1304115	2600800	1198449	1961964	2252827	21989596	6780235	3132252	5355261	2996555	9182670	1812454	2068382	1822807	5629834	1146910	2950453	3692813	3903978	4501737	8519141	1882422	2138401	2220663	3858082	2411136	5965771	1266249	2291458	2169091	3590833	3083657	2660852	3039693	866169	3170971	4607199	3603757	2503777	7472992	3964150	2383965	8212458	2359516	2838310	2557022	6629439	5920320	3463216	7268613	1418037	3040844	9397528	2422985	2390092	4789743	3689640	3494279	4567098	5418586	3034858	1767593	2683256	4153611	4076338	14197385	2914973	3819581	2322992	2076139	5480591	2248551	4711440	1517908	6420778	2858642	5792217	8349688	3215279	3093686	2494939	6703168	6409162	3205652	3135350	4974804	3304861	6487081	2857034	12247002	2570382	3225204	2835272	1420689	2687861	1997466	3161707	4634612	3675647	2421692	6910001	4229717	3655696	5172875	5290176	10244638	2084367	2146838	5607396	7847471	5046930	4811516	2455804	18659521
N-acetylvaline	111383	222847	309184	995088	2302374	1792709	160921	374893	989206	378830	414469	520660	539928	227602	535844	1364285	349622	655583	1505631	1519157	298928	248781	147975	363679	480628	855793	314149	156306	179067	413152	3321978	226947	11693494	501831	508583	1094117	145454	292374	229308	595555	379739	362012	291450	379060	1931626	424848	373346	424900	386799	752425	339980	1018606	684653	654152	284288	700833	484694	837840	449925	760887	375350	1191688	311308	435469	642716	347126	755933	358488	4772681	303975	171262	565959	1426161	441120	833144	305641		1321946	198266	426514	529813	387850	288241	1409668	469450	1177960	574029	454014	598596	477016	285643	401103	365695	456385	767040	458277	686620	133239	403684	1662631	1746826	319185	3061639	741894	381092	816553	512646	440380	282301	470393	581518	233369	1408150	324553	539051	2012873	715511	229680	243886	277686	964743	262980	686187	464391	167619	933671	1576097	710378	2493930	283520	646235	587076	441688	984519	849096	608490	369889	1030925	233503	702903	242229	886006	437622	273560	2089944	878731	402718	242838	495423	458116	2881923	276474	7216098	208439	109002	233680	207042	419427	196825	605851	351716	456564	344861	821501	1212458	391645	991075	593023	909554	197295	756218	1210736	2655556	356221	649636	361718	674550
erucate (22:1n9)	1933577	13089371	5334386	11023793	5578512	34318167	45546570	26627612	2086479	1944556	58446686	5677231	6032901	4770965	14326487	2574338	6796425	2934383	3559672	5100561	189859783	5050885	42382324	5130657	15999881	3594306	1672059	13313124	7587089	4445847	18387655	14446120	4580482	5981956	6749603	10338049	7000309	172701602	12478517	17952464	15755051	195731681	4452013	16443839	6109631	22772807	27863278	5471348	6720811	18130343	92357010	515473049	23365505	47010861	6659356	41508158	50316454	11323639	25954595	35549718	3804061	338656186	15399291	32688025	95103734	547648798	42551451	54423854	25881163	107719993	17849901	22605172	1199590	7104054	3975592	3545264	3856823	26696139	9108159	11300135	7889240	13097642	1925343	23522108	58390752	20857482	148622562	8537167	4648361	4530515	9265982	43220633	57188194	23338686	131307845	10573805	6714554	1900356	5983731	50588111	53466187	16297216	43561177	51427092	8757877	5842592	20851293	442799576	10988473	4533374	8461088	6302693	7278381	92940991	43304161	28536635	7633831	16245277	21768584	26939368	17983777	228826951	35732424	24809345	8638849	4987945	20862341	38040471	10479361	7909976	16288936	12779165	5422271	836382	41015843	3073776	361545	417933601	22767192	2177990	25154874	4768254083	483679407	6999208	29951844	8371790	10164910	24526794	178604999	18469450	20626117	13619632	2450412	28836731	8834979	3306275	10042158	231591227	31338647	35025206	8853400	24601489	426938693	20700883	12012669	19763639	6530500	3550242	5013905	8756627	3019013	5783636	15919993	3560935	11088502	47975938	6382872
guanosine	368348	479678	982252	1956700	1211621	1104365	1695903	1112960	4490938	3721463	794650	2305574	4341021	1462571	785413	1531414	2582045	4236388	4239974	1016363	508686	1807106	1476412	2042126	970127	519931	1333294	241346	1605561	531288	754529	134971	985159	740578	3078250	4126329	448361	334094	991648	712856	6100392	2816802	278348	1819166	2200287	3286610	515138	2062323	660960	2540462	1322103	1614548	658425	1161293	417296	855480	679730	4956879	2194491	3154801	1282257	8837351	16534943	1432026	2880987	830322	721807	3645450	494739	1864032	2688762	772764	1823334	6381393	779589	8730880	777485	6894468	40582	1496873	1211739	305787	543852	703335	804951	592528	123433	536197	4031932	11869525	767302	2274693	2144176	589598	691484	16728678	2680377	64773	5126102	984915	1688466	215645	5119642	2582517	1345895	1616410	1698042	795001	3724006	3002538	10478275	238139	1029181	493697	1543830	2879296	991362	2255786	26323264	6199579	1609725	453501	3156945	1391214	291623	374271	273266	2138363	1885935	3224825	1038664	6741246	789915	1779615	465059	727250	1280775	1032760	1552543	553539	1508745	1635726	4260855	2084461	1465942	1723445	545433	5166498	2851535	23880504	1107530	3100390	7670492	1733627	2831912	2659365	1263268	1514526	1904440	1416881	1171588	4317434	931984	2103979	2517727	1065035	3209407	623011	1748335	1363979	671773	944096	594927	1740692	2236134	3890420	882125
chenodeoxycholate				9650497					160282064	321854673	10498291	964137305			368859433		6730955	178019780	768513470								1017383492		231011889						232159525	17030332		11806954				18226880			357535676	12608772	95877896		625880165										4216186	37505196		174577176	164268625			9552012	9954062					274575240	566025493	1472744638	637411264			542811789							56424323			1731293841	261729737				30192390		826453507	125788815	592200901	236234429	436338409	369072506	1825946465	405538855	366306758	629450747	49549092	2659914365	5104713	266675814	17532014	22667341	148753090		2079721771		633362414	1410265043				84622342	19793962						516076523		1381577419	323690683	1378654933	346001231	161667275	1171555212	368835913	228558743	901624291	648782509	241690181	344086415	217375532		139926458		96959842	37404439		357453715		219891277			304174864					62632497			399247698				235107129			1948078730	82247443		313251471						
urate	436093	219313	417842	814167	6497531	911506	995194	6310293	329374	7277904	1062709	339725	27720381	5299630		1274803	571997	8493535	1231334	1271036	6842084	2726036	1196893	1258397	7348214	410014	416857	905469	517784	210357	18843492	304231	59699840	971195	4859636	6444139	852290	2022442	9678447	417716	2049196	1408324	2146626	1710736		11131765	504360	13623512	381219	25775530	5291459	609600	2172102	1932939	1251363	3431038	906472	1553368	1393035	661085	2470225	794422	1187227	1190547	2467533	2999196	1950045	8546970	5154761	524181	309983	471006	196315	3537399	401169	599584	2500246	2385874	2624111	2589333	4539219	5605825	2522241	21895832	919305	1077624	319436	63353	250877	1553581	1453687	1659358	497530	1049513	475651	658020	188070	61473	1145196	1138806	415475	1012357	189587	3581886	3096673	2226376	850126	69820	2476717	222011	6023594	23485852	856203	1377230	531570	471927	497754	2912798	3546499	1259873	1649626	10948208	2568513	10174430	256889	72233	1398000	5213900	640341	7849844	271429	12082773	806218	224540	936030	8421909	3224392	7835935	1614830	752317	220704	291321	424198	851611	3392208	498501	556621	737742	913464	5654760	851793	629239	856723	2274765	3599150	5123178	991425	1289133	745293	4440935	1321969	1363899	8149683	34580234	870716	863351	2592761	881848	1391395	785489	340585	317593	124191	247270	508816	4761054	2553696
ursodeoxycholate		44173498		9099082	12786582		54313211	11672689	161141077	271332843	5100437	227042834	52580159	9355048	10936761	9994234	4501614	63752034	287860752	3411745	257344249	20871341	64348915	23055895	26209029	9619102	793263581	41715062	204937522	105374492	3501127	7396882	5648520	14837740	89613719	8246539	235249384	8732855	43200241	90510120	81508880	30488301	256869318	44945944	43709790	5605582	20728024		127933310	14473118		11630901	25801919	36200770	6992940		1067257	18864721	4985992	8271606	19104224	371800299	247438456	48615693	17953304	4882845		9781923	450123994	46540843	57029846	535576995	231599061	867968067	344193806	246105631	60079638	305488383	2724173	17407359	26012276	68289962	222861994	400523339	2964563	46093289	187109939	800436268	150662199	24285059	42957213	38703263	36027212	32017470	365363441	323854871	522818509	219684019	215661366	17854975	29354052	5963555	1006221056	558446643	9181475	632355688	2084199	530702326	3768696	101775796	32746976		245437521	33803939	467036229	487635576	302054578	3653028	9753021	188916433	53964416	12673042	10451497	6841622	59843199	195227618	284974172		841638046	440928905	861436828	138420637	271726248	89829375	590182797	239159454	81940833	286350848	178564976	544207152	228885293	3514997	19220299	19550496	183335875	5760089		151014491	87907976	557964177	152661150	24399440	325147852	47541251	22915353	182026884	10886579	22704187	17788438	71731160	369291610	228748938	78978427	115655870	260640913	41826869	8937677	42453491	132394074	53952745	483987239	163207861	15464764	107541752	234505306	9142638	491497983
valerate (5:0)	20294042	43963971	91734093	36735160	101143889	51333674	70024838	129564278	37837044	165741915	24161968	1497925	77907553	62541682	23691480	66423718	54708842	122494952	33453139	23839584	58743976	47690402	5116585	10877985	33425251	63236827	70101436	35379514	7061518	20043133	58730432	49821304	74445781	22400289	1761375	8838021	17278158	34344266	33399209	53252165	37590436	59267166	143494277	52908118	12725399	27034403	12435808	84577115	7985813	55682630	57582105	9966975	17950548	78976606	14901753	65800787	79961576	83636600	98874796	97950573	91622885	12926669	12604013	95597052	49492151	4856151	26580173	59302258	58118225	19011785	8060769	14026530	8169035	42739515	3668560	35137596	31392134	76923433	17053408	72607501	81078714	26240552	101177597	51435882	66466816	88025642	14856059	33822056	59511958	136378796	9618992	50711418	44522711	46473322	4951013	57985118	1551323	426605	15987211	8870268	5811041	14905924	6267219	21583429	62307096	8235243	85606104	6569557	62462492	41495113	85702513	87756907	4409830	128993095	23544362	10907426	42853448	110779333	69423013	13637441	10878873	17295045	87580639	24517641	2176823	59882861	9399923	31939813	44334181	73600219	12623322	14023568	1199207	22136646	844559	3476538	12341450	62510520	23072913	83340508	6121261	24054035	733707	36680470	12760713	29048401	76696804	6463930	9866682	11664840	16895028	40029752	30592471	162839881	53507670	111780710	49498385	69257019	16116620	19793239	25878933	71465984	106362833	34127559	55501113	92085480	134204644	23453045	14013862	31738320	8850288	22691507	40590341	86457386	143923440	41710851	12618227
4-hydroxyphenylpyruvate	192733	403988	275999	513070	2904082	238419	533285	84424		371565	194586	62543	625887	717354	178191	257524		1362097	1131265	186645	311815	466100	151738	344153	127805	337110	219075	168053	74669	234088	2227761	126477	1787645	866281	129876	1625200	644758	770319	554543	610661	3676977	664622	907442	661262	196563	1297418	391398	2571999	569244	3399093	1267890	529168	952349	1677996	1025520	2256251	312713	714463	549667	798481	467960	418492	418666	821155	2308112	573105	653571	1782438	4373762	1090616	855754	3968762	532432	1248369	866400	285369	2056361	614525	647139	1292269	1861286	2184666	901736	558067	791697	477116	155643	271350	104069	1634040	896296	1549420	749147	1083368	185236	500879		325558	900893	1847658	322578	1098385	623033	343323	498777	404502	602698	299898	884728	68072	863192	723267	131158	1160400	613360		889038	584485	1343912	672864	1014671	2674272	1262984	3386365	261405	93946	1066256	4256840	83925	434390	671939	1578788	666289	256168	826916	1286779	1465277	472687	1071398	251328	334514	298102		1694054	968678	564476	298649	1211684	283687	1264618		230152	493167	1033760	1060311	743629	633453	1082263	736156	444958	786866	890125	1455901	1219387	234961	269388	515274			146106	161544	312194	177910	280688	374451	3060631	3331629
butyrate/isobutyrate (4:0)	104641492	214695464	174231080	79271779	206276140	114823032	158936805	243868959	568912744	584344538	100485343	15147072	275464277	220282328	214461261	221654580	218998065	494536223	99638160	96144046	118960539	152019983	20551963	78434799	60519552	164199945	542557181	137561853	69584542	187928201	217973245	142841687	290953592	69462838	43384758	110843288	46488949	72659249	77516217	258597513	164556465	140244629	365398902	270110093	176951127	217987012	123206753	319643943	401017105	182335964	184823071	78308551	49207314	225891966	251692929	271951302	275789010	210943775	279416463	604797664	260164018	234076193	373264551	131824091	229045500	17454200	120785120	123602518	154737933	232070562	153747115	120056490	159041488	600725114	69337475	147245185	132128266	400555559	23351372	147100570	171998001	84633574	350818036	309351605	313552779	386972277	24961041	73277851	579282789	390753459	29828211	163142834	130822206	216242661	440379275	637421100	96687474	31091676	360762482	68059514	161997332	93632997	282379022	101413899	266997201	93993319	281555139	174308220	348193594	168919666	259190179	158473801	402171802	229173537	94715725	526842088	172537758	235131638	217995152	528612050	42088884	72412636	254306167	87111601	44532163	554113149	114753575	144849256	466948306	267853685	260562349	248691809	19261224	569531376	13849350	92455339	172543825	201825191	91265795	318924515	183614328	120086606	40866509	144960811	227089039	367382330	277383607	357700712	254369235	448649744	289965370	102152611	805768688	291754399	133444910	254350585	209655057	283119803	140494882	61488781	441667988	275496637	258415145	179648139	159573631	211285046	362287152	349384754	359075355	361066443	162485445	160835433	259158265	540540948	424231558	174592420	197835345
dihomo-linoleate (20:2n6)	4265823	61859744	10951982	38250105	47491152	43393995	13381221	21343368	4743340	3921091	42108261	14791861	19800657	6145917	9976202	7230367	5123445	21954914	8080831	12233237	23897450	10946526	30903396	10276146	27897605	2314018	8079825	9550983	19843949	20979828	20114543	21675280	10803429	9312484	22031270	12618704	20119983	238579216	33179068	49066279	31120166	32851785	61479578	84791156	46840982	23794495	22840688	9473601	35926203	29982587	50616796	97042405	41738194	10225014	11210132	25577338	26143776	24201564	257762224	22081045	10894943	57450668	21984275	145673542	91570881	276928751	503121012	107295380	28900292	17290989	29126092	58894394	1575787	54468518	7922104	10025228	16274065	47737326	25515989	12037948	9309233	73399459	8539476	95088416	49316670	50633392	453563426	28821878	11713340	20055509	43665021	160445106	118016353	90207694	38614146	18314028	8028976	6524046	17531876	128584724	41737494	36639155	63526633	140409875	7421676	15339219	23252767	57227995	106685404	8353233	30942708	29443134	18182184	126213838	70514266	40621397	9536641	22871742	38199765	13604700	96186213	266563129	49782269	17244753	16769595	10925610	64074931	90878426	13961117	39511502	77916404	9501957	27582404	635539	67919514	9799742	490801	17651859	39810636	4654436	7981404	113936879	32364971	11187198	31557636	9808240	5247709	35812141	125523756	23888985	71231712	33509070	9601684	83173045	41757886	29209258	15922555	46270483	65144683	37250919	18528285	22742994	40249098	17669687	24839897	194266611	64962868	14764582	8850378	17672488	55876176	13010601	19833625	12731199	17660318	120500895	17464773
2-hydroxystearate	17972194	19195395	18331933	74057109	48381409	90057647	39969919	62782240	4504832	2517096	27065929	6582230		11572880	3124354	15922563	38449991	3657092	2903922	6528301	1899151	31525580	23689499	8043680	77837670	16600945	2253499	43524507	1598800	7622243	36863213	32107759	10260561	6238951	25787135	13268511	9938568	47854384	32366297	55162956	28374760	31315580	2051455	55637022	4314401	4039184	28606287	16610278	21442957	66623227	77517868	15468930	11153276	12657046	22927990	133429104	125080879	10859139	173680520	146110750	21290164		6802809	130256660	87842767	420374114	62430998	207648740	20200920	16927053	21284945	7955759	9908449	1473868	8713612	5158517	12244507	6943236	31673745	17456647	18122508	53116493	15214923	43690627	129788432	88675062	183771743	16918540	2996269	12303446	14378794	174929514	98809516	75672057	12153968	6728033	8276233	11245779	11761096	13360402	16994368	10238910	13301974	82138101	44804846		72289988	30870857	54092855	5609167	4129609	54321892	21649373	185768352	21591555	18262089	9461418	25920206	30566402	8647910	1748871	95590183	198307768	97258277	7999027	10078137	11106472	12127541	1913625	1956162		17711570	7368085	1143266		1812355	690668	8170684	57661699	2041149	8422588	47749596	28658327	14775286	19005244	36414280	58048665	21375752	23072043	14762468	15932902	45919023	2582451	2855385	31995290	8996357	65026186	84261009	12904934	50395910	26566412	51619687	59948935	16368549	10560741	20110278	2578334	5118327	7571185	1796087	4829939	11211804	13087174	15596767	11473756	194878501	11644733
thymidine 5'-monophosphate	422519		589059			375447		750781			442688	1514897			462546	60594	60711				54792				1421466	440574			132512	89903					173073			190808	119415	874644	118251	285479		526871			228878		362991		244346	187635	86939	225591			374944	42229		1427964	39345	144201	118140	474654	124147	1003597	154866	340147		150471	52527		80820				278612			98920	62256	85917			167690	207652	156446			92270	378007	429741	2933891		82938	33043					248986				595593		286577	161869	314953	29171	44745		429320	94805	71985						187251	118234		127574				58501					57412		586355						165342	453253	440967	65368	363082	240729		432181	635234	184500	139910	424568			70369			293639	84732	438489	457440	758242	214403	126993	58017	24247			67514		64856		92108			3339767	
glycerol	932328	2102581	1387161	8371800	6452059	4127940	29877898	14939419	12008187	6358247	58797434	8053616	32853854	30393578	31643403	10837410	18839316	11346246	6628198	7205072	9041827	3737839	9210157	14250204	4784275	9551699	39851411	5723469	14027057	8406860	5272532	1994235	8109041	5669858	11797326	15055837	11415151	3272927	9193917	5370389	28025906	25047237	1844317	6533761	12432966	15349800	36716484	18827542	14878135	15962710	3107504	59120431	75079262	20088025	4115058	17936708	10282446	9440526	4253040	15433243	7139447	28978643	26692029	9346103	14604544	9702075	58903958	6720669	12069726	12444578	22118831	12269209	73913089	9895280	23500202	20612181	61895622	10084351	5010846	18592790	14239553	30204169	6824196	28770516	32334594	18276965	4752766	3022689	19625715	19418137	4427243	4919684	25209370	23338496	17018589	8656109	11440678	708019	47244183	2991632	27483080	3488647	14885751	52121146	3609813	127416315	11519969	7948182	10028086	30826290	10032245	5743134	6233759	2118942	78012987	36011651	12528883	10831386	32584926	28169546	37182678	21317998	13128451	17430013	9488878	11030713	12616916	18553340	5468365	8337414	128795961	30579957	4538570	39908699	7203369	10588984	175395209	77686216	12513813	36851117	9136984	43323383	20055745	34309494	17762302	27223095	8521258	67978248	59383728	8190513	9489921	4807077	6449629	17290219	17898371	2975546	7271159	9291881	24437202	36141585	40994203	25792010	3648236	117610729	73252019	12624529	5494761	20932381	8381573	9898409	2630446	15605964	5002014	17901554	4549684	11778058	6007758
gamma-glutamylleucine	103862	58171	131340	299815	367337	199846	609366	216102	114964	190577	438023	129786	522068	431146	446892	540153	47498	459733	289886	262704	443230			440805	392340	565280	186811	480120	72903	804670	1275574		1321017	193073	365919	1867431	69978	177384	422066	454562	378459	345099	321006	686477	185360	628555	267581	508534	360374	589235	291777	428139	229804	327797		733153	458964	594461	316911	699977	391130	610881	603464	169017	1082169	422968	1093308	876655	882913	199490	125534	52308	767411	221636	70817		494129	132855		262455	353968	951792	792441	496774	338575	208733	313644	110201	85326	277759	117352	766128	621457	419062	46020	162150		120399	586067	406247	241977	654357	189273	89552	249390	148188	434638	422643	347146	241764	510268	660792	226276	135263	621940	428457	163067	277997	518986	137199	340525	1297177	989156	691069	41810	124754	665500	220102	605154	341746	1144917	329848	436552	558166	129884	903319	255701	1140593	261201	282094	204207	439771	162684	272230	546454	247913	358141	82647	114137	149125	690391	479745	305398	267745	189124	226780	369869	325685	577636	713436	794159	675581	430204	1291257	576406	359497	420337		176051	138848	194109	702300	272010	306520	279099	123826	256183
p-hydroxybenzaldehyde	140897	153826	195948	183663	765748	153693	721605	573930	608771	414762	322151	226266	361667	499288	251541	552641	282795	452778	642889	404022	627995	678767	872749	587017	276825	230460	2571285	263992	229606	1606269	954616	185299	1025203	1173628	1536468	2169887	527569	341209	196909	505595	338596	1421628	233176	251243	1365574	306997	856076	742961	2186165	671287	407141	405027	288174	670972	195292	298457	388778	212210	122162	400988		273936	716009	289716	433518	366603	1363542	467142	1247185	773695	171629	657186		276941	313086		433284	179092	385661	453105	645931	308760	280504	225214	295222	339361	212633	296402	418454	574440	231873	279778	313598	341807	340758			221642	560187	473507	467808	467422	222483	233009	343346	274317	309320	606512		452976	1059440	669214	207615	292925	283723	352123		331623	554177	495201	176809	447843	1022334	1275627	400704	202544	356112	636164	343285	223778	232678	973627	315181	400133		1398818	533452	344569	876264	215715	161370	411267	509411	650815	891372	510456	425385	186567	313088	475892	260716	190044		410586	370325	444542	463683	545506	218167	640161	415291	581068	1049120	660521	773335	243843	263695	172010	492150	194254			241865	561296	158532	333707	2204530
N-acetylsphingosine		941937			62331				357662	79292				212280	2956577		673383	1741370				862397	1069034	277360		350410	93505		126112	274842	641631	552488	7730573			1495595	105805	21638815	1990780	1446408			4310179		1356502		503100		132561	241699		3738118	1812697	2152953		8166870			3791338		422648					18699613			969619	725678		7000522	91787	3222934	734660		364304			195549	241045		329958	1089481	18570163		2566915		344173	2901041	1046521			3068679	9788181	2698503			1362938	2033753	3662732			773399	975916		5729592	21076355	11406943	378208	9127496				6140108	1218073	296770			1111827	2049358	10436815	7169826		923639			868643	1273534	852967	951519	1386132	2744740		534302		76566	114192	6764196		2296766	2099534	2207454	2056671	2451646	614494			885020			688985		1330330	908342	337641	1035492	3236414			1273894			1365460		12314587	1157934	242264	795962	705435	3782493	799425	2140241	6942180			
nicotinamide adenine dinucleotide (NAD+)				57464		94056		17989			47087	2605360		150855		77745									48206	46572	16208	29066	38418	32252								42393		37865	27218	22442		71751					41355							94226	161043			131795					34114	82039	35407	64455																	97918	82743				32737	51973	53881	42766	25658			29345								74309		58322	34841	35148			22707						27158				28100	88138	93731											21920				41735	17546		61184			33235	42171			52846	21861		35810						69017		51038	34776	38326		37459								37596	37108			51370	
4-acetamidophenol									15457441																										180747																			3815624	2197356																																670980					2452783				82926																																			99620					133641															5087941	2635703	444573																104780								
N-linoleoylglycine									174168	128972		226838	543027					182564	147393				492663	205319			158717	268688	668413	263415				1159972			349464		391403						155360		181838	160288				1870448	858582					357424				1105707	706427							202959	368941	894823	68695	155271		269185	1106189	908052			225893	1134604		716632			2212220								214142			629274		883381	2250848	927209	1077491			287007							915218		685571	389009				314132	340381	606598					271441	290866	101765	160139	1019890		531899		1014727	220083		359471		160999			329799	157079	416060			1209566	1326912				58367		269535				629978	277648	464120			791935	297902	866656	75850	155837			221276						408228
dehydrocholic acid							51060			277881																			72692																																												1912726																											312966		38071				482276					545853																												143583						188369			196738		2272117			286736															833679							207357		
glycochenodeoxycholate	890287	2524762	2417770	1399445	1345259	528119	1636326	2432469	6903742	8639967	4268711	5787774	1263942	928687	841699	2702703	2363747	4153305	31012963	1605130	39210114	893796		511125	1310377	1673601	5041008	248996	8461488	1139188	1476262	250525	1046775	4633904	1159380	8688322	2723054	4688870	2176315	10849157	3955506	14520823	2666102	1246619	1833572	5480836	2707077	2516862	10255611	1275620	750093	1689997	490147	3050232	1109302	2246665	2612090	6192620	7063032		4275598	5693555	8649600	2311727	3573475	4100630	959335	3316066	3108743	4179395	5457013	6076479	592860	7529690	4042495	6687182	6131927	13414562	1062215	1682430	1662731	2425963	3419286	4396201	1769106	1151476	251819	887581	2138310	4132504	2633667	2692146	1417434	1897773	5641166	6962932	12033812	4332394	8514345	1309717	3641306	6418041	6411629	1734901	21354044	6246543	1579023	1465521	8065582	4722713	34931725	5973556	8757206	1948313	16848084	11532942	6171006	2059386	5000525	2984105	1274724	2893827	1356097	3767457	731677	831467	3832182	865546	6384032	4173229	4004685	4026262	1179745	19586759	994978	9169939	1556571	4268789	2443367	2021164	844488	1319100	1283097	1083552	8436892	10598187	1373068	185655856	1582406	48612392	1962707	1289686	2924509	3880149	1272227	4902451	819930	1366875	3236527	2235013	2032799	9738237	8837894	6381570	19404539	1647145	3914818	63096902	8065830	4841747	32065463	1448549	1627467	9536351	2743925	2153682	16672088
taurochenodeoxycholate									3265029	9900194	1153395	6775624			1111125	1720273		2632926	6307790	1783680	6464992				318244		1142366	240849	2362297		1028665						2024433	738720		2810364		2523766	1758692		1287871	1696132		3258620	15028209	503686	662864			723351		2683531	398529	3642923	3366237		2080819	21318222	6469097	2097275	1562433		566886			1901030	4298248	2748457	4684470	2837166	1924678	3515217		7915352					1463778		1392136				4660597	2834177	840773	1319197		588707	4676281	4106761	7916018	1152368	6790636		12353983	4399539	3722963	1843852	3856279	8913341	366900	642159	4480967	3610850	56699196		12957070		6673403	7470128	3452979	1087794	2534733	3303851		1123423		1258263			5240719		2887576	1607066	73530688	7847187	1391968	238180192	1412374	7001090	58829731	1247271		1796830	896932	638975	1406635	984984	3376085	4651209	831821	139863164		57257576	1543876		1506909			1824614	548372		8915512		1512714	954558	4531480	2642163	7485831		2082233	227404137	19917308	2284827	14403170			1573946			1856913
taurocholate		3458021	852204					1245652	3951363	11921222	946422	5704019	974156		342024	1190462	688278	1937732	36440538	5308578	4720952		3105044	2075485			7849349		11866220	833720					898456	384762		1023829	1684205	910738		1230211	2793387	490148	576761	867739	933559	6324363	9345968	837990	444209	2489165	1018536	1342907		847196	326141	7978281	866864			84513770	19899857	887568	1165364		465080			3899524	4797525	2593818	3826274	1707156		7035071	1117722	8057089						822013	314485			1376147	10359346	767336	1651468	1397555		1186081	2544807	1695129	4446908	2101325	35116123	2320364	12894280	5696045	3166094	8005889	3768603	19016326	258022	1259239	13581436	9516710	223329391	757937	5985448		13838770	8100631	7840857	926522	2152358	5147581		542661	622068	1248107			8418713	2851611	2336325		44704672	3727009	1562954	50389625	1728119	33158309	37060721	643144			8159750	879903	854169	2496171	35509157	6434635	447451	43899776	4422523	64286742	2607426		5506382			1760176			13829969	562677	684851	2520760	5998772	2752762	12675467	1716057	2848146	79315494	64069917	7634683	15139728			1877782			20957372
taurodeoxycholate								2040095			2263940	8452860			516386	2227993		1970164	32308689	3740212	6926835	1945376	14622130	4066947	1714096		2473568	1726094	2534449	2713853	993253				737548				19547862				4951451	2028751		1472146		21803125		708914		2137797						3278427				41598575	9705561	13867577	2630752		1065402			16655948	10459813		1844286	5191752	3919410	5586200		13600436				26702569	9200199	6960726					1017286	3486742	1028979	2900132		748865	1434744	5098383			56655518	3268349	1791838		6321133	62561495		39983528	414748	1245575	1445297	4693177	45565286		6241321		3334740		3442778	1083551	5277739	2082439				540817	670824		8105048	3159417														875853	1664828	5608616	5511035		895259	89824798	8753797		2682215					789363			9030982			4017240	4141221	5264822	7213307		2329995		69144797	26211258	14999169			2339564			15661817
azelate (C9-DC)	4974933	4106860	7047697	3895752	3703599	2293636	5320277	10873634	8072896	1793937	4689321	1563905	2330681	3519344	4387304	6670261	6294682	2352108	2492348	2483940	4797449	7562609	3386873	4469802	5968160	7116905	8626372	19494484	10321114	4256389	67227829	3698416	5809527	4332314	2747624	3291625	4378519	3032443	3943786	11882261	9207164	7661287	3420533	6788990	2533802	6643889	9079606	4359959	4773304	45468848	37597776	5477298	7282146	17599680	4497805	7002423	9214186	3638844	3912940	20598261	3208824	3449153	5567913	4214186	4106743	4021345	8274531	4033246	4020793	3910017	4932098	3509222	2061530	2850017	2933924	2988684	7914774	1903682	3971091	6670721	6899740	8841364	8483416	3763360	14316933	6871458	2261249	6313255	2998573	6598241	3666632	5276409	39877690	6263994	3918486	1673222	1908787	2323871	3794545	1920104	3214241	3630556	3187239	3985834	5431611	4832876	6079722	4599936	4094369	2402671	2462078	3355944	5121309	6992338	3074455	4611349	3848545	5421191	20093663	7260463	2148746	19169395	18737317	13405145	3810085	4258510	2429680	2859217	4200772	4155012	2937227	3504854	25644667	1026217	1974301	2365014	1068934	4013679	1385312	6113275	2729150	3380576	7132706	5632355	5599119	3744074	9459019	2315104	3935618	1910154	2798986	2566116	1637376	3940649	6946386	1818962	2103698	9024449	1445400	7235698	12617534	7702342	8462108	6623105	2853965	24261797	4552944	2165866	4580629	2770263	4805078	3804197	5649830	2770786	2550964	3890037	3475346
3-(N-acetyl-cystein-S-yl) acetaminophen									5453477									248542						86327											247140																				77879																																3116193								123122	210266																																			174581					68343															532036	374122	765070															253908	90502								
4-acetaminophen sulfate									4482993																										1379528																			152812																																																																													68740					210746															1878372	399640																	1541907								
eicosapentaenoate (EPA; 20:5n3)	437395	676911	1052738	726760	334396	715663	17495510	7788746		995053	1067229	1935588	2249386	998021	2744149	1193038	418514	2065969	1034777	504382	1733597	322496	11830504	923690	2089290		1343833		7184981	801478	487274	338133	194977	1956218	3040696	2360960	866106	2724627	645017	831095	1443795	3256312	909049	2691021	2344409	21001466	4524393	1225700	12245250	2101330	5861056	8376629	8360801	1663975		617389	1066360	2672310	1941763	321335	1506859	3288374	3606542	2002859	1349048	3389891	2218638	36939296	106543728	6339029	3191319	8378555	831458	6722288	2507799	806053	2444326	2664346	885583	2281933	1925711	991453	480829	1933109	1086114	1512155	11372071	1312731	1426715	630502	792551	1668773	2984461	2603845	1945318	4295781	2875818	1172951	25448135	1378098	3917061	2478743	6013245	19744260	273760	1524701	910019	24915026	1772280	1353797	2045704	327482	5681651	786728	5854067	10489670	1314081	2062318	3995887	3045191	6100530	9994968	553457	439230	589964	692374	4177961	21318686	5979671	1240696	4482786	7021995	512933	1154870	345417323	2814464	1466210	10578861	22031553	5956950	1149173		5315134	2338576	1955241	1291335	265076	12527359	7279823	3577364	3547694	970239	501781	1095947	2855513	516056	824817	1903502	7602274	18379296	6656986	5440531	2237691	2473919		21161951	2651105	3211814	1799089	3835858	977181	2870388	1743217	2434953	457821	2537326	1152702
catechin	50367			88984	17146			718762	35518	157057	37989	38925			254325			61181		63417				1811025			1106209	28575		528817												104248			218269		1255430	92994	768588				471345					295507			116824	176291	1436348			184018					111657		68538			101959		171536		185461			66733	208958						47644				270956		50380		93736				451706					204290			320920	210988	116692		33240					859562		20063				69053								59422	591019		508021	143540		63214											103575	125149	29944		43546	43067				391356	46675	114747				525922					77855	61851		48536	134000			78985
epicatechin	83512		80778	101028		32625		3634336	29914	78523	33955	108117			272288			121644	104839		57683			756452		30937	1446817		106961	122678		42384				39904		79510	69528		29053	52622	85335	121347	256945			134549	422856					73826				216691	97904		318594	160788	301989	100632	111716				84585	844534	1049590	403562	258168		199180	80178	189927	186937	197640	48754		94125	128118	1193930						87841			48299	251475	47933	129172		315058	56840	39934		160927				152137			45868	489068	514745	242444			112555							21402			183789					27763	45934	77875					228175								133063			38678			131768	128236		36501		217502			48288	46098	41436				250163			55164			38352		107041			570633	
benzoate	1872933	1684722	2597468	3088214	2719429	3276358	1830464	3770239	22160769	2358633	3145969	2183791	2274941	2100984	2727946	1733569	4554345	2779338	1909528	1667793	1891887	1468898	1169497	1578670	1466438	1406203	4248347	3887090	1603362	1814374	2378390	1055772	1404012	1802731	3288497	2388316	1372237	1095950	2770994	1397925	4399839	3222693	1973129	1519419	1421387	1382424	1739758	1577312	2165472	1475841	2211596	4365452	1417015	1556120	3078342	2660428	2783528	2202702	2372876	3141100	12309434	3268863	3201956	2515585	3312122	4692836	8254304	4341058	1736943	1692843	2049366	3201595	12478725	2816498	10486169	2650034	1420453	1535517	1141110	1842292	3085994	1732463	1337010	1626266	1848056	3803494	1613661	1640626	3570470	1486511	1687897	2699132	2055983	1984455	3806465	2364444	2161305	1092800	4734346	2151077	3705092	3623696	6174079	16018095	2026299	3577085	8307907	4197995	1700610	2686188	2388599	1258552	1834123	1522341	3027956	4628986	1095404	1235148	1715668	2787220	1944611	5367361	1405717	9136619	1016489	1580366	1988675	2711140	1779548	3993537	1897642	4511155	1330533	6301553	1690235	2219991	7369745	2721992	1437387	1637250	1247946	2566534	1201841	1856423	2502048	2600956	1468478	4404686	1855008	3890079	3416868	1599803	85805428	1453434	2917106	1640006	1069547	2840290	1471657	1214200	2341846	1783528	3430538	3710436	2922273	2057933	7787981	2496968	2646766	2124023	1536363	1362444	1633954	3397071	1713922	4089512	1063787
3-phenylpropionate (hydrocinnamate)	750462	2129104	1839530	25053310	17643423	485825	14096336	88955562	4159642	6951795	61600710	2237798	58873424	32266265	42551617	31190271	559256274	6175903	3780683	3653862	2344811	837217	300312	233842	2125541	5218759	4310416	1423384	3032158	5472374	15638579	15905853	11241759	14071632	3860170	955580	393023	62482870	489049	11845149	18364056	34878070	178844	504288	2369262	7992817	11224270	978888	38931495	984480	9801566	2147087	18998243	58478667	1363676	18766048	24085848	2316243	928023	49380905	3691459	2425632	7765774	27889728	43554743	3638242	37623787	4221835	6139582	55066570	15714383	594770	3065929	5023127		2111040	902884	3103354	462035	24368356	30403781	37994753	33647479	18124424	2860545	96230598	841530	539203	5189598	349142	28184842	23122146	18370653	31761909	4695210	6708311	4727769		516069	4155450	11934710	1325417	874688	1457795	20605479	337070	41933429	46368614	4874879	329120	1303334	590020	1522567	896498	135899225	5702885	97332027	13332152	18402437	1185944	2498678	295304	2460514	399255	727606	1017363	18909341	4177611	2383293	1141463	73253	41530963	375874	38468251	943534	2727991	94266133	4133092	1039502	3154567	2308303	4530587	1845291	587782	6385257	9558055	894873	13957750	6326641	3993204	6274073	180732645	9277196	791204	580812	1023979	1488685	67766182	550989	1084652	14187827	3362265	16908622	41930051	56990138	35082902	38220948	95999	6331606	679828	533806	1298586	3353766	2266201	589920	216610	1211040
phenylacetate	4020548	11373659	14400946	6658970	23979144	15766384	6881412	10897784	179918	4179951	6417105	290466	6169172	7580959	1814764	16592560	15896330	5522537	5774518	3568500	10210988	15434496	9620908	11372343	10062248	21242134	2473273	13608900	6400972	9235997	24597781	14186809	29993845	10947773	207249	7615088	4115171	7096736	6453261	9195408	13550768	7326978	19383131	8895284	3368296	2181608	2579176	9486456	493691	14740337	13524072	18834268	16172878	21762088	20195221	7964537	8323839	12127829	25968415	15573212	16098786	4529151	1026239	24050867	3209626	4381333	6109263	7442008	39382790	11639016	7819118	12203015	6569063	18988647	7364778	1957279	8316862	5719004	8920854	8967877	11099399	8524702	20126307	15095322	7065229	27258533	13531458	8430190	4368723	19194837	5526572	9883186	9415422	15072771	1728131	240584	3289601	1540269	4191133	19538498	413499	12619625	3998560	16055056	15906873	1339408	24115951	1581054	4471651	4744673	3969308	9909884	106347	19289482	10882076	850234	11808008	17969709	8641793	11078151	11586691	5400713	18804916	7380247	4075904	1969001	10747344	19133685	1329849	9491709	23162452	975447	6663003	112733	16643341	5049941	139743	9056500	3475650	15538876	5899798	9109955	83852	5208333	15713617	2190893	16505991	116919	12021129	2205895	6999818	8813800	9448951	13035016	9501535	9606210	13112854	29424922	7768147	8563579	1147082	7308353	18776094	5712655	14882317	30095678	23977795	10969703	3915948	18489520	26381251	9587186	15496040	12322002	4846722	7035685	7692685
hippurate									70352	40299		103379		281822		79416	491066			335559													333667		123149641		240646				4430619				177296		275722	174070								87765					16944420				572400	3175085	308426	125270							9488419		113263			253809	182466													194800	6699489			146802	129423		184855		123792	93444	1312931	1951545	10544051	372470					326416			26212323						5789127		7130829	177495		110647	92641		9683127			1285013	105105	2094504	29019978								5540999		614467		613330			7047048				1702113								9584330		90336		79652			458709		108314				5379066	
xanthurenate	39830		84092	561489	485599	85802	924631	524382	991102		233828	1174377		1311514	1260817	1157595	1968764	2938813	102363	1179632	263832	38812		597010	133227		220589	427850	446451	966723			260217	34292	600155	88530	409716	145772	652025		366016	2758566		327654	624779	593128	720379	277709	967073		152261	109028		115272	61634	117833	393208	160202		871950	191908	175111	192764	166651	653236	116100	499125	82593	83043		519346	1333444	1562142	1065117	906300	928911	203012	256179	358566	539785	609593	425304	1082258	382233	881273	1182416	519556	41241	529968	530131	1842005	98577	59148	996775	401402	333859	418587	217140	333144		35127	203893	699754	63155	465092	509184	888608	482800	1035081	1281239	771053	772616	845121		554960	735052	62191	78632	301130	235157		290338		167766	448182	98768	148977		1032182	744544	571888	1184441	410507	831416	167314	461553	2590869	526295	196129		308062	668878	503583	1070358	36456	724116	257001	913105	163560	934508	665190	98835	625960	72863	141522	186677	54813	307614	221961	846932	236685	807419	203439					1069844	553879	847441	679306	96252		106582	123164		89986
3-methyl-2-oxovalerate	510612	809638	357462	1784091	6876461	1018690	2819678	246691	354449	2961605	772881	687647	3008686	2224905	1151633	873390	246244	5019001	5145872	603931	1462503	1434204	394016	867043	869660	1499727	2893067	387399	317934	1288186	8901936	326879	7486373	2867665	1043379	8180240	3215600	1644680	2348012	1712008	5638727	2593043	1997943	1523337	369082	3578205	1217614	4100938	1103537	6299867	3097984	844606	1923869	4511298	1637005	6478887	867434	1885181	1248027	1674044	628737	1060111	1416992	2097494	4758287	1264692	1843237	5701566	10166818	1123825	1297659	4491941	1360171	4545492	1535633	2145821	4406973	2547488	456789	2688619	4186334	5850907	2011434	1863363	1897260	1005521	471913	392127	792354	3924955	3196423	2396640	2623938	5908051	859065	2587502	337899	1067152	4888545	6521200	2645619	2512887	1891134	999003	1437151	3377193	2080293	432731	2207685	261506	2792985	3672039	1410007	1509631	1276627	1377373	1246771	1663151	1822667	3909438	1401667	6957473	5868764	8962364	1674939	582332	4825921	9690655	255987	1400768	3802389	3910638	1836403	2564352	790333	3993352	2832860	5336236	3773042	2162791	2459819	1119681	603947	8203439	3810792	3617181	1078238	12331516	872531	3023979	2643852	1754559	2250950	1948389	2532176	1844617	2016054	3656386	916090	2611843	4347136	1811549	6918431	5689328	1281718	1122131	2256485	2811597	256438	2298315	1493282	1320479	418471	626468	2578559	5680520	14556126
3-methylhistidine				96666		79719		57825		205061			359654		74886	1247892	260924	100823	208516	1385779			42842	59203		52855	125868	294359	72042	181390	199669		251994	308585	3208631	91141			219112	69057		27134		219059	182798	142875	5098504	201248		28157	133229			208926		877251	289629	68522	109986	343671	51616		29113	140704	164639	76564		34416			103678	84125	108620	542860	75917	922268		39953		249864	460839				601229	1648326				85830	76708	98317		198928	62696					91971	83783		3599485	129269	73567	436796			209097	61160	401739	95316	187169		513991	132304	159871	91678			100936	135271	206241	698809	936536		654979	70169	42486	99660			255662		747798	87674		262237	40647	105701			295517	155905	68888	214824	182976		179154	76039	100209		46659	53519	139964	41104	591475	120785	57613	240617		64253	60430	244587		54850	142653	252500		320751		140026	160734	36989	394776	83509	170593
2'-deoxyinosine	10096733	3367940	7340722	7927533	1847288	4291439	2031217	8624509	7816095	21288631	8621723	2007656	7367952	9621723	4688723	9013981	4358879	21912869	12078350	1347301	1505697	2473357	3044640	8758197	12711177	11929406	21943576	332163	5448884	3551288	2411010	2173197	3110542	895388	6987979	3838354	3178987	1494836	1811832	12176070	24909372	4964689	3016752	6779275	5379888	7311191	3391280	12229469	4151562	3713527	7077701	7445468	2217738	12820018	5274048	1584030	6688305	8353091	5887782	15092716	8883446	12677623	21911087	6551949	8484584	7973395	5580407	15738266	1613821	5150298	11884964	548651	5029430	7699569	5762927	14757214	12375392	17841478	5047884	15133226	15434321	10297081	9641392	3675157	5911690	8100907	1592514	3804673	13151117	15934045	8645198	16270448	18410846	8301759	4475594	17178846	14303677	3179672	22950649	1957563	12765462	8504848	12341434	2945919	6501876	7134018	12859398	8866726	11995310	5473696	22446498	1857205	6700528	3606423	4924449	7611073	5171243	12430903	25873799	21814493	6438328	3395207	5036354	7725070	2768197	6491680	2900490	6145703	7053787	11178922	4329469	47046836	2955777	5272999	1325887	7982912	11106438	9224084	11853977	9530552	4515698	12968569	11731249	12958500	3065609	4568687	314377	7672082	7930033	9887394	5293138	7393459	11254006	5626605	17281418	8184649	7415118	12727113	2963215	12754962	4932086	13142907	4240551	3946419	4831495	4072413	8383195	5846893	9155847	18269393	10221040	3390528	2901897	8610394	10879551	24494117	9097905
flavin mononucleotide (FMN)	116385	21263	77034	105003		133143	36322	346978	73751		458919	141608		51336	91257	151976	112018		35225		41313			34574	375719	312053		39847	167629	92110	166614	48883	96122		77629	53455		71404		185342	65888	155102		90710		61752	258323		169873		192685	28090		26112		28444	252657			287602		38247	103679	54379	192751	227555	157206	135276														29984	41215		410733	320056	115145				91294	57427	51673		118098			39936			263760				62054		60682		32799			20475	99252									26801	189855	120197	131853		74646						47557	98550	33409	52229			27547		92543	422753	63146		92359	207404	513306	141582	63013			131902					265368	100311		219005		87129	93998	155440		46274							30170				
indole	88537	178608	169417	153159	766650	257256	216927	57241		154963	115347		153266	247206	62869	205983	387088		320200	148362	294949	589633	200013	893047	218634	844536	99044	145234	140029	288750	731822	539497	767128	961667	53880	169247	233881		166681	160398	83943	175317	1195523	225270	78476	49499	63499	106206		60008	125290	85022	67887	750221	145860	184011		349173	519794	59501	810738			546934	89164			165282	667124	181715	178645	86560	118313	1900226	223586	114514	230927	260917	848589	2408545	2168533	91163	647124	734256	162090	279070	371929			617700	305271			287508		177392			128930	204626		936643	117414	256324	360907		528025					126963		632111			340284	644952		110364	92804		809279	176261	191749	131107	409950	237791	254019	405430	219277		251608	62153	414860	81397		342548	75310	727829		145430		129285	64742		455149				180189	279326	108192	321058	147578	220403	242305	362232	129456	391947		293442	217398	81461	120226	330148	1170905	149739		1065733	430521		305618		423148		254228
N-acetylmuramate	3080953	5260157	1846856	10009397	4216846	17659606	5776192	10127888	4181236	6047911	31592793	2872966	13611591	7999821	15255070	22741809	18237439	37156804	7667007	3939226	6434195	5261546	1270543	6205623	9564095	10824780	14894570	1403165	2829425	9694026	13163822	8887037	22837505	6692561	10890058	26410339	1883096	5271755	6136890	10518664	8017741	9278494	6334186	9463727	3072774	16993854	24461300	4946809	19585957	10013948	10680161	4367872	16093670	9058407	1819194	35408995	13686570	2984689	3906819	11638826	5204328	7167462	3583279	5386657	44875368	17470905	29971704	12639749	25163628	10273431	7074952	4996518	5074643	18077577	5693614	5216505	8566194	5659099	2283713	4683838	4962466	6951601	9918296	19669166	17881905	12374511	9010929	7211019	8505854	7950236	8930741	14745358	10707093	11203764	6638066	12760235	5828599	8561761	11321964	8606246	1611554	3581565	7446575	2296166	18274308	2959764	19351195	14930231	13021253	6148123	5654312	15722159	4937227	9359605	9609483	6807344	6837839	4622974	11310152	11566618	19703459	20576887	25511234	14220400	7473985	3764695	6821784	5337410	8704617	7940331	5108488	15896250	5845449	9291167	1889875	13558324	6377619	20781254	10212081	11569484	1380850	13763981	11265797	6609601	4985806	18676420	9375824	8321138	8069541	6134632	12082184	4833667	8997435	4668163	10034916	7390954	12047306	19969641	6633574	17077422	9235056	11435791	6993181	20564311	8007511	10650472	9828840	5747162	5578307	3697160	4772996	11986404	3177952	10693717	9170471	5621437	22734184
tartarate			72672						105587				69609				215859							74741													57214											160074				61985											197728		4280284											794269		183877									90362		594764	276662					144307	92623	486084	189415			153139																				93550				973111	422100	454523	141689	4967291	103958	229705	48968		7768716			82342			96586	6565436							755629		458617				48346					60631						174974						553754						
xanthosine	74255		258833	47023		114085	915124	427317	139640	614395	1104569	1969326	513576	283142		535685	545179	275952	341773	401029	342605	225892	245246	334015	68685	35204	215594		466609	310561			256946	127738	779717	867671		77118	286628	65104	912559	639555		1630181	103231	1546326	272566	321655	305656	603332	1805064	337391	218695	88361	49873	887961	993527	620706	238457	2929132	137391	5288155	1742805	616860	2001939	972557	540578	1387159		322521	206925	70489	243886		316693	465814		462339					235044	101658	275799	754566				560007	23561	453228	733171			930107	173648		521263	149062	95206		288833	328610	986948		1046123	45881	1171151	439431	557323			109431		193444		370599	649069	425398	357464	42552	1399105	1082979				344725		322968	274552	601727	110683	648598	251992	1210802	256605		149163		368608	556284	518722	209342	201470	1582887		512401	835755	1444868		237734	999348	326316	516240	83178	182826	797685	365564	485168	1500480	806858		287692	363570	73946	333707	188578	564236	73785	171414	53646		606689	337006	2013897	
glycodeoxycholate	441281	3385044	1689621	865267	1021571	697968	1803154	3433048			6142039	8948356	2223208	1198170		5556436	1309446	2701441	24316198	1109973	24377409	1023380		583109	817348	1713398		224130	2178214	954218	1880027	371869	2043433	2212592	951913		4521807	830732	1459105	3314689	1920496		1316245	509263		1578416	675199	2301696	2386666	1735617	341923	1529421	757406	1584992	960713	1896915	2974354		1439029	985591	2619701	4579003	4517917	3531446	2943810	7064974	252823	1835556	5269031	2268009	3352916			3492508	4930237	4575907	4719326	6220702	2588618	1525569	1579634	1952751	2431646	2105930		989766				1622131	1543882	6236295	2549739	2297174		6356308			7032949				5940609	3197075		18309791	428861	1728417		4153210	17341517		3664761	2493250			1680850	1639547	2764884		655471	1549302	1149613	1413246	647936	1224744	2067548	1177907		518929									1942890			108262	873763	801883	3361639		1093134	66278346	1038562			383603		5435673	1031349	3434130	474913		1571496	947890			9109253	10320995		411316	1351326		13704092	7045811		1709099	2050214	9560160	4468613	3133298	17464965
3,4-dihydroxybenzoate	293092		340372	460421	714006	443437	699072	2582611	1118797	284879	374545	2353692	231904	234660		213205	488698	288216	275950	268200	285817	302108	1602987	1430082	539851	284464	592817	242940	316987	736160	548917	156578		221254	430167	270477	304054		191321	323938	753940	5613569	71825		337428		1549086	432739	1106687	153920	955412	367524		289774	2032779		567306	817832	570634		638466	1079493	1329849	173515	2039203	263036	860830	380135	328108	289465	726850	516107	1647775		737590	775756	381087	1682915	230962	273013	238990	285082	193114	202829	362960	179750	114394	196282	457936	323899	432016	301383	274118	1509027	868100	360958	576734	1974301	711655	419375	1173724	699169	349898		402748	686347	274100	455445	175530	563177	833155	602313	684036	87941	496571	824860	146861	451395	1192124	324162	198718	357781	246681		458678		294725	117950	593823	625567	852447	1375511	132401	901301	301747		587346	359626	440195	801917	1071295	685899	586424	484796	348053	663547	250416	902398		535964	3925738	966003	269575	149778	133272	370579	401685	523604	301601	521043	442009	287172	621692	367377	2098151	395478	858820	2834843	545509	1100790	531954	200934	173574	600206			162225
3,4-dihydroxyphenylacetate									162313	142410	62454				1289024												119886								236312							107237			457281		288898		3671000			420705											277240								337290	1844730	110445			2452412		1966384											264653						92286	421164		3106289	379453	371798	521226					371011				418871					70450	271965				168628									144471		84067	621300	62196	524046		383039	472493						7475000								435596										138814							2636071	765838								
paraxanthine	103851		72926	76625		189035											121919							34935		92585					417058												157960															74039	162233		905913							97257														204955		1172294	136942	259749		464911		106429			48806																		159017	94705																																												80952																					
indolelactate	480376	830893	308155	3177732	971805	937030	964466	824218	34162243	289884	1447548	6961647	1204118	1120404	2209746	1095703	767051	1674208	2031874	4928630	1198725	598023	851392	929541	975608	1200485	1611414	1353287	270903	1767767	12973027	440833	23523449	2766495	3571543	17814331	651858	1866334	217892	1032525	43578229	197182	1113574	1483536	6569519	2479332	858232	1708811	2026572	1576844	507095	357108	2546033	2579482	304894	1635708	1121145	2924160	817520	1633503	585161	2880656	77746540	1201442	1069539	1807120	1892999	1326426	1021067	1373529	901587	12481179	17249551	7304168	5921229	529792	671416	2477391	477652	18671957	16057485	537527	2290398	895666	1789100	854310	713418	17822822	7089076	3135198	786002	2019594	1569987	2401498	30905537	1723406	9400863	11020281	39820649	938014	8761679	7469838	12728283	924767	1114860	3505702	925973	104049259	3805877	24795566	2720300	4235972	5293009	1062874	1742208	6212654	1311631	231863	1460553	1418178	676054	2587379	2843049	1151559	947707	19702072	18738693	1538110	34092995	4465495	9022383	650931	1315741	5653276	325839	5135090	721995	4619173	3116684	1350962	641252	1545186	1088800	556319	1535262	6094294	459959	4962497	1951685	3580503	8989239	894542	13387200	812086	926243	1936786	1608967	3288482	393577	3993474	3522093	1754930	911932	5826743	4545127	881909	378985	11127828	660755	477009	1316267	3541383	1663457	1545856	1286551	255836	2691212
3-indoxyl sulfate																											118329						133155		17838169				326514								53633	97177	107914														156771												450637		42339	68409											38436						1797274		58862				150527			534917		1054667	832978						42812			2686088						1531420		165294					69745	119211			106443	126025	280679	1609754								100073				212111			419431				26622						121723						3781795		99243	82472							
gamma-glutamylphenylalanine	106182	54127	126583	179467	274152	54206	507835	196932	109576	117240	345126	131957	302897	322195	299293	457533	46931	322675	218567	220985	306611			364420	306861	447740	98050	415366	37681	612051	1013424		954726	101592	256241	1102353	42507	152711	330607	359219	314266	307558	247127	519108	175829	478688	222885	398206	282243	458433	359967	337862	144865	320612		457644	308268	451876	234094	535442	301343	486149	525214	161162	742667	329547	762802	670307	566182	129253	78106		343718	152049			399853	101696		251729	285618	673350	646070	312435	286256	160607	248995	41422		180766	127372	686264	538665	346089		94429	42019	1753458	466523	326078	215097	462339	153171	32169	223352		367718	384936	302880	243034	366851	406815	2725360	140794	483837	370304	137595	273623	306664	66358	305746	883716	746869	593322			505403	271468	471276	249693	870584	242791	344947	525899	145133	629870	199119	892931	147315	107026	124756	191652	79342	203195	444570	193331	251923		114251	88457	613603	385961	244456	234346	122018	170752	242577	251707	254057	604758	1367914	521836	314664	935526	459029	364699	377391		153917	87695	177685	535597	168400	253969	202325		71873
4-methyl-2-oxopentanoate	642456	1006670	718158	2255949	9264512	630540	3366445	467265	464177	2285536	1250164	1140499	4390080	2941485	1959576	1907517	394476	6910386	6584170	776160	1881401	1859047	767173	1785057	1032433	1838604	3348174	457201	519211	1416969	11223929	460903	9116922	3482551	1297696	10559062	2854311	2202416	1824067	2311180	8582600	3743634	2277712	1888551	478786	5098011	1707801	6426362	1666580	9933799	2918553	1226231	3693446	5747762	2437418	6430366	1258450	2402508	1715392	2484603	1024500	2653778	1754961	1698876	5904738	1474562	1948087	7421642	12032857	1624873	1501208	6763485	2611491	5906546	2108420	2746097	4823716	2942993	840350	3750740	5628834	7357665	2473787	2455389	2370117	1636224	702399	1088399	968278	6785267	3822398	3419359	2503550	6696714	860371	1752028	1165996	2177948	5576328	7615055	2785200	3165928	2076461	1683030	2140052	4486049	1768251	620492	3570884	402162	4775413	3996881	1670489	2241018	1532535	1486898	1610376	2703143	2389073	5208978	2187121	7403300	9003566	11689823	1895179	771687	5854134	11621473	330711	2027702	4807683	5863207	2104122	3035180	1009352	5044034	3841771	6114567	3535254	2368414	2007331	1165356	854253	10276317	5173907	3575654	1270161	15774442	1317973	4280415	2533522	1858732	3057739	3274081	4057303	2429174	2158779	4544399	1304237	3032412	4226891	2658044	6975356	5807060	1885178	1725171	3059238	3365508	464473	2448694	1893078	1744892	605676	1093639	2724635	8665338	16458704
1-stearoyl-GPI (18:0)		235370	192183	2893224	125079	3199995	2007931	3870946	3243694	3022974	5931433	32009948	806264	4467112	5660501	38552	1764573	1108333	4484763	3450255	1625076	3239748	7129577	1961884	113411		1053744	147211	870333	2122727	250690	537054	76013		2753661	106510	831311	246526	1071873		3219847	1317327	474308	960428	9831999	3085033	4205928	639264	13255162	263253	349473	13254814	6632863	100729	191769	905230	997244	6464324	1644512	5994335	1554921	3252430	16434855	681310	1986111	2786395		2367424	1076240	352350	20290266	13401216	2954108	4915995	717153	2498711	952245	7354960	315610	417775	222037	222575	307239	863984		2430595	4092004	10837139	4052356	491979	4652642	693572	4786641	1076210	19126823	58776610	4135616	13587549	3011042	15024494	9551318	7740404	5619589	4579793	291519	97466	1613800	3072228	2629573	1047104	2716527	326097	14067793		11620748	4251781	447391	315603	2676830	1297392	6039616	3606329	1183022	2227842	2085590	5004437	16751023	2850295	1310702	1807350	57939350	745152	4010960	6967106	1081390	3593442	1089038	1499978	1927427	1664674	2048797	446152	6624815	879129	5376407	9499802	1229671	10478010	7498699	7721747	15020116	4941011	6173118	1470839	1452698	390435	964084	1635238	9597511	2510490	1306524	2183904	312654	653497	3807930	6028867	4688061	4227996	2323413	3256406	7720974	310184	1306697	444250	301174	1690506	563870
docosahexaenoate (DHA; 22:6n3)	475887	4069047	2140240	2020387	1759945	8620448	45473972	12708406	312459	1006898	6018598	8073262	2786053	2269830	958211	2295356	381798	3583494	1565642	939986	2742639	1053891	47211494	1428562	47509033		1093214	549314	421303	1515586	980006	417546	315584	5573467	8857228	9043628	1637395	10334668	1448659	10318466	3433758	12119286	3482224	11240068	33784006	15215221	11149743	2158609	11640013	6252061	5078991	20192502	41652487	3087061	496507	1221637	4961271	3128121	9935150	900237	1056107	8027951	6316317	9566690	3183676	40029742	5922236	34758353	290693990	9801744	5109044	4858054	849492	47837550	2815538	1142470	4495605	7040118	869305	2315997	1893730	8032983	1613935	11536924	3179119	5276324	58579645	7637932	4206759	1069672	2721666	2123989	8077646	9353083	4865576	8475114	9209222	3580411	41639854	9392554	11468016	4799294	13103985	63021796	287524	4926431	2662902	105586961	11257704	1197655	4085185	2365595	19876426	2367868	21489921	59462985	2323957	30074748	6511811	4763128	62740886	146312126	1937816	599496	2341465	2516669	27395457	44705848	7175360	3154801	8354391	6716382	1163331	589056	1878713612	2261333	506736	12604348	138047094	2149118	2163854	1405812	13546964	4941428	11428607	2451994	439620	24452653	13421026	8116307	16263646	6170623	743317	2032048	3341544	924598	2849588	7994706	17780441	41171662	6633139	12717162	7498633	4470082	4974271	64963687	3592885	4414415	2314493	7511945	16871071	5607636	3785524	3456750	739468	5792681	1068940
alpha-hydroxyisocaproate	126173	448325	358566	407342	496766	79922	108063	160838	3621789	1354720	222258	1395332	887249	654102	3923198	261562	239666	1601225	1592983	2198690	471625	249113	46491	51182	483348	279151	568290	230060	315622	1136693	15999370	151582	26934418	4972116	1325332	19922281		523639	356951	227629	559840	139877	119860	182886	680086	625404	798872	1606725	35021194	2039970	152687	141335	2536075	708235	160594	1589620	202430	755560	121617	661242	314619	144412	916951		376489	98881	558391	940572	3896489	1229887	925729	2238845	5168838	908936	229793	172465	262299	866951	61985	866982	1006543	393631	180936	920920	204632	163734	295755	302779	812290	217821	282075	374645	206099	648120	4180272	391274	3498526	1028236	355829	1106453	43023916	639262	9668680	1001207	317986	3198301	181738	1749337	343762	598117	619675	4723150	1431850		634019	2680213	233472	149103	2648076		207406	573524	1512779	231436	229256	3157785	5328881	1713709	5077699	444022	609660	318740	885797	1640795	368509	815834	501450	2737231	277115	674737	3088418	262025	1336532		1629440	965176		29959494	4189210	4306580	1609106		1501174	170044	163675	301848	244145	213389	147293	1110643	4175658	352690	346196	1642700	248194	730619	315074	356531	1393023		175324	1460535	182795	157549	736733	221785	2505876
isovalerate (i5:0)	27483907	69047907	90521332	29272105	106851645	44637172	66095842	56234329	31970941	93129752	19908844	1441206	76024970	61410034	7297303	56622562	61653526	98835830	29020048	9524733	42951208	96908956	12445388	41270430	28173903	62763215	42748652	48146649	12650916	44266064	99185392	44438118	137759793	29229813	1002782	30775731	40869456	42881272	35754411	55506207	37332262	58008683	119444578	48551697	5947098	18474772	4892488	98028311	7029032	87274490	88000993	42950161	19712687	80616555	178009411	63298384	55548607	47698241	132246699	76877164	82738748	34683310	15305271	82479968	30224567	6688524	32456971	77946554	53947319	70962480	58382450	52013976	40740030	165583970	15933837	10385304	50351496	32155003	27060012	76898364	80168062	29198068	89828611	51941364	48161046	100951878	6867373	21970136	27258599	126485568	9733986	55498086	34065379	45722975	7847092	9289836	4031326	4096504	37842215	37525811	13780305	91874223	19419752	24652256	82109052	7589761	67421493	3975423	51602778	18019064	78692242	64717919	859807	176633719	12080605	9087041	23434345	130804717	91223503	108488479	9952964	16548235	103155840	33173370	4893105	11647488	17939833	65979838	17301177	91276418	82465317	65409643	11067482	18978942	10113372	22894073	16643447	41654003	14995877	91836325	20234757	24032110	558800	39178011	36587417	11731461	77620269	7864534	44648270	57728667	17607699	22603265	69759253	150479186	57693020	112016064	64703362	66482361	88390952	16639873	22377659	43911888	130640547	25624594	41021871	85506705	134594897	112189009	53353168	159501740	96985391	27603635	39881727	88885415	73841339	99007849	77456756
4-acetylphenol sulfate												80254															212444																				139721		240037														41790																																177673																					322076																																66803																					87697								
phenyllactate (PLA)	532489	451241	361108	2201748	3021189	2110706	615500	1387798	7127723	4787537	1761978	4445649	2643273	1894023	3433557	1727493	2298950	2998721	2385548	879708	1807501	838072	217108	269287	2154133	3669059		952137		1161096	40133051	1346483	60534300	10185072		48566072	429952	1597163	1027096	2398601	5438769	211641	603489	3090018	2566334	2383507		3749486	2597416	4869028	1313419	826277	6856589	7290349	268072	4365931	914544	1759349	1236272	3644555	1172114	2391135	22689645	845533	1823602	2874926	4165405	2604259	4881157	3622805	1396890	3756847	24680279	2985256	367169		1589632	717473	603632	1615934	2204197	1496105	3311990	2915693	2108689	967664		1020599		5829257	1069595	2125610	1451491	3163114	11792915		4016855	566887	1751338	2413833	2986962	2512419	5745307	1425435	2725454	8353377	722632	152302348	1184914	4212733	1487857	12876036	1116883	2135749	1967664	4414228	1466844	324763	5654984		1427103	2097236	6125275	2870400	947186	2007206	11716410	1841103	10167734	2664323	2253483	2649589	1289236	5536775	465608	1197462	1049064	7681828	2612230	1009931	808744	2710832	1559947		4538138	1739667	814400	8151739	4560096	1960473	4361220	681622	4240155	1943814	1756450	1562062	1773959	5903016		6492939	3568171	5460068	2031035	7316932	951516	2593821	865927		3533613			5871148	3121207	1191057	1033843	1700591	6900472
dehydroepiandrosterone sulfate (DHEA-S)	430566	147683	225108	712319	433645	42230	150126	93039	173005	1181350	199389	676460	1957467	1516848	58650	2404249	980448	48474	268450	19775	111247	927445	3581882	473035				43319	2242951	1030131			61305	676622	826772	259767	180113		258501	22548	465006	1465134	188606	167578	153400		801431	66937	476817			150194	95676	349511	89843	298984	378472	231201	450192	1348765	88059	1819191	1708728	141650		633176		731764		212945	112785	28019	390943	1401925	862361	1292445	2276331	3938013	380433	2875534	2979295	1926541	3076577	718679	270025	402332	293987	2526393	493791	123365	1193983		2165033	738912	996194	897993	364281	163888	101639	249161	3218578	3603134	533808	1462096		2500825			145251	50533	197615	884913	2484693		61063		68831			451824	49700	21377	484844	658681	210650	1931808	1494407	141066	2399660	1819565	652732	833895	100071	1669091	75886	25346	193447	2343374	3591976	1742484	40102		391540	32274	128037	840570		5639271	5513014	3092938	1694528	1531466	1630215	1051768	848420	427919	322223	4503758	3494807	1006671	69543	897362	1728160	1518645	573892	532145	1214928	603691	6178436	4269022	1439816	1074873	522993	1653891	2151805	593826	1611590
indoleacrylate		44972	35133	84633	44646		182580	297047	222315	381789	141643	222302		43162	50709		76792	223584	33986			38307	36275	34897	75365	719337	133474	47112	56488	345503	120179		81603		264520	419704		18498	63351		846243				205489	435239	355601	67418	777454	133542	95624	104048		35654	63098			138082		38075	327972	1069207	1444473	38657	101906	102361	93836	38721	46706	69568	93049	117973	100463	373701		80418	26515	291658	44174	165144	388478		219873	82960	273193	42976	80118	249329	689604	49910		118289	117257	24520	483550	110835	315819		86960	217368	161143	31051	182943	196131	200904	144494	140834	84547	143791	135501	185910	92759	901581	44179	309767	636063	129002	70955		189036		69001	166178	1638650		91406	135014		179804	111411	61463	254742		4773107	25686	61808	975151	94573	91495	56650	134940	187237	42444	26771	82204	613824	252361	270240	58375	269445	167881	54380	303289	28240	105005	122140			111878		260197	45515	34641	90796	126410		1786295			100075		35436	96696	180579	160117	52418	45417
isocaproate (i6:0)	56125	151603	407330	1496093	4925296	2771264	1782576	4699686	524840	485594	220962		1551341	630708		2520866	95445	582455	92507	4407825	1350413	2561445	172506	2192123	305953	91254	6410557	429045	325340	351281	2493675	966972	265887	1166834	67607	1520064	413176	631073	919151	190543		196473	1308769	2034311		4585858	293442	1778030	343062	1062362	1278224	648712	363918	1291235	183488	345963	1966469	4229446	4502954	1235709	135866	719159	7538006	906859	493304		394946	1094649	5153399	178808	185853	1722443		182959		127342	98650	326649	686726		178237	1281192	5027910	3546631	755880	1923683				3717259		1365489	1732238	117437		82095			3319286		119911	92341			1895938	189533	1064461	8934420	6556537	2034378	3449815	1171334		1565069	294248	782931	2555615	1258788	461945	2105228	291815	396092	278352				1221036	27093963	148439	237741	174915	3809742		7320597		304812	6887801	1772145	596964	109795	103347	708643	72752	918433		1811367	1140708	136412	181374	460318		1180957	190372	1229670	236463	1956860	722692	1054871	752133		101447	211236	1077361	1924456	730117	4295551	5163744	172581	609839	2365123	490017	1133055	5172031	4171154	1253334	297612	
1-palmitoylglycerol (16:0)	1507065	4631783	3813088	31761308	3487662	25291633	7263671	23353566	5750718	5776002	18211703	27540831	5053238	1946018	86815208	1797588	21126458	4278146	10234271	8017831	4284130	6701393	39689719	23232200		1326679	11637878	3778574	8960821	23836948	4296407	23869711	13938251	3583294	9438415	1859958	19148810	3523972	5620497	2002542	7486571	13089788	6795290	6385603	7218659	5316792	14594062	18853330	25291505	8630918	6600501	67614429	10171662	2177388	3227836	8931907	7327299	10384747	7644796	22572197	13483471	20397139	49278692	23838744	15501280		9959140	101773354	11018326	4055782	17374401	64706354	9993021	45915325	6305641	31562734	81731293	23476086	7061781	12545070	3311948	6074115	24055966	44848653	29979175	15860775	14908769	22985614	49047131	6329512	8362405	10270680	17061164	6973399	25143471	43633167	45822059	20818943	44049654	33309775	139486350	30338791	49402420	211681388	2578315	49954623		24335932	5789837	8166868	32859763	20274328	45988157	6609967	12417347	19491624	10767335	4134276	6990052	27849883	9779104	7677750	8722707	5491666	10026727	16085743	11664388	11994659	18258716	11987988	127513683	16501622	9735651	5961601	6131225	6234130	4708618	2242205	10064198	16522471	4508055	16069997	18926462	4927315	11939124	4799226	3106950	119050863	160774392	71942574	125687568	8559624	12162687	10627556	13122513	2340428	3458171	5830641	101579986	22912333	2586371	4026955	10126230	13267911	6739223	14733463	9294218	32616923	4970592	8671131	5506695	8620955	3807692	2568899	4435952	140618219	7903123
hesperidin (hesperetin 7-rutinoside)						1060010			1994280	215323	698396							15606																			20825								5339687							459978	80180			28290529									123798						142143		428314	802150	70893	251337		216657		6625045	72904843			218368				77868				8433987	1557600	35089	45491	340535072	2594103	11459674	63272				3655864	1107109			816268	49173					268858		12376197					4418195									1095544689		52019	32861793				83833	185451198		1737501							136219268		35516719		5894662	371011	1368970		179499		284664		1377759		3996026	16418374			3043883	298540				1966081	5340364	712223	11253232		2133935			
oxalate (ethanedioate)	535199	302434	626551	1577705	1610561	794483	5741874	2397189	443470	148754	5783436	2454282	390641	794268	789990	782095	1995923	280799	535246	540624	1139049	1685097	1699031	450054	2431013	2524726	453080	8406329	1716782	461649	1527528	956239	870126	297877	805936	379928	326282	1039769	866720	1032843	1292543	1651475	168116	810324	265677	4133030	7222241	665762	5096039	869300	1046216	786948	526151	524076	468442	615392	337233	357866	574314	742430	502042	1330116	4318483	593813	2498311	1036930	2749334	1311891	350109	244093	212506	303275	270864	230110	306866	231017	839250	425225	341160	516770	528097	1224913	386424	379365	773323	1279391	3122361	1643550	315234	853172	2020168	509595	1241515	540616	5088486	412832	554314	2933755	197103	463820	1385529	270269	246858	682868	642999	427468	968394	442837	485238	198328	477151	519374	806682	412404	556000	459732	371049	573314	428244	316109	477951	1073815	1655696	1417264	4699720	420092	870448	665515		317888	352968	389203	1817817	207813	935816	491558	458541	263691	307313	242680	3732287	3081343	4494723	718126	1940760	1420540	1931335	1892889	767228	504910	663083	1864555	416325	392834	1022706	206165	633485	692414	586396	1035500	1370254	2357797	958688	2205544	372941	753773	317459	369040	638499	451791	580170	147478	428525	272562	238361	2674153	273113
3-hydroxycinnamate										129204								238433	168971		106872								185649	74248					288765													1339656		219261								224644	131335			138410							881310								133569	136843																												862363			333384		2002280									481601		80541		347289				170609													71233				124691	228830		66597	49434		337841					151168				395686	267219							1033239		183770	281419	177320					411969
sinapate							193166	176964	273013		216873	2935241			2246890		957570	321556	68047				104044	69603		149903				107464					851198	148358	239056				240738	807562		458856	311361	172223	347413			54074		572635		166303				107923				546630	757753		534277		202846			71237	76056	118855	1790501		86924	973927		736390				599591			426184	209813		261102			57498		943424		693427		176454	818850		589619	811681	153709	152956		144349			206533		70013			2674144		249297	908382						563106			57999		901355	52906	732036		302885			353107		1554523	228313	104394	104064		147923	3361283	673392	98079	355995		145294	516837	321963	46946	1393482	74091		125782	114985			245793	258222		464323			365044	275424			1179545		63821		129666			94164		
saccharin		268882	525522	1020911	86578	78141		2746672			162947	174838		1091096	320139	670839	92506	6491853	620404		367611				59422	1001857	86932		50295					315004	2420486	3853180				151039					1259195	188008		363988	111809	440351	80441			149204		1620404	498066	10076650	1203321	16488225	13957825	364552	2528982	5818503		82179	239075	1030841	221520				57561	127875	1774886		295876	157498	359874	69350	63522				823218		32492	170001	18156634		88710	144912	108380	820531	7250021	4844095			4177606		3996202	821027				4832776	4759845	135877						6772430		311054			33096	1078798	125344	85404	584887	203455	95831	660119	54515	213439				941943	26202	1788082			299810		120109	122090			740248	75262	294607	799138	212433	584793		2423899	3047188				62685327	9722128		125458	411973		414853	119560	202581			1609023	998932					461076	553592		15792636	1955570	
3-hydroxymyristate	963563	2548005	1283096	1231549	1299982	3989896	1428764	1813470	1537867	1203909	1921200	1234722	1799983	1230091	2506579	1221801	1045698	2080863	2050464	1534077	2117721	1345201	2020185	1150109	1002934	799979	871404	738947	1115310	1299077	1583700	756854	1473567	2963581	1473445	6581481	2542804	2562811	1969535	841934	940068	3089981	2005382	1219488	1590758	2607698	1204402	1252756	1851615	1214182		5255269	1604560	2749607	1159261	1843369	2231593	2681358	2616376	1752307	2966874	2112117	2189502	2121860	1683364	5547974	7530734	2024420	1865645	1795762	1603763	11900796	1220953	3344021	1671230	1779054	1165391	3910924	1552781	4695074	2830962	1517395	1281293	1397036	1152529	1319170	3557599	2440612	1099881	1639733	1440861	1509860	2509916	3870080	2341995	3921264	1350304	2192735	2320295	7131485	1402174	4940985	10433337	2849222	1040889	1793013	956732	1964674	2275130	1529204	2806949	1378548	1685208	1828569	1611984	1681698	1625506	1469842	2640440	1199364	2373857	2856384	1361226	1349710	2048568	2409305	2396447	3575865	2053034	1985363	2287427	7038389	3339800	5883903	6904848	1526390	5737155	1833980	2026992	5306508	2569039	3491852	1585344	1698453	1641479	4126921	988078	2222007	2488918	6018525	3068038	1130355	1929021	2925936	1413177	1674605	1459557	1599971	6104747			3516326		6083437	1497930	18969339	1654431	4168027	1800410	1315500	1246759	2730473	1497315	1752068	2093186	1842607	2827892
caffeate				251507		187339	1380447	918776	139486	267217	405750	1405095			962294	449679	1294106	152954	311406	461574	440445	216436	261430	571447	139019		178180	261177	158846	83920	210749	105506		92141	3621521		346919	486868		95037	638034	2206834	116246	233424	445384	1308788	3849543	751284	3747180	142368	301344	1137220	2295093	237053	79906	222793		300353		181477	177478	1549929	3494849	137696	666930		157440		5536824	253566	76673	584906	1799155	478281	293993	2273964		1684917	67502	179387	139947	346039		166018	229813	331708	488170	82645	487757		566658		197918	146750	1114871	444156	501982	7387079	463909	417808	958614	366144	120947		254284	1493835	1947475		293324	354202	321957	134867	3259562		2214344	13287812	6029121	699163	166691	355998	4142538	604269		147502	1367686		1845101	289901	396919	224173	367189		140965	1492378	577840	200170	10018380	202869	57994	53472	253722	3155118	5140200	2011526		322156		86693	917106		1907506	176505			187729			593957	65585	95340	1194153	569839	98280	1550310	6651102	87010	433987	3610515	122663	509302	185995	122729	105183				
naringenin	24160			48883		2099419	271156	194486	1321997	2453618	328271	2028593		182720	433173	110077	177418	204125	446286	57628		439590	62686	64599		36006	1228026		313262	1459011	120435	52750	67766	248185	1984988		90481		28096	54476	164147	78504	893913		8220128	651595	16688439		12177228	880218		141953	928429	914642	55591	28183314		190723		77926		1256293	2127971		1351763	20926	35957		52718	196085	176101	263962	772081	854246	523735	2088583		69465912	24618	1402232	3445774			49209	98908	534730	360697	9589620	1626478	95595	73543	13737948	292159	118707	1948921	41978906	535290	17760555	671207	182412	6223736	1251680	3064267	5727143	242194	2213366	298711	471917	56931	86315	69082		5555743	23673	3163283	651459	510689		85907	446979	181834	313869	1228964	1499525	739639	220491	1818708		181145314	195347	2060783	22196005	79996	10742921		10414173	36356183	2203004	554488	1727526	664117	72290	122534	90749	1011906	47412979	49331	8445413	43730	3297036	87233834	2461478	452167	105189	75390	350168	160265	14029126	136822	9584894	22899988	2376449	86504	1665815	1417686		265675	1308176	698337	8798170	1813044	3929134	70329	367766	449922	49264	
1-oleoylglycerol (18:1)		12132403	8608227	17199890	7596485		44580179	7602994	17297937	2712510	87361337	272050274	22818512	12105441	47545722	2585621	13194518	4874377	10906055	13022371	12853542	11901052	273990484	88903021	5804306	2374090	26440862	16247139	45515566	14960974	8772008	613672	575150	5536828	16819858	2711454	68827777		17202665	5027199	55494692	144183304	5332285	5568146	24515207	20646260	175682582	74262397	30401649	27357115	2433382	1320407556	215828992	3862626	8385358	9226491	10195777	17251936	15106998	140202774	25897514	264928209	43751268	137670323	31970982	14772061	142598479	8787682	62683075	19432667	42228987	274413905	147898278	112540879	45693985	169153189	122344188	36294818	45203953	79411105	10723066	20459593	4925467	86697227	123131819	25100718	125242784	10249802	137403956	16729308	16010929	32120220	84406995	54021440	246020505	101616489	45587593	7037082	330605411	14185117	948843761	71762941	365491438	2032810241		1732708691	44240832	31016210	8193805	127587340	13643281	4404070	197480529	20125883	739395503	191107664	23911049	13819564	62829756	94445673	43674069	195331686	20662099	5520522	21281699	21709515	24445705	45414857	17957361	32950515	495086843	11843010	8484908	14389025	47757685	11917026	13833441	21357153	28693566	18228517	8250585	77343357	85577477	84858433	139912446	14364045	11006312	700711449	863709242	82687178	180964131	5805423	48697223	74612880	65500130	1406460	2490573	14970312	175262376	191256106	25413303	14499413	18349981	70627052	54251303	39724797	9189314	153299201	25090651	41214825	3375260	28754272	8332815	8791150	2918567	31044564	15106144
2-oleoylglycerol (18:1)		1889543	431805	3074395	1670859		4934920	821005	3746117	2803177	8865838	34672218	2427102	1287461	16034753		2418062		1688867	2300935	1397177	3557127	26773160	22462128	487833	293674	8504627	1527937	12761150	4767172	7917362			1792222	2449426	252971	50095010		15674290	2737756	26033850	47058849	1839991	2687845	15437012	7626698	40231610	38926856	31950424	15642593	1311875	138839231	22376636	1559788	4345027	8273589	3046145	9227246	3431611	44562215	17470632	54748210	28401411	75457392	16433199	2232738	7662565	1852081	46528083	11781849	28094520	151086476	28541927	35843088	6268974	64831010	37169287	14448960	11343805	29314106	3858004	3993092	4294806	12027503	17838238	5957345	74890326	3112959	61671744	4181635	4685595	5726861	73230631	17959040	42603855	36536405	8670868	5131341	30762663	3077131	253342545	15752787	84987742	231659543		184035036	5269462	5069490		14190012	2648363		44148065		107284016	32959306	6993421	2195975	6686138	13204505	2045324	23319781	2834786	5768672	11388326	10002532	6291072	5745504	12858077	6325709	75455162	5259205	1431643	2353690	5846342	2194487	3837354	2728948	6879812	5280343	1784149	23608907	10075744	13570447	14718893	2911393	4240955	122840232	77716289	21501244	59242716	1198074	8696838	9836240	11697611			2372420	46419240	51239478	2968032	2326564	4030475	15356389	7886575	5858353	1384743	24607523		5953905		9245370	1173514	936562	1706978		2044268
8-hydroxyoctanoate				63449	79813		161001	1562687	1556125	234998	353840	222675	95010		195003	268742	224587	100785	82720		71849	308800	179359		120319	67618	2135332	502092	612439	94791	158192		395398	117781	91493	101221	67582			273478	462479	295524		79450	83405	470799	185899		102850			202533	105021	635686		464300	192872	140952		175066		492762	169481		130987		243465			278617					124072	151042	118800		87606	380771	331860	118893		155937	534850	176800	197800	123282	204467	256296			872787	159956	135732	100764	227680		369762				222122	381314		154825	115133		118737				570764		98031	184059	341786			104063		197286	544318	156155	97894	156187	96004	96464	243351		154491	149135	592140				258988	289439		155759	83070	144833	245108	110318	89779	367970	129420	252838	150426	151641	102044		68402					743080		207586	804784	166378		1267559		338014						232024	97632			128451	
3-hydroxydecanoate		116611				77544			198034		81943		82963		172608	91506		120729	95542			53946								112034			90643	63950	114998	124140		83821	75693			67015	154110			101061			90993			140157		93223			83950	83014		65662	114072	128912	84499		67089	97105	129990		84360			593821		303493	119288	115909													106306				95373	93456	92071	114546	118068		157290	75647	52521	73061	223336	138131		170394			77916	103791	96297		103529		102166	146021		54611	41873	65280		125273				125978	116680	205387	156611		164115	204152		346785	136374		219811		104416	158385		92165	60652			135543		128468		237846			263329	101658		113306					113465	112730		146427				187966	80734	67932		175960	79960	90158	118092		
p-cresol	509386	1116702	1114000	801646	4755373	842711	1145265	334876	138086	562781	172326	199488	980336	1201850	208613	1744830	1294567	558343	1103365	418542	1282256	2336822	733773	1230796	816715	3318506	260172	811386	458379	1488879	4454902	1844455	5394642	1732279		463963	1014537	213774	578074	1281566			3779743	823246	180473	224825		960285		1044413	1395088		489127	2150607	883589	1120020	339044	859884	2203150	1082307	1645595	157917		2134787	106527	133108		763261	1744249	702652	706893		946209	8120770	642059		601379	431612	423332	3033092	2892796	482448	2332751	2106715	470523	1531689	480986	215371		1534506	1059202	954856	286236	1344228					548165			2366269	437401	678896	2204057	123091	2824031		107320	138641	245056	2088461		2854972	164782		725375	3017680	359107	215749	216517		2707400	536531	567005	416116	1014953	660544		1508975	793692		269302		865505			150632	257529	3287681		560999		313907	391075	88539	2260208		76916		388571	712299	848722	1410304	367804	1013073	2163062	2602274	411979	988466		671776	2354008	307941	446261	1048899	4037980			3430634	1329016	307089	724802	383758	793743	323553	1058612
indoleacetate	292158	78748	77123	306475	1983379	178857	1944296	1161128	488813	245657	930103	444464	317134	995515	5452310	1302791	279111	3572715	119837	393770	356112	226507	1026262	232949	2049370	322006	189439	132589	270893	400129	390477	390299	421149	211381	330779	1315130	345269	974129	325345	423842	2554185	1570193	109087	112500	283671	1307672	113266	923372	93248	440888	210194	299384	291948	1246981	654054	1158099	386752	2043829	177361	9800658	555436	386448	415590	403222	1738202	207624	558247	123147	3630626	260179	170575	9445439	5015561	2553753	1510026	153537	717470	302857	586599	1736304	1939007	853164	5386152	528807	361581	2051385	584905	8165051	1202842	2284498	289325	133196	199724	922909	769948	179488	637207	6914948	237623	1418834	2530993	695210	609938	894441	3029811	431608	603977	110268	639284	658692	1244389	229641	506914	306265	1550953	428735	768118	238628	342395	1278387	433650	581387	849499	404204	64556	917141	701708	635095	518300	268547	439708	348580	1034373	226184	528924	916334	470613	115126	279113	889097	164198	393826		459245	529550	617698	406345	1286801	1381822	256854	1567733	2685999	1888934	194985	796769	231108	343617	1186547	278351	900381	585188	2158158	573644	1991864	445978	1535378	1047162	5757457	409508	510023	774534	1639006		398917	1545741	1361432	1167606
20-hydroxyecdysone		74464							168914			892322							128559										363259		80675																	282262				51361			76097							23919334									248359		2489312																						1335822																													67737							1271295			17851986		133684					111883284		192313661		667051	99647							107941							126441	2765466	209489					108135				543733						
hesperetin						18539282	37085	269795	9159269	73587867	6993092	28880						545147	70841	2282056			39209						1009400	2676296	783003	209392	115419		175747		123627				590046				85674801	337493	8438302	64955	12179107	293906	90014	1213910	5890824	2434190	196491	287182248	95038			311063		422588		353321	4123305	38897		78648	103211	74956	1713664	84869	23049927	3123507	380137	108661723	67918	22189075	34943	12143193	39726507			158564	108025	73697		134223005	871826	549369		157928503	6902654	80321	371328	374343913	14368191	66214220	5177128	34887		566528	65883534	13185279	3100408	2202950	2943501	1228081				58371	20269963		87489482	43604	931344		32960	8647474				927062		60778	3051871	176296	1137674615	245676	11343522	224855512	64683	41078	1271465	1396921	416339087		7743523	723260	63880	304396	947293	287070	1640711	345687457	141691	168969134	837635	80151437	121965839	19595197	94616	1524024		3089370		56243164	125432	48426177	236908215	235188	198053	18470650	8305113		1897617	337548	4990320	34252408	8365680	55207454		4986850	2693331		34080
1-linoleoylglycerol (18:2)	1058687	6323352	2118126	7262647	5972949	4081684	18897694	15340731	4434837	1023521	18176663	9461439	16444332	12877953	9365408	3520748	6898426	8516995	2671961	3408635	4032138	2416115	22569100	7506391	3805773	1404758	10178560	7071926	12055590	7311085	1833628	762464	1047046	4678990	3801951	2880306	10881582	7134732	6864947	6363020	13494805	16569868	2040568	9087346	5796805	5907625	22281300	16918312	10888493	13663743	2806551	89801595	18433544	3270038	5384544	8760089	5657928	17941171	9010928	19626026	10692680	61605088	29034321	21813461	10832874	8955827	59748419	4304607	9824577	6686536	5835437	10720288	10249164	11329153	6024990	9188641	46282442	14025580	11119562	10565810	5532537	28568184	3557202	21296568	39302130	11770579	61780159	5778027	16925772	4538815	5060830	6723496	32544866	20482546	16529313	10286220	8512018	1446207	13111621	12558030	82172318	10030470	27722635	53013919	1965602	24049989	8026343	21454379	5996949	15157276	8204424	2754001	13208024	9682661	95164983	49160596	6348491	7143688	23887672	18089743	67759485	35458119	4033866	16051477	8287061	2647712	4918491	14412645	4635619	5274353	235370607	12486543	10235295	6016600	22091302	4378089	22788764	14728624	10978280	5434859	3977782	50866509	15123483	21231795	29635367	9998779	8927163	202785793	175460276	25188693	17741996	6362895	2913432	21451930	32884788	5709493	14554253	10881168	79377801	36238123	29088755	11423823	5218168	45779039	38387704	37690478	3483851	12429769	9166042	4931792	3777921	9906971	10175920	9827136	2233652	33529174	17443214
3-dehydrocholate							2418193	2703041	5812691	31799582		20936044	220724		383973				2345065		805198			209406			27665407		27054314	815581					1064628		764382			568761	281040	506281	587528		2186471			336880	13130265					1000207					70246	3239698		2437016	1386460							211912	510361	12002992	4279045	1472369	958127	1008392		19650318					712891	320244			595790	7129665	7068443			189830			3076185	1171643	5966924	2885736	2552515	63850591	12944776	12115548	3621202	2552571		107426531		5714444		987584	988581		4102591		15464679	21279717	3995591			3003480		119132			591918	6634996	22571068	149366	6645584	14192958	18672200	26324097	3907554	4263708	4440254	12244188	27119065	21508434	15345677	4951955	6333031		3345477		13689598	339855		9952675	3239195	121213486	6430475		27566917			3736802			183183	2531039	6429194	4887844		1319125	4925025			30928217	305351		5486191	1621330			2351293	300871	7246414
7-ketodeoxycholate			60991	111847	139366		6925435	731396	101625889	114957282	56601	104560883	4663978	308767	659035	154401	110930		50531656	764225	31337517	1906950		11641562	2362144	741604	284682792	1977881	171382974	21173590				751537	39544316	1347406	9891744	90313	1751190	6541080	5892873	2283439	13488751	5584394	48587235	324931	1429061	4638039	31521911	182952	71038	295948	1645823	5516141	393490		64327	585089		2916541		37157193	48504382	871925	1104187	106256	327422	214015	4865471	4893240	2023434	121214028	91519550	38980257	33669873	13740572	4546795	63061661	280088	948468	1169107		4358818	5640221	121275	521780	9315882	152910152	75924586	8362515	2253536	5007785		2538561	19463144	54016337	122756471	90372096	30868924	192882499	240106997	227887104	90591753	49107683	1287148	488594447	929363	30323676	428769	7360055	10976506		109989001	1293626	159954706	63913709	15972455		236743	53241929	1138873	719745	386347	1048912	10244616	25630376	128751180	1269691	199876373	210518627	157327139	29964991	62845731	4983112	44048674	140978629	5463839	90191869	39136404	77953725	120991267	564957	5802592	1682614	49747890	792343		78869361	17651947	286329456	20461047	451410	179217573	2932471	1210298	59184995		1043824	2810525	3830260	37125683	58741261	4866306	5512721	26623592	224543	994368	586363501	11746432	1391707	70629902	13315691	1136878	2317733	83716775	1169859	131030076
taurolithocholate												972871					71027		1813420	408557		617253	1835063	325761				143650											2493712				1488965			412874		2617440										2016603				984061		514386	305064					1054661				1111918	390235	355226		1164031				2613104	2184694	817684						147933					105249				1482089				144965	1218829		1522642				108559	843982		416931				262670		452398	155069							374787	270034															142851	670700	76750			628899	613476		213145								1569810			200835					257068		2542355	1432938	583056						183485
dehydrolithocholate	33219883	39288693	21049318	111528482	196493106	5490758	146757632	13553148			15452123	3021982	47267227	22808498	9372405	24641654	30136880	36959603	55470331	20414306	54855317	90279082	90864355	16502803	29926249	30818317	5212180	19250568	13691500	6721885	119237199	11545384	140969419	42863863	9641672	5479894	141470217	3684592	72955777	31957892	30940170	142507086	43892309	17326447	1547936	43232412	13205864	74620589	1098348	125224526	75989616	13702704	28435831	30953943	90182264	106193152	141256585	151949236	68070525	92275609	7017233	15996046	9255695	48350025	71507834	109276354	43099461	154572818	42313781	180602681	29368982	3486280	22928168	89568938	44874453	26285728	76462132	79699186	53417099	73427114	55724383	109244632	177727671	56917494	14435622	20627597	4481311	2295788	1361742	22990790	116873722	23470341	16157984	67411130	4683127	1903828			36685776	31866173	610600	2240126	7367238	48657339	17422202	63523528	16568310	4762414	17478629	12937540	299541187	54331097	2811476	99631786	4813669	7728437	12628134	189444054	56281233	15913699	39439344	55241722	66999577	65419207	11243354	5473707	16380580	28286830		1122608		2831192	979393				552122	7466896	118742916	1243700		152661245	10122834	117373264	200578563	19597590	29352454	11569869	77586522		30035667	24734377		135831525	101024676	37938289	32861324	48083583	31817664	27624969	7606580	39238794	134119906	79985042	24137201	19491183	12670739		14796358	45636824	14129662	46351624	6107282	44734114	75234599	78077032	53090916
6-oxolithocholate	1411736	13569835	984044	2512596	15170641	387380	2703505	461187			464688	236890	1543266	250952	456636	694859	290702	3621222	8080798	17540576	5353389	5803305	16459905	1410232	796679	1035812		3454371		5053236	3275787	1350976	3135561	402075	507361		10380460		5644897	471753	6066700		1908644	1430908	187973	890208	692427	9822443		2545478	449718	2338073	2404051	787429	819425	3263838	1280119	2898883	2141713	7130267	16946527	1151731	826536	8684329	1478268	1187490	546370	998680		3187508	993668			1280350	1977096	866279	1064123	3381868	756989	1639455	1809842	3853254	1887612	16282788	149426	1694779	5020159	289531	246512	2548207	3216234	707289	223306	1500019		302205			2335227	1068294				7154396	525620	1206499	518353		142195	641480	4212050	867827	336341	3899063				12716470	2072565	234118	7135349	2045661	2367131	126243	514077	1190025	5213503	1764219											848743			3209944	636219	3017574	2579998	162222	4087100		3513665		1078614	673250		6475378	4879701	10632582	1521699	1422750	4169168			2095967	7221729	5853168		5152884	1121005		5077123	8045443	970361	722135	1168970	922473		999150	
7-ketolithocholate		110522		2595377			6839394		10124889	57879691	1455347	40966528	3973650		2342022			4925934	103472806	2815228	23971826		2568041	1911804	3294702		218452655	2309257	54101639	2780805					28540249	1312185	45401900	1070865	4280541	6591536	2909607	1306488	40472051	4924295	38809167	1062925	5088916	1472991	18464540			1024834	1799033	493400				3272525	192136	2687075		41107341	25762594		1554328	403342	1452699		23304704		4959340	137271847	133625934	292046816	137312496	28296374		69531116		1407588	2142156			28246577	1070911	2387479	18093562	52032651	42870308	3529870		5055132	3330258		27870490	16874112	75765520	33298678	28636443	102884672	174415434	103192572	49505183	116609500	1906466	445439651	736496	20562315	1046700	13593495	7769404		153292496		96985776	94396221	25079908	629220		37624152	4513525				11193672	6610991	48767365	762114	101783704	76261346	143331513	34773175	39327412	6063765	86567467	36222479	17641729	50252121	49566554	49716042	28849554		4973612		67759525	1991283		77529956	21823842	253801513	17361036		158905516			18195474		4017430	1909372		30009933	28178354	8624400	10939081	49146022	1355745	1502595	530180862	8657078	1016000	75095363		452255	9369857	66107385		62818761
7,12-diketolithocholate							165187		354956	2460445		1538837							214595		251032			111755	153926		4219965		4353134	149780					211133		144421			94071			259997		77413				624240					163491								406496	691537						124941	92565	34661	920125	5607198	532871	722694	68912		1452023						207335				393629	1203745					110297	112464	133163	1402495	902094		4067735	951079	2038774	312754	258648		12576343		184408	77953	292078	1430869		168452	243507	1905096	1000450	434717			1013153					607025		803485		744853	2254348	2984206	1199886	657124		548630	1087062	106402	662923	1966986	912729	1118176				2005766	127079		7368861	902203	20501073	551761		4348673	114061		755389	65692	97132		70341	339103	703953			929224			4906187			613599	769657			2837538	82967	900739
12-dehydrocholate	392374	668585	288707	386955	245303	83833	1097368	239075	20455344	36372672	374103	64371873	1603735	93560	1192581	220623	241032	296524	5537265	310072	4586185	417387	664018	928857	983199	284041	101518224	580533	47502678	1206766	475843	223673	420219	253093	6379311	415170	705368	153992	529977	1411395	1291437	682968	1451145	1140771	5337183	419205	484864	605502	19536084	327269	305336	172019	423642	1809154	295527	193450	67296	354348	581226	5820038	588662	4798541	8046010	434459	268507	246150	371708	490268	1690885	748903	431737	7593953	10036864	2458789	2928770	1529025	899582	42565635	248823	521313	503676	381767	1232239	1462609	153832	446243	1956729	20890729	19970172	1286247	959289	844510	224925	1007686	8024371	8063861	23875314	10263732	13701709	33692063	36583841	23577364	8650193	6094441	455729	179771616		10054377	461561	1658795	3833632	486594	21143537	629187	34258795	48605415	4381216	760738	71880	5761447	451205	398631	330174	577190	2061663	5900499	17254437	286462	30453518	28823454	51627665	66507102	6688740	13186863	5730960	14881548	78791213	38974452	29604158	16172158	22518354	405746	5463945	454890	11191875	824705	211264	72822033	9072917	367771205	10934576	486475	29905266	1051577	605862	9955115	532260	892645	894388	604070	13057643	11499020	971637	1407911	10921806	359631	355757		1217594	309452	14586360	1726681	302671	913804		126858	11616528
indolepropionate	1472880	1636665	1010254	2158327	1261294	600152	1131119	6533684	2738599	4605910	2868799	3222697	2050113	1846058	6353442	4964191	1696761	3044778	2598070	900780	940530	663325	610875	416495	835925	5443347	7666227	890808	1064628	7752558	1795198	536293	1824718	1131316	8951720	4977235	325784	447513	745096	3053338	6655554	1944427	453959	597375	4689377	6023828	8735787	1869172	9660560	692479	567583	716439	872491	1898734	1124984	1683236	940909	2880720	1740659	3919820	5241391	17843963	6980233	2173943	1381894	139625	1599439	546627	2288982	1363829	979728	1939680	476926	4971111		2191945	1683382	3890953	931704	4983267	5470056	551382	5923156	2653791	3633254	1079585	1770556	7500504	11464339	705567	1154783	1227401	1781304	3112653	4674496	1251767	5681105		2900390	987442	5049887	1518401	1361390	1010542	2530497	322006	3108162	9878856	9941842	832848	3642095	1296486	5516006	495890	5360900	4065496	4575490	912595	961533	5171975	1135730	320157	1384793	3135157	568175	1605155	1378045	727032	905085	990425		3652462	752763	15294057	242573	2487896	13961070	3647902	2195114	5434458	4516890	3881150	1268136	1810090	1922117	19019757	717156	2656184	582127	1313090	8112703	1752070	12461024	1305714	1949452	1604404	445306	1734144	1422311	1688822	11589447	2320158	1035225	16401489	6273775	2105543	3868740		4217426	2768278	975388	2144604	2466532	5825944	5703186	455057	1887384
dodecanedioate (C12-DC)	733739	1105958	1540098	1126357	638507	374516	2243617	2354393		1947434	2453554	408498	1259721	1480138	1708027	3127507	2270502	1154159	903465	683335	861021	1068981	567784	1469544		1602395	2314375	466598	895005	1202840	11356258	873005	2159261	666173	889311	1416442	498389	593772	1562799	1776343	2661701	1069368	1136818	1642590	1040805	2814171	3539526	953120	789917	2707664	2324589	985116	1194541	2182565	1431283	2032960		1338800	1070126	2115247	2109357	1682506	1086273	2003382	2176110	303880	1708681	1668879	2143384	1338526	4586548	1004108	674093	1243894	568501	1103411	2469654	673101	1135334	1955397	1785124	1823046	1394099	1124725	1850398	1304655	917890	733767	1545442	1929796	947399	1560133	3505433	1739912	1808304	648926	1262546	486517	2770792	1386162	970684	1069380	765292	706092	1508782	902357	2088504	1367960	1847516	562814	789580	512498		1816113	735932	1063745	969322	1856291	1757905	1983579	707033	1010799	1983851	2635690	469716	697940	556199	730381	1532744	1337326	951378	1765933	825541	506317	1033692	877097	2390516	2306888	925753	1112994	819167	1072396	574158	5739665	904655	1046975	1743301	2402379	1092834	1989528	1275733	1228841	421120	1045108	2206676	886951	277820	1035322	1363253	1799597	1973896	2012587	1712985	2554562	1155132	2847049	1425958	1532443	3493752	1017836	2025502	1584499	1303170	1547669	919969	1214402	943103
N-acetyltyrosine	131644	422515	553451	1090112	2816812	2387068	602857	780875	677140	1244304	731992	344299	1687824	603565	869076	1244778	852897	981641	1529212	5363964	436587	368949	487802	632972	540982	1098168	368123	205572	125548	593834	5542871	567614	10694943	852134	614888	2172378	214629	387924	504755	502721	2483410	265848	581130	385522	1991751	1011049	1084930	984088	308882	1233614	643867	1038104	833564	754241	242091	1337950	986064	1392224	799595	1326466	493090	518641	543717	341453	628723	520316	726083	1351700	4561565	676052	549490	674850	2585628	1270855	332655	299024	317554	1906704	664980	279701	330447	998495	1896939	3318455	421891	382360	347844	916775	587735	654179	109036	726874	1446957	802804	1055612	159620	941168		618385	2137204	857443	316284	903788	574031	872129	1346010	936187	977016	873646	1872670	788132	679739	838463	486227	1554321	2205157	1292213	525385	946322	713051	3102122	505845	2306842	889902	768042	988166	1602223	466841	1276472	732526	815592	1528679	383322	1256837	335660	1491902	997090	1363563	802520	1577330	832100	2009410	295039	450614	2396274	1355793	771234		1031804	556067	3102763	806898	3494819	413673	517319	584106	472574	764664	294299	1075681	297653	618894	687383	1980496	1261354	1276076	2307425	1293379	3180269	279273	796735	1263957	3842927	1397524	864824	419652	1068668
1,3-dimethylurate							86108			99306		92696			20000		79170							112767	95966																		112350															193920	283192		2067620									23284	47697									79967	66966	175084	70795	298272		99051		81182		250513						130251		37207											198517	71022	769272																			85015				105073																						88584											56948										
3-methylxanthine	401566	359215	1655207	1100940	362360	460783	3787834	936678		729592	870154	1334659	316638	611514	1738118	827807	2750391	609134	550067	71000		262492		3138287	2130419	1380745		212202	213607	539245	118581		150454	254372	1335960	335500		637733	696837	387996				186591	428170		510097	1076947	238403	124344	210364	56966	107114	89483	262421			6383454	2714744		9233972	1360610	695630	2263527	87593	2647249	501581	1819373		306309	1097748			284864	764402		1550394	335495	282966	2190571	2925244	1268915	609363	1925277	297668		934150	119323		1156437		229147	727298	561864	772010	687406	590710	743923	224761		172576	292450		995575		621496		557370	1015113	2280032	8756922	923352	147611	222463	398396	297144	69382				234678					186674	585855			683625		161175	91511	2344445	251463			628407	201733	206858				616631		738162					1867550	965061			636376	1157448					1062837		386634	378243	637451	234965	2673047		410224			113182	222424	915107	811092	472553	197315
3-hydroxylaurate	227126	608081	374839	268158	339854	623851	219732	627192	683230	560523	268705	204585	591020	351454	746415	669414	236109	668496	310549	308513	289872	281364	376292	186991	129607	266781		119354		216637	243700	126545	401873	714388	455437	1379328	699911	926751	249051	395244	522082	263441	570352	368953	509745	209061	208586	376768	555759	360771	207982	1155787	462329	797368	352658	243002	328070	520639	509185	341306	789802	341851	552587	380853	226312	1209980	329678	388754	844227	490361	483597	4098945	250447	1220627	596754	443872	522552	716546	525061	532251	474256	609516	269580	406764	155389	283784	656488		257499	241541	203032	257463	539436	1442827	451518	690523	264903	297706	1217683	655705	344351	644072	2073165	810096	347973	954397	186263	355249	764005	497959	905579	297875		667949	377787	448309	339660	488547	435613	357711	349600	1025869	243212	115789	219733	476664	344586	1623504	711597	412461	1075616	1936615	287126	2848058	1533886	410147	1735113	682129	783171	1219391	320794	600455	341546	289742	226414	397420	303293	473018	317093	812453	377924	203459	1698537	578499	565294	612921	295156	258353	1053702	434424	253588	464570	404882	1220417	440805	610466	332372	2451025	294138	283815	300942	845872	480067	413960	671983	515171	780352
pyridoxate	35801800	17590455	27380126	40544844	21665814	11861632	41757320	58397341	60328439	31575012	59761291	28360759	88811305	64468767	39126069	89440776	85198092	84473079	93138766	47970332	78510010	48529237	77975415	181670172	109912577	46930764	28592505	26807872	55945750	17970159	70286435	8127518	62732981	142704472	40048155	24952205	93555580	44838122	71468918	196527838	57391411	42925328	49596392	78436472	35121442	39891497	29662633	84600157	42580788	69859075	74772987	172254254	88007332	78849412	56534082	140975488	111673463	90319095	45768516	68491363	64410895	68604438	49096924	52748505	72292424	37684641	35645151	64295243	87830408	60108168	69394493	107114365	72314548	166092906	110740666	41493941	69354096	46676299	61087736	103483369	102519148	95654792	80374965	161061408	68952709	71500531	38967672	26257103	57667313	116842985	42064225	52044014	42449706	71125936	22971623	38145010	33711048	39589669	67628081	71286905	293246319	88884759	136289275	88488552	89068152	110451062	73130129	65536361	59769862	69479024	83416456	58163278	47475855	89839351	52549173	35198087	96417376	80836041	98526758	62847142	58182765	49446626	59204476	55232433	27814500	72936115	26713933	54578629	109697099	65708189	151399270	64123549	36610191	62787496	24289564	52889062	56533240	55997464	20571579	48679007	33123680	30514537	24891258	104654666	140287633	59227550	81067024	29523519	61293084	52375670	83090749	31128536	61303986	123070860	53385789	76700817	23979791	68119101	109807219	56434145	95677663	47069307	60010446	55726366	73429686	56940089	51905600	91418494	37001824	59687468	20547091	83663274	71168233	77709695	79098823	73026506	79671533
threonylphenylalanine	127568	171797	599221	405722	638747	186751	2079465	501771	546479	849376	560355	1388173	1197768	610985	293548	2220294	312684	815744	518607	417834	277894	676602	257421	440084	442371	285592	294438	207701	404813	162456	422541	281738	1584432	185618	186490	351488	246426	143265	421697	109414	558785	522619	282392	533082	338648	1150139	926801	1706083	279109	1724101	496439	309693	314437	444912	398606	391581	525211	664630	765020	506130	446369	353148	268873	451200	520005	280299	205661	504135	121005	523198	499590	173957	176645	951357	674590	1031319	2003464	407027	324333	1305750	982393	486109	1002378	1180705	412545	635413	318261	276923	719146	1974277	347994	230069	219034	439912	195989	354056	799398	130136	598916	201953	662629	450711	715183	795311	574428	1204603	377095	736527	998621	1129488	1550897	297667	164227	341046	695071	773932	504593	1557285	1874468	1118817	1193682	278330	1553852	437796	60607	317384	295532	241090	428600	2439267	523693	812585	301720	233886	690113	306932	223608	434515	291228	236766	271156	229317	1635824	1040425	665150	894534	127155	204752	824284	1738386	489473	440055	2018550	3904442	1611338	2336989	622399	410771	644772	1186783	438549	801472	400424	358250	1505466	932279	2266080	931255	481200	457222	549025	871583	425920	3590354	522244	511614	155343
pyroglutamylvaline	281807	443745	1148922	943883	1036475	387223	1467892	1212530	703731	1347610	1308487	456371	1319845	1307980	550221	1881978	813984	1820559	548984	610936	377174	643735	642795	1176670	922164	684222	418186	274237	562754	314776	792148	522796	1147658	391943	684019	462457	408412	178625	376067	259210	732891	772485	269413	372434	367627	1049293	506780	804284	208733	719045	492609	709624	449589	518105	255252	344434	531074	949705	961676	484171	524102	433351	416086	1153970	655600	926656	757208	865783	324203	273538	303000	510572	243147	804109	604221	720747	1005058	534059	655657	1259793	1077891	349684	475468	721219	367863	554439	904304	501968	546352	955761	668275	196920	413539	250775	406813	248301	645591	194459	354613	575242	918683	1347518	1502897	569557	719864	500818	571471	458134	2015114	1082371	1692108	382590	1042316	800160	728583	940547	647244	1365329	1377218	371171	1409962	390146	2200062	544493	248815	433139	593905	480053	387068	1107222	392917	661527	756078	363047	915059	1163682	258083	529289	735826	392696	343451	874041	1064636	324411	718920	625386	183919	622088	1845650	922644	747769	860652	838091	2930375	1343034	822935	545553	1283512	1079777	1118129	511636	1295259	714837	694239	2048054	1456284	1777285	531607	703882	766932	746913	859594	796591	1713140	446943	443742	526051
5-hydroxyhexanoate	749483	689270	702098	5004574	8807298	414671	5491389	11228618		1147503	462522	170301	587340	1361697	149649	2581625	557474	657349	102045		613170	209420			485158	1326128	211753	74754		68300	4810777	3493085	4380749	143110	276179		142187	939325	945018	2192835	1154117		1379975	894690	160936	2244911	241488	1326687	170680	21693523	17719850	97909	742391	2030588		2221807	2129846	833201	2775181	4167543	637153	1205057	225367	1079762	8202048	304910	10934832	1176307	1851732	100673	133766		136127			735516	1297320	745904	1167594	1001690	649012	1861049	1623742	1273517	1052932	2056753	62153	138556	160979	2527880	248978	1195784	1351988	1169255	61293		47022		604193					561822	841172	218769	1296121	487205	1872058	300981	1260878	1990559		1572349	737189	435640	1145000	2420503	1175217	186807	618881	446398	1629343	1275122		452839	128801	150306	133533	1736686		702082		632768		98103	590884	421793	635080	638793		290492	189826	576257			1329490				444052	1161086	259074	2165732	1325903	1220284	1085177	1526681	367324	753420	375938	932041	18457548	11347282	1027533	2594762	2307871	189249		245298	119033	191242	2142055	2092692	200072	863464	
butyrylglycine	46341		139607	60079	230513				1415158		169092	1312477	151324	96257	146088		312709										112050				1474112		3313564	105864	234367	262619								83399	1704472		219147						75510			151237				89816					93110		179764		1192373												194971					68590	130601		259334	178522		113702			1434184	267032	627826		165793				206032			928092	806980	150607	84709				508331			414549										150497	327748		601601					143350											204599	299427					113480		126910					59379			214769					101806	445260						373110				
2-hydroxymyristate	6767870	977571	7089495	10442192	5029395	6876353	3975538	6058833	295418	262928	2992133	209084	384366	2325722	497405	3228212	21578540	502304	1207395	330938		22693599	391717	294814	5171638	5131872	636390	3038002		302897	5620518	5498594	2086793	4198672	2739303	3283746	3166420	5876498	678160	2213398	5996675	2221580		8797297	271470		1000484	1414871	1180038	6174990	17537785		2254172	3897673	6694375	11725123	10457621	1387676	20958557	11645371	8138653			9890259	3685737	9671994	4506416	21275472	5141367	5980223	6576711				3282623		1628631		7561375	5008568	5186510	4048085	5734935	5512343	6303405	8125444		823250	292078	2437731	488303	8967093	6560582	8620537			335186		2617526					3215173	6502799	387334	8993502	2356518	7124695	474938	772096	11442457	1053226	17324714	1537258	2170285	3404595	5960178	5684455	1438436		3664830	11013415	4798079				6390668		1011052		7415840				351258		1117416	5999077			3977966	2883635	551551		4072807	6686216	659569				4459321	642520		3543133	4595493	9445268	8000828		8776526	5504384	12307808	8658186	1644794	2710208		286975			302701	286305	2978293	448586	3402915	3539166	18787693	8570934
docosapentaenoate (n3 DPA; 22:5n3)	492445	22369066	3883655	2705959	7289295	22844693	19582749	7716841	736867	3464407	3605959	1781811	10594423	2751587	2202548	1468597	342056	6894821	9064117	11737714	19623693	8803748	124158098	8633693	11915743		2715245	5135187	5417447	12887444	923128	955605	343495	3946425	10174874	7135831	29285183	61168676	32101506	16644034	21465374	10073600	23901811	44445973	8447630	7333926	5456301	8933117	6139554	14346192	3558401	108084529	20488938	8354246	1278428	1625085	5013233	18071993	69347734	1082599	6885349	24714611	11470486	46234587	2724698	73994438	3006272	39274212	37127203	3472115	23212963	125286005	1162320	79760985	4770512	6111531	7214203	40008968	17639211	11095089	8559701	22794800	1905630	42502545	3880949	6531684	39296677	23899186	4764064	7069375	15758358	11454407	32979245	37689575	8209923	12691478	5394267	1819428	13720856	215928092	23894455	44316021	115903882	162927377	528933	8613377	1272639	28113621	26849867	4212776	6698612	5122305	8006585	29531736	31389994	35593328	2456085	14668221	3086698	10119556	83392677	212606821	3281492	1074141	5344426	7882084	36003408	321309180	13172871	15487150	20414078	4019922	29087748	371219	639843641	12694626	235854	5030521	24046334	9764569	2428730		2987711	41568277	16453120	1764305	523930	15359053	107701171	21776684	19463735	23760631	6075761	36117568	22739638	3335282	5458188	21145153	44141377	25389330	8263480	16142440	7089404	4879380	6282200	127262700	31347971	35199777	4223768	25565153	80904975	9627785	22072157	6662292	7411790	77287295	26246354
docosadienoate (22:2n6)	247948	3823789	743441	9964445	3116519	3862978	2747139	3765148	210236	184624	48411808	1003088	1688118	335807	2591557	618621	4953186	1475309	949612	2172975	3328207	1069520	3360518	407529	5405817	4935593	304090	748808	617971	849266	18068115	8276049	7737616	654740	1343263	1132378	861232	17564285	4440091	2478147	3924841	4629967	2749933	6840294	4283153	3320828	4295456	532338	1951883	1860043	62705335	22264443	2181855	2921345	7281607	24924399	55162706	1829569	7667176	25212007	761833	21167917	1248726	3311498	28476040	38385183	71932377	7803065	5351602	1947893	1826338	3074022		1438554	736461	435271	567959	3730367	4260886	1046406	2063709	2577824	762049	5032978	58630511	50561958	15668538	2410869	544013	2363686	2066378	10467404	22862544	4668342	2095855	1076515	642876	419807	9246412	13806996	2025077	2309639	4284981	12595186	10336465	774009	30084802	8589051	4791116	629435	4063331	1296548	2515420	9087102	4686750	1805442	891860	3912764	18733425	752435	4656707	13014251	25020528	18232678	1136634	374357	3112111	5116167	1090689	1861318	1496445	1208794	3448753	131445	10298569	895576		8796930	4186825	217957	2152698	151014526	41289577	1552648	4485678	5483418	8824898	1692553	8108972	1895730	2993093	3765941	419946	3301081	2060954	2808617	7314763	16342525	5304666	2246026	732102	1330426	20972401	1418589	951282	7768544	4451573	408650	1217066	1536266	788279	678328	3866077	1696039	387996	17995773	2500670
adrenate (22:4n6)	5039737	36856485	6569558	18997418	21788156	18326761	5840794	14776092	7804237	5365282	14142244	6271176	21069751	6962601	27539940	9098953	3985052	16443622	12201529	22587488	27601589	8881218	24860870	39357178	28790344		11943992	6845533	14246160	28394375	9130083	4186026	8346259	8796932	13512274	9572954	23378373	91510251	45568478	51347302	15276093	12311005	26860507	39529100	39844568	7391316	10704286	10285077	19795911	12648962	8555162	29202670	39707691	20906322	12590632	17841198	25695509	29582307	56897981		12908657	15279538	8936324	30459963	27248461	43094872		23373394	22324667	16667263	17632853	33306250	9480517	126996122	12882288	11840051	12928310	39507299	19744976	42160158	44828526	28354564	7865344	33380819	10519899	17163689	76644692	25763985	9166990	16791733	25958423	56185779	45937280	49357441	5431559	16930332	3924429	3094896	12323508	153365988	18654224	29726306	67793238	231081251	10180222	19688031	9485720	16548810	74590151	12454800	18630286	13058237	14767040	58673654	72944482	11159802	8953171	33189777	22417737	16135642	74555370	76931538	15720947	6544858	31656821	11312268	49439678	101459373	12971860	25813126	24768804	10929133	41132187	6717528	119687671	28331627	1878935	24799693	61075519	10101422	10434365		12638456	20540820	25858082	8997591		14891033	59728968	25716973	31960611	43127802	14273346	42571252	27449944	18776274	14459252	38307528	25037915	31912176	38134963	14613169	42013128	7690485	17755912	78664899	57513916	36946652	6095318	11059775	40147154	12561628	22016781	17701682	7621411	78868963	29859273
myristoleate (14:1n5)	7820542	55360573	23050058	5384120	5009233	14982928	9815567	8345654	5446450	56743726			41655276	19324884	80190525	16797760	2327948	47629258	9062972	15758707	39111570	12915200	7710230	3035402		724894		950257		4872900	2852260	697693	2740831	43594166	6890903	93414845	29761607	67778467		1090323		2668510	37682443	13888844	15359144	8362702		5057388	3072028	15176456	1825160	65680459	16217932	30737578	9553445	10243143	13422599	35676850	39630895	3807729	48739225	9429083	6174294	19466329	3793065	40068113	4003510	19365115	59881439	26722634	32408857	137005326	3581616	25901612	40614675	18276507	19506948	18347548	35424243	23962381	32610369	17369541	6341836	15522315	2758849	7836697	1372716	5817669	11746339	9651850	2710003	10119219	27407247	3643322	6057638	16659290			31400044	37720241	9984120	39786269	73569038	72888798	4428863	22727445	3351305	13548452	27057759	30150930	41523517	10369306	4735934	21139747	22855937	31775351	20854635	24248920	21430658	18282573	20074953	50007073	2207204	3785277	7205012	4790459	16828231	27940682	78197086	25794391	16495497	39828716	3951634	11558796	40716890	20918351	11951045	21326543	20607175	19280962		1939088	935011			5198876	1275459	18190278	18602150	32963395	9617338	6318855	21119321	64903009	16698435	39042135	4909046	8454314	49748647	10953828	10305082	12503934	5539030	16806890	23119343	13257938	25589934	217359529	7242691	15280223		23711207	17147982	11444049	27488636	15128947	42783517
sebacate (C10-DC)	1668730	2330119	2245769	1917983	1649239	832694	3218550	3666633	828391	771789	2385117	362154	1272531	1755757	2422323	4804546	3816771	1166161	1080494	803938	1078437	3120790	517808	1153230	1075984	2982190	3246431	1977679	1808682	1030708	15344658	822601	3491753	1343504	662490	1398689	1327962	1232189	1658291	4015787	3221399	2017959	1418523	3082103	2086176	4652257	1660667	925817	883378	2758716	7633349	1452321	2821859	5420741	1543679	2487579	2699428	2313316	2610458	5478941	2120247	965117	1011989	4296274	3587138	1027169	5267710	2387563	1672144	1445705	2158013	776959	711479	12413004	905084	938452	3302204	1314911	2762360	2775475	2788874	6090645	7539961	2604980	6621557	4812396	1225572	1452821	1445098	2485176	761405	3112931	5410924	4493221	865517	470048	762950	593330	1643711	1088685	849272	1936685	1094377	830701	1875606	722347	3286142	1356405	1683871	787119	1081958	879677	642348	6113985	1622541	1503045	1408343	2463560	5246762	1794066	746365	5405855	4960436	3076500	694091	1165595	1170161	1306321	1994756	1669605	976760	1697091	2739099	478832	1306076	686622	765405	1188010	682195	1241972	2097783	1172311	917282	7079917	1240162	2143713	7246705	704917	1687508	628682	1223994	1778870	553134	1541395	4817808	1066393	434770	6321779	1162544	4187187	2007364	3940424	6456852	1958365	1110634	4709038	1747277	917688	3615332	2728646	6897576	2120370	2691609	1094555	911869	1977151	1348200
daidzein	597689	351805	1758201	403807	98018	24602	458426	892269	156707	3968404	137615	12245011	2783235	959623	5444211	332215	41673961	2690414	23960411	5230585	4577553	838079	503683	1455727	1346436	534049	233916794	6489104	142261277	99481023	57822	152256	157557	317057	488662	1161856	495395	63121	208007	196301	514970	2272312	1488523	494428	73754571	6790984	120277	642181	112183	181009	1360617	252690	2210479	227188	3061699	181766	359434	17208676	3534921	149863	790271	140654	40867398	358283	1822571	1190381	3576387	89119	3001764	1855277	18286254	318336	64834	1310538	582011	15816699	447372	1251006	1137911	13729350	24175263	865522	2979376	11190966	7861549	5871192	15007806	20028077	174260	10444386	2159276	698224	2466981	10694850	66783875	1081199	406646	1122959	143767	31589	4637102	32881869	653077	385423	83114	1093161	243272	344173	557797	30732597	21372071	2573959	5586135	412157	8323286	2392495	872243	222319	744442	4018185	272941	575501	1356332	16105841	2943651	8902436	16468428	15803676	3096769	7391624	71174539	28877462	44645532	353142	493949	1543258	63910	90368417	1629651	5276477	56820	831273		4928391	6148786	2383735	4820365	105184	136073	1166040	626667	133631	1101495	118729	1729484	204132	39343	391636	106730	656738	165811621	9456833	1297998	477212	229497	88490	339509	1387632	1643820	1031043	2747393	7717365	272609	623248	2266346	352178	350626
genistein	45719		148718	240932		77254	65332	121653	844607	131071	179399	17681321	83997	131819	204648	80619	496766	10272304	3377842	15013587	794681	2265934		5734563	120642	808945	291310545	13376082	230590805	267638582			47425	134682	115989	120019	257688				55825	104480	315005	146688	158087385	3241114	1393936	1315743	377617	96807	70744		131403	97732	916574			1062354	175764		411808	204323	4205096	45018	44162	168902	128812		104015	332633	4510723	4362536	306878	16693587	1090558	818389	273207	841705		1139979	2024039	28321	36918	259808	298484	176700	38559423	39560131	343781	2639144	284718	156025	2563583	2631363	185277950	1109322	960474	2038174	120494		478889	31491065	10673957	1802529		2750546		318810	171676	84732241	1695567	40232	12262836	85121	2346808	1819590	401513		780700	920800	97370	489857	1308299	8230358	31068432	6981448	14594814	106228569	227405	1077749	110001596	74464435	83080126	3552600	3186515	7983782	1687015	89814000	207609	12819095	286796	127625		310946	23493953	2543030		1013871	693275	3646959	2698879	886339	9557740	721128	2523391	677849	19626	37024	535887	2970767	279711547	20211078	315945		155205	97677	532029	5809325	248298	230387	9039973	599583	673129	29664	3979740	953841	1900536
I-urobilinogen	51483768	87066571	74424859	12872410	118281	21142342	38215175	6018406		53391112	683313	203588	56393371	2851047	133870	4050728	310527	17629448	181227593	76659866	24815078	25057989	10584522	69906306	3617490	427202	8632762	6122775	5358855	21926042	1039987	495493	123691660	2301874	6641486	11312941	24764694	24166143	275226117	21009879	71919579	174755	117970155	164818666	127193993	5068115	1451473	16383255	6268670	79289036	335259	45401992	12532568	29615220	13832102	611448	829233	40887890	81678631	642900	136298382	2719449	10256169	83791996	53059	1210284		28792598	2580067	97128569	46034816	49035807	28191984	347982824	66779756	5981476	10224276	62216996	44252960	51748218	53423116	54902037	117683370	326176141	8150785	330005	13624779	116679913	52871919	69869027	15097053	1977804	566727	38516668	4219495	61999844	182210	535406	11453322	46885282	15442748	152924248	101776168	44366479	10748613	12774398	1533108	1827888	33039572	13855424	11555477	97042913	35481287	31457451	4144094	165438	7490271	61049336	9026235	12123346	20040212	15968289	332935	731010	5112851	288001299	20222126	83013443	100768577	69886118	95999008	605363	9527168	96711	25557727	1007173	635447	4585250	1558265	16154166	5308952	169755	733648	48021224	8801219	960024	522404	268898	47164923	2287190	8486258	110133123	13105063	81409793	100226551	89700681	468936	5056241	81500290	1853995	7517739	10362387	461812	545690	10955800	35795469	75324983	228450	2069422	89115755	13396011	5314453	33113335	984375	133577659	20068102	36326736
5-dodecenoate (12:1n7)	700093	2422076	1811096	595438	493781	437747	506235	686257	375083	5044014	422299	250582	3568532	1569600	6903658	1173183		3620730	490556	1079108	484212	526017	438888	446672	333147	183066				213207		186238		3410926	545634	2371133	2986426	2503744	290392		336001	330931	2981975	748042	1099318	490635	202199	625301	182358	959154	632967	5317973	1366416	2063444	1115938	829831	1138820	3210476	2756442		4993198	810966	245677	1041115		1094809	345937	1150600	4327171	1729562	2437042	12197053	735170	2147756	2699778	2027775	1831362	1084121	2976641	1315835	1788193	1072871	442147	1091115		220981	728664	490770	1729282	495826	196543	1005505	1925767	1281675	700616	1408097	810561		3001969	2839425	610581	2857257	6701351	4485612	570467	3095495	344510	725336	2503923	3059919	3646557	257116	499033	1405101	1936738	2734207	2215403	2075329	2446145	2402585	798348	4214022	401902		362417	285006	904607	1491650	8936929	2236535	2636915	4526902	246745	1243784	3715931	2006585	1388244	2280148	1489797	1934640	278884	167278		232676		456882		1097543	1261146	2877556	722589	299479	1946905	3742916	973029	4379055	412553	408272	4610064	462815	674971	682756	798623	168162	2499422	949382	2273518	20672969	466833	1212088	564092	2656394	1518666	1023873	1369977	811319	3466693
skatol					228015																			57247							285026	36193	125691																	57298	87592				63874																								153112	157358	134172					42715								68955											50488		25735							162507																																											129347	99237					118221			40063	85964										27863
N-acetyltryptophan		404493	232271	1199767	995700	636196			1982749	541267	667272	291319			428958		186501	284143	742887	1476263	236804	180134		134347		433995	554732			784452	910261		1426571		532552	598986					543506		157356		568756							1067958				846879	624472	493368	264148	823939		129725	651830						1056166	395928	230689	1163847	940798	776556		261853	117227	640265	251514				497919	884479			683394	5260804	832350						599754	524438	994667	2826939	291415	4858367	2072994	2992474	1306398	609918		948131	486351	335218	631845	802705	597339		548005		1186153	1414250	1432699	578179	395140	500762	414216	134225				945559	692530		1254351		525565	205265	2917476	528850	3017028	3377763	225303	1300928	319598	634926	901742	226756			869641	940820		453407	219641	363621	1422490	403740	1613483	351254	481822	204372					549042	355567		400583	431464	392609	558786	3842333	2025165	140679	275061	445816	728988	679292	631825	200321	789609
N-acetylphenylalanine	147767	442834	971539	4439999	7763393	6342529	743315	2196562	1195183	1422635	3457682	1389705	5519514	1572015	2734418	1919746	1379761	4125880	2169785	2724049	1889855	1081885	573362	736558	1322015	2555714	571253	843330	345566	1697698	18966495	825989	31171802	1809550	1685384	6950973	387542	932988	1306630	629076	977206	1171472	1083865	2199134	4937844	786829	1523676	761894	596692	1746293	1307188	3940150	2142115	2190455	710258	3547746	1447553	3269620	1194067	2826201	990649	2284570	2535303	822539	1749710	1382804	2566990	2534436	12821506	1282992	975758	2043407	2675890	1262300	484796	1575385	255816	3138772	505461	702413	840022	3302745	1956471	6332279	549649	1307429	699260	1146095	1260027	885340	723528	1634969	1418582	827300	2292835	904523	1552818	1339151	3268829	4246457	1923264	1673686	4218452	1752752	919307	2168058	1812185	2197389	740342	1464421	2805541	1164847	1774291	719407	2072553	4265398	2796180	1711938	1456174	602588	7282924	769253	4719975	755492	432926	1685573	3846066	1117721	3057643	2865585	1037740	1240826	783508	1363289	2067939	2189825	893603	4941739	754932	3208139	964685	4092785	1346335	834264	4786788	2507041	1112936	796924	2260905	1153469	9780011	1927702	21750228	493226	671185	646408	863545	1001480	1574037	1046487	858556	544335	2030124	3658763	1907252	1344489	3792709	1168253	2563086	372230	547809	3113463	10478713	2989269	2224181	1001068	1394387
phenylacetylglycine					102279				1266393																						529306		1121115		534547	210673					167766		28528		333980					172232											137309								282919				96295		239587														159917						100369				2774317				1179471	171804		1136719	415347						910144			219692						260919		246824			396925		4948737		122085																	976392															202875				306631										
N-acetylisoleucine	63184	228611	332512	1411901	2315743	2248220	208694	939075	1259107	648942	916551	288402	1891811	322527	620849	497945	250203	1565411	967218	1180494	509768	312259	124916	238903	309418	579059	325755	200178	120703	372348	11554486	157765	29632842	928394	456286	3607936	164146	350890	693442	474426	191982	346479	412948	917051	2253247	453525	442008	493758	248282	2188849	303321	635959	1778367	1153363	201575	1661458	610132	750854	469531	579463	380533	659249	545380		1040076	630594	1291917	483316	8898213	434720	338521	594855	473950	625229	169429	125664	108940	1447260	143951	301560	426097	1020062	813863	2255177	241653	711591	219012	292692	473124	504397	89042	1035597	708084	478027	881793	332328	720712	113002	1434519	1524016	666995	156269	1997234	929168	204438	1036376	375561	513787	238717	645829	784845	444885	840002	265904	596764	1552959	683771	233102	453207	182556	1399951	597841	1719012	440803	159801	648597	1895481	979702	1663037	503899	435806	627224	314427	965597	597463	617958	558239	978885	201287	784989	649133	1060720	225210	528003	3033034	774850	224283	185517	946810	481640	3698834	126202	10300655	707652	121573	673708	116678	263164	116301	426311	191087	178638	975326	1664709	751291	408176	3385804	412364	452651	152637	215807	1539004	3380211	418645	579486	293651	501586
10-nonadecenoate (19:1n9)	604442	12786716	3204054	2715644	3510583	7452228	6458854	7066356	2265307	1874722	2428999	3866298	8238282	1762178	5660369	2283630	1892421	4736643	1746385	3101347	14371389	1172176	3477329	1114510	4746198	621097	1886834	4252979	7102556	2230229	1637681	3102491	844403	1786149	4239931	3190317	6608254	46043890	5949066	3138073	5110045	8989712	6254953	7475535	7781230	9129219	8148818	2425168	7053903	7724253		48690483	18946144	4507102	5375418	8140198	7756075	14454611	19378302	6941984	2916402	19092488	8268525	14347263	7388441	99710019	24844856	15426297	10616724	5207962	11444940	42882834	1061434	9774386	4777386	6419397	6494152	11835051	10142496	3522724	3605142	11894638	826466	8395226	11849987	10549816	135491658	6252296	4848830	3348162	2791730	9229342	42698022	8225211	8422949	9477690	256341	771682	14428053	35302814	12572705	18090661	39030390	74932176	1602190	25972241	4826433	16340709	9602073	4943619	9678278	1763373	3635903	15650528	34432379	12549244	3146087	4546999	6487944	2375219	10952475	58062990	5650972	655612	2589052	1341641	6550834	24637185	7156679	5953490	39138842	6853814	3005086	702464	25287334	3978546	347297	4108690	6499172	2111686	1109051	13352659	6490279	3420987	6723286	1627080	2026122	36405594	61819745	15893174	7791784	4730527	3018980	14242553	12268402	3875040	1753845	6883106	28109474	9423765	5485439	6641840	3132968	5038698	8389339	13801493	6586095	5676357	1453413	3058853	1979542	4798545	3712503	1995914	4160007	23669517	6256011
hyocholate	839746	8417288	543516	3227330	964583	563781	8227715	724145	13831515	5129884	238253	8005368	9852911	1779109	1831777	939683	200032	7970518	12211647	6108149	10560200	1034131	4181404	3009642	1526913	748362	10356770	2644305	4906905	11349182	553932	644792	451677	563784	7098473	230963	13966760	149417	7456610	6832461	5760774	4138216	18018526	1822680	8760007	263343	1029236	7363391	3470102	1777534	80174	949574	7121821	7519088	246974	251697	124834	6174642	4392665	1576964	7297868	23040243	10321960	11484670	791556	619328	448316	838575	16210467	5940877	4227980	13015200	1262853	12661170	10742340	8771913	6029306	12301157	358615	4004105	6440181	6564359	21856521	24085856		2440430	21739043	39910353	12778170	7396126	5127249	3648209	2780201	2085032	4281521	14816932	28896085	8197144	35273835	15165852	33315351	17493171	26928636	15314860	314872	23171190		15127741	696445	21678587	7050924	3167101	23881107	13041174	15768444	12415110	14908148	2938437	508671	19229114	1625051	573487	240282	256628	3686782	9687473	25700584	2053881	21664889	23250749	25671631	8193940	20339326	7312521	11054461	10814746	10658172	22625857	13463867	20853914	8366728	274641	3995767	477978	14040649	370631	853435	1777364	5209560	20256231	12865005	5461809	10277134	4757318	3972212	6429346	473415	1074160	5033676	5356428	7026900	9418342	2492650	1746455	8555970	7114467	2434382	17496353	1998226	3010783	10040539	5493379	2155388	2275020	14128630	1567568	6272450
epiandrosterone sulfate	117795		74061	136565	155175	65562	46133			165686	74864	66318	202990	113959	45542	216018	104771	65308				119365	452215	44540		47547			128957	63594				131106	137992	77406	43631						94893	83246			60788											63646			36625	128261	116582			59732	34713	85196		77084	46386		53421	164105	136009	127213	382097	203201	84884	417267	452698	153795	236229	92682	48940			76053					88830				71177	28058			136406	291168		171416		316755	43524		76887		85796	130059	265996						33757	96309	33908	32654	97712	72096	37835				172897	158680		88694		106907			66821		363639			40679				156478		579188	364432	470360		100438	93511	121806	104583	70422		215901		53017			250691	220138	122536	70521	105199		369257	217303			79904	58802	235604	92768	116541
p-cresol sulfate	383157	1090341	1755845	19841092	4132478	1465069	21057518	17030635	1144504	25118704	1892949	78685	30932000	20099560	1248908	34404678	15402538	6303964	27014063	5799178	8148230	3975516	4995701	53229265	86949277	64357734	12106464	7476863	50557432	20971253	8515300	5137935	10453026	1148139	86623079	4672580	1571776	2859439	16878601	3258340	1353642	11168441	2263547	2649997	4976485	3568786	2008789	21422879	426691	5620340	987825	1486630	19939033	23722762	2120780	14926202	9579713	21242376	21085532	9591665	17983512	14540263	14349770	22425603	4342117	3457751	155389	7003341	12708929	3708733	1586990	1674050	19605977	65391273	17251427	12344962	25725727	60466479	8797057	21976252	23702664	50658862	72133484	75108132	2875919	8615790	3708081	2874506	491294	44771909	15346145	1689915	1416695	18001483	6173413	1617299	5917934	1564764	8091935	154698	1120965	91553041	15283655	43673734	10517009	21980614	28602134	1717154	14534406	14869908	26857180	1793856	380023	8426462	24500158	5288024	35639378	3363973	1866611	4311000	12438588	34364399	33994815	25922303	13342553	3128613	32218603	10067914	6392164	18707347	48054095	932402	13982725	612014	14513636	4001554	2221078	10296816	8984556	30943343	482836	2537319	171041	10856160	26629326	4898221	4000498	378330	5916819	1455945	10538080	55777323	4277187	39987005	31925614	26240573	1343682	8812420	28325400	9598378	3714091	21696198	9836027	8706089	68944766	21029037	74442172	1096747	815154	19366005	70050164	12560339	11060045	14711599	34749076	5179664	72808872
eicosenoate (20:1)	12623717	155666360	42724853	134664120	76373360	243310476	106325807	155709233	25949659	8459744	384718937	88259319	87866821	25413404	52385489	32423737	46748917	68835112	34856377	62342294	156259179	32937090	120778770	64308169	214718665	34786668	27967828	108642775	102198321	38669810	118907546	77755692	41166645	47180758	54012255	32669940	67500161	827935052	250960433	104730490	174205866	148735127	141089595	178628677	160170835	140398372	221925968	65316056	94148117	152385023	185810918	786198044	236527991	100729946	156122307	237821896	378739011	129077120	200631706	217869906	25568034	602549414	165176673	186210508	423074926	1040537601	1050110090	366930850	108133071	97115392	152478543	188570962	32441295	132704242	46582232	69731193	72354264	174057190	158022532	43806456	66572316	159264552	11474983	348683752	468515779	330242767	4036098262	110013303	48961004	116763520	48632477	249383379	670389425	211766476	131793416	85364980	104333590	13244121	98261805	273540587	490316317	136241971	387837571	711450329	74635901	257772614	210290061	662804524	141481974	101989352	154424002	29371362	83229475	236905465	284033618	192085923	36310800	131529828	285309813	45834160	166906367	660692838	188706234	110828398	52994584	33009913	68277644	554702961	34229374	94997287	270376766	45738596	81249917	7809823	459822855	39192895	2977898	331657897	141611232	18857171	92573590	1028841745	448589557	138915521	403388437	66119224	58883543	419784206	1249729803	112283635	111098550	121174145	21890625	147785517	164804088	71685499	94516736	420443624	245997218	167534279	92712506	69440461	225389292	173210242	66259037	554520529	137780256	22875315	71665511	78043203	41213837	56615072	195223286	57449296	23956640	641271216	108272595
linolenate [alpha or gamma; (18:3n3 or 6)]	16395373	186078922	66988437	63728557	187869631	59517934	531005553	2002686400	566590708	37462486	326638181	284660545	868998783	245914487	318218849	129872178	300466170	370503233	76855552	731696242	990223903	57167729	91931537	602706016	70281892	94004773	1684194914	322206778	620255122	1650281394	39247719	18057204	37792177	81608581	60211982	392511167	1482457126	194113668	367511474	96027183	383688403	539284636	58634007	173409840	64583368	305840248	2276650236	249009175	1577668578	253651060	21490584	8934422595	13219508695	77890025	174130103	178384714	90602652	1459302075	224270424	348406870	56980413	2934546951	2256571776	173794903	237704976	902453076	4186910704	146731493	137000390	172927142	96992746	2041309486	191420288	610971506	77802769	1048055381	2035315305	344828552	137040237	598678541	110523287	268988180	227469996	416677157	418612339	135562170	1262592028	168157454	160345067	63961394	215053431	94055921	453179098	2321963632	4558125267	159438312	171630692	25020348	364268030	551038038	701105370	119289938	411549974	1667780465	19415032	1435584886	1125899540	313805907	60837297	1856701532	656927544	34480878	119979234	93198005	389488705	1370827943	90325355	183634550	4780292812	142104863	3764827517	2996098894	110301110	259905234	336147192	31563076	70650361	193991945	690363925	140273447	6905032151	199631326	88190784	688136486	485565594	569642260	83856926	2110413568	83499839	56257423	83740885	2609746299	1806286365	84071834	411478936	204461379	67695341	820709860	1397216099	565385558	177353835	36913335	39872469	278130700	838964568	29461011	19449474	128033393	852522912	1429150447	3005342045	6099488404	64239624	1507091843	12155435948	3145745322	275863214	2111152204	100729622	365491429	50192620	1855333875	107170019	791210665	36494194	2742946292	301600883
chlorogenate						82746		32262	783389						148658		580626			231440				51583											616786											210407	2410528	63036	488835														1269107						625032			95119	118798			151029		927219											377086		121420							87699864	73055		417618		267120			518149							551346		276641	8496169													37872		2810816			456128			314820	112724					642531	1209864				561847	51173		97123		82045					57051				316292						991024		282917							
aconitate [cis or trans]	155452	119229	114892	600895		437474	445843	1197014	3146649			2613439	101356		476425		321937			10122943	327764	252557		2589769		388586		178494	161095	1524346		195526		127515	836111	135676	61890		129016			1387500			1186754	184956	1282076	459793	3394812	109187	173120	218344		182976	133757	291636	239243	135147	114403	1636846	160553	867707		137277	422355	95330	203802			1338641	339138	400249	753960	192060	1191590	572894	86698	452433		124970	127151		138329	323942		424075	2770879	4008263	1807335				284945		1516763	239868		59106689	456109	2141732	1908785	215205		459755		1486080	188804			1327077	230083	268882	2773629	130893	1374582	673825	2549045		122332	916514		146533		1027814	5265771	1171545	3921101	368395	1300623	343470	657349	935790	3218869	3824942	3241744	1981083	687373			252703	584693			187120	773053	1146229	247554	5117099	130547		2399623		8519670	109822	681115	169532		1741239	225617	473553	2875626	114675	120033	664259	159489		125174	1918480	1244113	379242	455001	585849	169146		1054537	390303	207752
1-linoleoyl-GPC (18:2)		68928		347214			209012	492040	257195		239069	2217713	156491	41291	1303224		460725	236431		192569		561597	1189440	52934	80126		245894		973517	57423					54141		257470		46007	194258	266083	704650	112331		166247	451178	324062	143205	939409		112276	851846	287083		137850	493485		246228	260256	10460454	73874	12143113	4497593		2762132			653578			156111		1477400		341407	130258	590125	799658	162326	211359	82338	114116		96345					509080	70062	103045	577937	925250	205804	1156146	312626		274130	98230		22168606	178643	787514	537410				437389	185417	514563	121506		3012163		672797	3859466	1246908	138543	402480	205551	1179091			672785		174557			158469	931081	25514452	136600	157735	241307	70741	134381	96852	176704	234212	481404	138517	753272	555702	41599	129170	1435069	193312	42449537	607800	2521804	2272662		90948	93292			154287	244115	40133336	916683	126332	166683	86708	184641	126696	139294	163566	212809	263882	64339	80595			38331	71419	256793	47931
1,3,7-trimethylurate	1373411	144799	1202560	2016175	1311950	3777700	396131	510625		391209	868432	391471	157690	617729	1247086	417963	2652395	1274955	340479			745597		2414883	2947974	1225041		128044	261530	493165	2026307			204875	342650	705401		645309	652075	500918			1929816	669742	627756		143640	339955			493397		402604	81232	426632			6567683	5682217		25423338	891118	135482	3063313	98455	1583463	293453	949383	62993	248502	870962			314658	1648991		2019169	494357	147982	1130217	1120312	3421402	3113826	8122547	1711344	1603766	2007254	1373128	209401	2770475	279553	1707850	1337962	1239085	142268	1374314		892384	426863			1963282			307460	919280	1108318	577647	2061408	2336541	7284340	2483669		1175089	802129		137161	497153	50743		354473					423473	467528			1044183		259807	235184	999917	348511			182979	435446	86838		77152		1410950		303037	3354354				1653204	1317180			869934	2963859	6997458	1404552			434167		995546	170699	509737	516413	313689		287664	379693		309399	472503	1409422	1089114	881276	
3,7-dimethylurate	3238674	1137285	8249852	20342186	13086015	4223215	4169749	5141900		18016755	8618735	1566096	1323733	6881670	4069417	3881874	12799840	7596166	2004552	391994		8409608		18963436	17757717	10128465	54227	1378001	1109190	3576433	4795154	147878	67806	4453637	2872236	1091843		3855161	6881184	3592626			2510134	2609025	4292923	123393	3099843	2479931	1935756	144966	5270314	38447	1912126	1124505	2899155	43303		30141881	23887621		29834470	4097333	3039956	22243288	996270	8959113	2726504	4334402	1810255	14393564	13539597	46201	35432	10162555	8271902	999754	20728459	2685618	2121872	3286867	3623244	12113589	18319815	22687137	2527890	652806	21763298	1536284	1324025	3438792	1377572	8387449	6886571	7137608	1651522	10573017	339277	1944257	2796482	21218	279514	6316977	1246486	198361	2821701	5603621	1740115	4136463	9735732	4647746	24955093	25610654	557029	7423347	4757745	2616110	972576	2705182	210858		5340439	508911				2593949	4596767	53185	78124	6722052		845799	2426832	5741415	5535950			923769	1630287	797843		95299		6489751	65367	2972702		63035			13334536	5537847			12782627	20076920				1623664	2814697	1226638	7617869	1829605	4410194	3961396	4855577		930771	1993281		5662791	3226304	3665522	6426851	3664570	
1,7-dimethylurate	1062238	510167	5448783	2476557	695236	2640316	5396637	2113789	44878	1621532	2702467	1323779	200296	681012	1564278	1065555	3219402	1256548	660247	96141		834459	248749	5348853	3113805	2790648		337393	488999	1283733	4944768	92551	71797	623557	801621	619574		421611	932098	940083			6550487	539233	1272832		961504	1724734	1180961	337755	879669	230894	586408	282278	1392281			8803292	11959068		52583408	1490470	581420	3103665	413691	1054112	1143527	2532797	185706	1100627	2133604	101590	135674	2201436	3142720	82580	2990489	762238	314096	2679143	2466884	9077100	4618443	15793326	7400375	7774658	3406906	6800635	2145501	10512151	293184	2983323	3288474	1618292	621548	2440060	812949	3335265	2034000	710966	212778	2347035	185470	586477	278071	1966824		1137186	9015477	2896744	21216741	2405692	89762	1595861	1001801	353540	239333	1236857	417649		901493					2426676	623997	623469		2427560		349474	445751	1595430	1846738			917193	1371124	561837		827383		1858472	34485	910064					2950465	2426620	72585	353935	2615058	4301715			161105	474331	1001579	389860	1040540	360660	701858	1199645	1639329	181306	308014	1741744	175152	566986	742524	2044532	2297405	2612026	246363
1-methylxanthine	2507590	4687640	5005442	6782882	948865	8985025	3966649	3937617	3099531	3294451	5222784	2749454	2610520	4987073	5578355	8395618	10284567	7445218	8776429	2976243	4570836	2066264	2501567	8270604	9212098	8595913	3587534	5414141	2787748	5224579	10236742	2351659	3276975	8966138	4512155	6443800	1218608	6696583	4920943	6384858	5932093	2295940	6705236	6237914	4951294	2872075	4487158	5022165	3469920	3549970	2474696	5043035	7597609	6038583	4110273	10122692	5166732	8290067	15933221	4406492	36728390	2292680	3176975	5728731	4867460	2466019	2391491	324215	7141367	5712193	5942119	6832853	2213052	9755825	5310319	1815741	3298878	3918882	2957893	6958061	6938544	13954248	10232360	17061180	8733959	10509322	5691956	10097032	2743553	12207801	1344723	234765	3750716	12625864	4253453	5261520	3473723	2206915	5667672	3649852	3044619	3948508	4397805	3114663	4896965	2327818		6297580	5301901	3735901	2009375	5836827	3235428	9593130	4618656	3134199	3534957	4504152	5356984	3564901	4168307	4584942	6147844	5029732	1954020	5684527	3462802	4738967	4600274	4166537	3097968	3688557	5020986	4047213	2778576	2772029	2605432	4038112	1442803	3535892	3379503	2665439	2839764	5014626	1607847	6665012		972794	4542349	771698	5089014	4679033	1078617	6759999	6974330	6410698	129244		6905369	4934749	4309898	5084644	5142440	3987368	3830899	6492880	7367251	2139979	2669970	6136427	4396989	4388324	6348570	6290925	6893839		5184133
N1-methylinosine				277386			107496			386957	473272				309458	44975	790197	306069	43757					83839						184900					62117										458634		391939		131837									1242017			612558	150686	148418							93675	336001				474352			100573			73331		108081	586797			1322134							241883	378661	445041		186350								441097		519838	155464	524064	1028359				569914	221303					58785					110511	132315							317446					189262					148226		613604					1210525	716329				264512					191599											82209		93001	95922		
N6-carbamoylthreonyladenosine	54799		55747	97838		64170	112478	90827	75248		254815	75832	55784	123282	121657	131130	170029	99219	120866	63190	51631				91476	60064	83736	26944	141303	36647	46766				101017	94378		51244		63974	112163	81733		94155		99085	41466		49086	36999	84546	57283		62390		36677	142224	93561	68708	191059	42064	56145	53211	95811	165147	199731	144195	179028		56688	42434		31222	62952	50485			34353							141189	113764			110870	77948	79688	49013	91708		77931		79386		77573	30353	29826			62204	91660		135163	59354	209831	34834	104951		72912					105119	136707	105799	71858	52164	154228	142343	45489			84546	26868	35548		220198	61908	133304	71035	90243	204340	45830	43628		155883	220472	217895	70296	66122	97093	45343		116022	66321		65251	59425		77024		103750	218694	37179	135639	84269	200280		57652	49275	53878	95738		30091	36611	24714	57765		69146	56174	154230	
phenylacetylglutamine			26399		135291							36962	163326	644573		138167	808383		48937	43296				42956	95946			256330	29940	58179	201838	81837	1604462	42136	62348025	24156	68599		1858289		1323870				69762			1306579					28829		354821				38596			94764			1404070	1757317		277265	1770342	101400	93503	4813034			788596		1202304	60461		2763656	5851190	44960		88942				495582				32183		277393	5731489			1148887		59245		34956	214861	7625660	63275	2297467	140903					211707	3084315	46437		214880					37521	24944080		12062608	127158	110944	725890	553931	42317	7502628			95370		934127	6639605		54736	36849	63972				509234	62230						1109364	52926	133873		4244046								7025433		36002	46445	26052278	125960		1625915						477682	200044
4-hydroxyhippurate										138938		281169																		236334					3404974						156802	231945			140638		963430				94686										668680				45173										148894								71305												730504										91794	192100	940852	52081					609094			424125						506474		709845		92079	67866	141266		363571			206967		153049	2417643								84131		88931		106976			148035			89122	157067								67522						36644								
5,6-dihydrouridine	1198219	535114	1049064	2927550	914859	3252698	2222709	2055861	1965408	808860	4168987	489180	2175438	1605240	1559027	3533330	3597093	1390571	2702360	1877915	1812585	843635	899661	1275025	2015437	2708648	975061	1012332	1724859	1025084	1359997	347476	4244633	615180	3944752	4002386	489689	1560050	1359571	3761323	3846229	4122851	49510	4531671	949546	3495267	588495	1332956	261969	4272624	2678863	1649275	1085415	1206038	186452	6012020	4370905	2408542	1070131	2913507	1575958	2768008	2366968	3467886	7514080	3510229	3906514	3751518	3359459	2719627	1786767	1435864	666118	446090	704686	1406611	2050730	1115717	333449	1733974	1790303	533187	902895	884855	3232443	3371326	476638	871108	1162017	2615473	1131773	3181157	2875395	922084	533796	2556720	701818		3412717	2284812	701567	879463	2668678	1098273	3496012	837977	3297908	515221	3899621	813379	1474903	2762259	1388741	1526172	1892941	3538065	1454214	1383444	2536149	2463401	2353808	710591	5948713	3277813	1110727		1116798	1607425	1736139	1450734	799282	6011176	1162655	1533926	773083	1351088	3948347	1572763	2451303	1361948	767819	3632112	4101401	1174681	728991	1655184	2401500	696041	3663908	2278780	225874	1089103	1755233	1014602	2722888	789001	2449980	4047984	2092257	2209711	1587193	4707103	1132697	3545585	1118678	1363813	2268275	374946	272960	942356	649799	1194712	997561	1762857	1130658	2183298	1632548
1-margaroylglycerol (17:0)	185494	585098	320546	894586	361681	1403404	210174	1723310	128065	113529	424509		256602	520688	284019		317391	153430	353414	420012	901237	447496	412773	162435	181877	147237	64368	497611		202703	570622	128793	181105	393030	859229		625352	2757301	85602	255467			1421724	3425029	304276	271791		409870		1105287	1410745	5869774		182199	597735	781808	2265923	1114910	2212385	1795009	326062	383571	2388522	2455270	6289122	8689428	2813945	6133522	721872	2096265	859860	6140967		1297678	333780	320316	172248	1631142	1771403	396007	378895	689787	219467	72707	1265856	1398751	1325014	325824	94096	255942	685081	2875592	4164145	742582	610871	1046029	186294		1902947	5216510	1193131	6564449	5886826	2811954	419880	266000	2151324	2303982	1112791	520056	1301765	315837	334419	4323663	1532076	617434	1314224	553469	2388238	203469	1246168	4327255	1638248	1071245	214919	190467	1247576	710733	1599701	311129	678182	1104278	324137		1509237	508039		361036	797419	250707		1888446	239702	98812	932070	350831	506656	1938837	4088629	3498359	1715015	869351	228325	1053930	832709	515967	1126257	1899403	5556144	684671	388908	1173748	765258	423637	871931	999352	553862	80013	801063	206980	153822	384782	552954	357268	1039594	6659926	212217
1-pentadecanoylglycerol (15:0)	1412816	2451219	1825219	3691820	1631468	2266905	1599291	5569939	964556	505932	3429806	2006719	969595	708521	1205927	868972	2146405	1351505	1393791	1258608	2165912	1982282	2265772	1152887	865499	667176	517572	937900	807943	744824	4253063	627926	1868978	1468880	783255	802250	4333617	3125983	2124140	1537627	2136608	2037430	1229792	3119081	458606	1916124	411744	4510460	1100902	6332749	7821731	4982903	801944	1071187	7146578	2961032	4967899	2586670	6019414	2756976	1400959	1396147	2499980	10033966	4135034	5095281	5055719	10171369	1651666	1515642	1056543	1602486	430025	1132228	938942	903199	1213850	2865219	4407161	2273294	1699536	2654238	922902	1762326	2812386	3531543		3438420	1178721	789488	2376793	17647331	7180417	2781347	834843	2348295	1086583		2799816	3445730	2122084	4900421	8789864	4889434	2234845	663152	3835750	4466555	3973988	1195265	2747589	2022260	515159	14500955	1890344	1943548	715256	3408377	7450724	1036966	2281450	4771130	5566955	6529950	1446480	679825	1184766	2597988	478728	1049502	809295	4527765	1202821	418789	1861541	1057817	695676	667006	3567571	846846	772777	4806239	5996103	970467	2482862	1697724	2384651	3220610	5793901	4702156	2196092	2333433	665850	2940523	2807167	2211964	5690441	10309496	8430890	2327350	1150670	2253204	4691426	1606717	2313452	6113316	2153870	976407	1015527	1107185	775976	1338829	2113987	1516744	1092599	13463440	1644338
1-linolenoylglycerol (18:3)	168572	693571	152632	270216	677729		1596930	7208900	2387742	333008	1323160	819841	2560460	1104211	920135	592681	1201988	1260574	491719	2382530	3281666	147763	704252	2302923	363736	408094	6325205	1241936	1903581	4965495	168273		271085	630183	262717	1784535	6582694	928141	1629140	700740	1757986	2794849	429233	882549	509892	1590277	8872096	1681471	4625153	1224587	911012	57191798	41062862	683384	1383111	1158428	344873	5684151	1114736	1655199	425523	10699017	10004718	1592601		2400981	14124144	570463	542335	1204005	14076732	5670725	1036285	2914704	457956	4007088	8365085	1985331	858447	2307502	688767	1579391	1266738	1847263	1426317	1131429	4159675	699086	913136	563559	947757	767220	2072371	8998605	16567039	1434225	973241	139109	1924396	2659982	3557322	538781	1652103	6037923		6473717	5105523	2039111	478779	7976943	3306959	401070	706776	1543943	2619597	7077846	900880	876955	30876239	979052	18004194	9152088	544920	1252419	1410588	491051	458931	1239705	2969809	722978	51892256	1552542	1141218	3514698	2213641	2682767	1260346	9064208	627418	469615	643898	11762195	6715974	985743	2479655	1845087	736597	5269434	6535687	4116376	1066074	3192143	775131	1948718	3611642	706380	509380	1342681	4690784	6525361	13858379	31479841	596527	7628568	124559817	16685535	898399	6259015	799954	1898771	654016	8788241	3128405	4013728	388083	15544771	1439798
5-methyluridine (ribothymidine)	341017	191826	575368	1191795	673257	447702	322280	1081621	875407	1155452	1408231	227743	2727878	699890	454555	2938555	2149519	825177	3071946	713938	578102	414100	274830	678975	1087976	1365060	354219	84411	1665859	330198	1182389	97690	1184785	205711	1432787	3831699	337909	627872	602386	1384963	3039468	1052641		2371225	706092	1915702	264510	1155565	441496	1162065	1691646	1143348	1086499	763867	126655	1638454	1311739	1790470	746073	3849065	915213	1993656	2250105	1083960	3662605	1212057	2435677	3222598	2513411	1124956	1611852	563155	544574	220688	183644	727865	1588469	737195	186260	1064788	1271794	287009	550811	1601214	1621650	2561531	61937	368625	941832	2606480	467958	3032882	1775410	336315	202172	1822510	611127		3968456	678981	328047	208361	1304312	566265	1939771	669522	2652354	385852	2317915	731880	1780631	1002693	552540	359448	906938	971656	664595	790677	4665153	3826900	1296967	175458	5737736	1659041	125017	212702	261165	1564324	1107818	931766	307113	1283410	980924	628824	334222	424235	739889	862914	1352578	414285	848646	1868396	2422968	522872	314421	1106487	230584	446065	1618001	982593	162813	680461	1258924	398644	887972	692472	778218	1657218	386914	1452831	571609	4216037	897395	1651763	724690	495038	1133541	285696	469924	277232	238654	336486	293939	1317200	624641	1057397	3384326
valerylglycine					297043				406651	138752			154595		112750		533357														1546525		3397157										72062		375598		273943			216256																			874434									149386						185091			898333			262669					110044		132393							128615	142933	235086	1069849	103971		104883		311264			409610														312799									170876																136158		88320							177602			173069	744288										
isovalerylglycine	581557	128379	1069009	762914	424197	72484	145610	842791	160980		893985		244918	505812	181011	421441	803486	153952	206243		221228	353391	373608	428036	852560	440471	112038	333473		355634	1112623	212893	1941078	240191	673603	549259	177409	370575	354604	548268	226429	525913		396767	171604	375241	286958	218088		416078	513500	217309	624717	528521	328139	307699	443718	590058	824043	183187	297233	456458	259668	474289	605781	566452	1363134	406033	267420	224893	208838	123659			473822		311443	215775	584676	704264	372159	561690	310624	189190	366241	207672	668418			308374	181496	413825	1266830	480618	268164	135814			373348	408326		441629	325620		572592	590515	842208	96888	381045	166466	428757	429333		641653	282365	305761	231152	269421	243555		356713	302837	420546	494439		546271	413506			533421		253065	507034	127053	236771	615099	168647	371327	402307	375599		497164		571823	307610	286906	566943	267473	451990	286754	360621	193868		235134	238915	312241		210396	257089	190260	446941	377433	528992	526066		174743	558475		203613		410038	260118	374121	281124	285332	464919	
3-hydroxydodecanedioate*	245784	293043	331515	443187	195198	291104	156971	336009	99278	686830	352400	341502	124784	258455	139573	239879	143793	975425	138767	299475	442378	333270	295275	272808	251209	219885		267405	506106	549763	82982	162682	357265	241316	350740	126538	355264	89540	463488	227250	406667	146255	425017	655008	179171	91276	284636			312968	110596	678520	162133	212678	256539	361937	229787		212621	268126		206847	714723	360497	146293	430823	176226	308603	278762	125326	134680	784682	434575	641817	573854		196149	187539	231238	196245	235695	428518	451817	247358	204875	230893	218797	334434		840112	278272	224829	227208	242299	268741	229367	408598	396807				92456	447859	473066	189377	467052	552020	688066	224016	250984	114497	273988	323646	298646	515588	762711	462834	259142	260382	644715	292775	407017	250090	291931	352175	422726	340608	384461	683651	482623	588227	116040	851781	139208	497126	441385	124927	229969		440756	832374	168122	244622	70948	859049	420080	195638	865993	560704	233003	243809	108850	411192	314241	222589	158240	163197	299584	200013	153649	798550	206017	197804	308432	247178	246497	232245	1005214	219284	103500	813765	241512	596241	239243	278323	247367	652729
1-stearoyl-GPG (18:0)		238995	116128	2430464	143212	381440	1495741	1280855	775414	1155270	4207582	7097201	429150	190351	4939047	140150	2362622	2084913	2575017	961270	215562	476176	883393	473910	407754	84215	652840	115792	349332	1090580	307918	753609	171041		1303210	106253	356330	252870	316325	168863	1191175	2375659	1201312	739596	1861335	3771556	4225466	711460	11432500	421758	404206	1854572	431143	152382	359196	1087258	3119898	2813116	1560611	26968710	320557	1662161	3352976	653742	5543134	1367024	1722171	3249898	149652	270122	645660	2115099	2419877	1269499	626861	1022892	162664	2885059	454955	244923	208263	292519	212650	403930	6200814	3908470	1296891	3836967	2590812	293633	1705803	1107570	1444235	1369993	7120517	8810469	580447	1793715	1421178	3849640	2745756	1490215	6239341	730247	488796	443042	2081282	3220845	884315	424964	1774601	187340	5619396	857913	755039	1151464	623741	182622	430096	283007	631845	1171493	4869027	1203409	1448880	1726303	1665242	419933	2301253	1371853	8930710	296648	763947	1693032	1936574	717322	102777	677330	1173739	458500	910474	1654867	1983608	180745	951611	2939810	1311571	57775732	5304510	11667783	6430099	3862029	1580291	658036	433905	388694	1471237	1723325	2879352	394630	622274	238579	449907	395398	1166959	1623770	1520553	1978182	1162087	810482	1166283	222377	569380	386304	639129	1592302	514185
N1-methyl-2-pyridone-5-carboxamide	118344	143019	140569	127652	93699	233636	292728	522595	500239	858752			1135546	180093	464529	448140	1107937	871188	1089945	988291	594982	214384	149929	698237	917155	335371	461592	1000025	508460	208271	215759	204789	561222	228639	2029911	575031	219016	743247	1329221	660962	1189040	1626551	477369	801676	436551	341308	885602	424324	533692	473436	469871	1637514	160817	413334	143538	691844	411971	506527	500833	989667	1128262	1186009	638600	623795	356219	595446	236659	473358	447552	813042	299897	797669	770423	1556964	620421	339149	777439	640851	511304	845358	815432	480673	279127	468861	463248	1086252	56350	199594	733699	909927	146150	158291	142794	367160	1143645	217765	256441	244995	337820	302096	1099113	341032	1463431	1225728	500827	1551178	724288	1081283		1222506	1632715	367662	773520	286102	348894	316160	468738	505347	641274	544674	387274	684325	522148	1768161	473352	663754	266651	568019	283786	507760	387222	437489	164132	540426	410359	1885936	464560	303299	82474		1028264		574784	740942	419766	1907957	381557	746776	1098246	1311520	284002	260590	1060433	543771	468213	263019			631630	259226	474158	906774	496168	1620474	490472	189663	661887	974541	1428052	853747	777820		468951				557388
mead acid (20:3n9)	4272320	23432503	9642041	10590464		117915712					6526489	10493133		10852700	2613246	9182093	303574	16570344							126455562	125523						1176604	858144	8713048		17233882		176680589		67468569		39396564	19371294	40759388	40833377		6593383		34860246	2802087	10928712		45050544			3473387	12055349		111070277	844886				55668676	4177789	262106604		178129319	59074772	12152901				35677353			7271306					62895432	7704149	55880311	6164841	29866345	106439895				12189806			36964246	28009815	4503539	1262298	1272422	37679156					9003684		10749501	3633394	65761819	116001302		34227790	40813955	6632616		6754362	40422947	10227663	84409505	9253287	9848414	89794475	233116825	3783783		5490873		40268504		7369282	5186548				129994	86428446		83076	9272953	146563550		5623806					5273801	503259				49733456			14784718		6922766	5433804		39514261	123707231	7563686	22811084	2743347		19187862	84890405								8751599	4985526		
phenol sulfate				72173			104854	443352	3757559	2432160	445502	1061498	318689	184880	197061	53129	100156	93463	1543921	211181	144348			283488	237632	132098	1778929	221558	2016831	432728					5142088				394831		67311	187359			116609		2277081	138381	493401			1539780	26138	2473234		58996	71785	220638		26036	200509	4253990	9947142	161900	152460	31971	106859		183766	54102		24104	1432851	762839	316916	3271949	105446	10214518		390745	483024	152643	283031	193403	17563			30236	366593	3261776				22925	3906626	536548	330237	1824242	231003	62098	961616	1177537	280042	622572		847638	932716	235027	171987	1283212	2452160		211705		576207	4517933	290907			46818	140360	826925		263861	27786	107654	2841862	430123	1831945	134930	276718	2026381	105436	85070	126439	2890026	1043036	7764390	378110	218431	163322			53993	546416	203967		584638	362025	507556	565711	649009	113138	263747	130718	131815			287937	103624	1999582	192317		207335	748298	134804	509322	28967	18244309	193752	3022537	132531		152970	480332		253831
hexanoylglycine					255102																										139203	89066	278675		98453															113605															80012		142972																				449765																									83811										123029																																									130894	157790			59350										
2-hydroxy-3-methylvalerate	115377	671187	301553	334593	323628	95242	113917	140501	3816644	461964	191187	747927	808687	454761	1524467	153234	192713	1238480	968049	1614537	524367	246384	99337	68996	374354	189095	596167	191181	293385	1318470	16174111	89609	29318684	3125024	895161	16306588		133380	233865	215576	361895	96687	106074	141621	502564	300945	504656	1000059	6491434	1193833	139638	110187	1824591	384204	137792	1075196	86069	559222	88233	413008	265074	145269	875717		255069	121986	403972	924812	3147394	1406099	868570	1262183	1137107	773662	232995	180065	251585	780660	53933	711999	826221	338588	147700	877004	192893	127034	80320	176146	540549	188671	243546	339603	72890	594158	1842047	513913	1831066	799065	824687	1024515	25642434	573070	11478466	1005626	154240	3236066	89860	1723615	208055	1067820	692883	4399806	693224		428206	1226988	227621	95088	1660975		129989	570826	819964	223049	170172	3265856	3219353	862562	1521854	253309	562740	391936	310761	1675831	329283	755228	554347	1404388	181039	545689	1750980	179743	829859		884541	688152		9679762	2155063	2979521	1329095		1422705	112827	122990	271512	62158	116746	135948	715106	2352735	357349	273491	1001066	216408	776232	279456	257903	1453199		170078	1441234	239771	85820	1498274	179324	1839925
ferulate	389002	1057022	328888	2382642	473477	163148	704962	1436152	1077590	623424	1778591	16107971	2746130	2937149	35318081	731809	2976384	13406332	2117774	661934	2657192	247189	333007	806419	533987	902582	7839120	3289523	1569418	1261636	277367	205100	154001	200536	2454233	473759	991958	208577	4131703	409787	1402801	3490590	723199	1966397	1398321	2181256	7236968	1775821	3571771	442563	387172	2094295	2994062	490799	825608	620542	485520	363210	621749	8595052	152370	2704062	7638102	693839	5658481	410330	698412	490241	3251361	503755	1218043	2538441	5734311	1972258	697494	4619481	2418933	4388765	1089268	2643315	3863281	3153488	645289	488487	4623257	3578692	1938983	1629342	4541479	629798	5241542	297820	1649623	978545	3906675	5312127	1453519	1845186	2549530	197306	1499846	607679	1360247	621303	440677	3335768	812439	3019948	387001	1268345	1761239	408689	9405974	308789	1195909	10871390	919176	705461	1455188	1109810	6117402	3774986	370733	261592	2797145	10430450	6000030	3038194	2047636	333341	922850	7003011	271123	4225049	196923	2127877	1200056	3585200	825577	1459316	827388	820078	5208887	861570	8244917	894960	675679	10572247	13163546	1180241	17001723	511019	640448	835968	520771	516420	117129	1159061	852308	610809	4855133	3129846	439360	4141071	1871061	375031	462144	2034934	3050757	1474263	603404	582794	307151	907125	1277286	177523	10644574
1-myristoyl-GPE (14:0)	54082	1086813	326531	1292976	284310	1539422	1801809	193894	529776	142539	249185	3215600		155455	393550	179501	195741	167748	1069872	1359711	163539	149489	274758	484264		93626	130770	162562	606716	288741	173149	325883		48309	721656		104473	277422	242313	654502	1213355	469315	396179	620814	948261	2083097	257657	193808	1004407		755109			58510	963638	271618	3022191	3073688	2727338	2519037	1190107		2075519	2474690	713302			1837682		270424	805114		112451	314298	299409	559735		861076	2333838	430174	152647	81066	396219		1092369	1233904		1340484	1141904	368925	2027108	3180178	1691556	426187	500311	1913841	410966	139798	1263262			424595	1545802		1015103	136075	6981750	4486267	5309351	335367	3017672		428747	1402311		130639		676166		260429	894649	558128	602383	237309	1034839	537489	411163	249071	254638	297024		1202399	169874	155379	838117	183579			720284	170623	269688	1514858	845027	386624	1064382	786186	380736	5573197	865565	4084961	1516939	823742	325193	1209112	423089	74988	3537278	1823423	1198499		421918	196875				993878	1175882	595857	489245	1357439			486519	279418	362569	3673700	
N-acetylcitrulline	145503	290962	240027	308228	162093	424031	122702	286982	330543	114190	443530	310428	285712	118938	425801	155232	231947	486586	632957	1092439	168145	840473	556495	576239	260051	278716	140502	572356	215334	305158	468486	95977	1528843	145779	185308	561486	471877	74675	145105	160623	223682	156435	107661	82941	114192	71464	174441	195770	143582	213867	122766	419689	134248	216389	79945	407135	265206	63606	136349	150314	155954	154145	272500	196627	184911	152138	244638	335605	266805	277461	147386	453104	228702	94072	106740	186199	120997	290064	152050	121524	122186	152367	69496	257510	113219	123493	532866	181257	276421	183130	145935	105797	99136	261160	416118	288118	222050	153749	74394	452309		104382	369585	296663	184440	343778	179015	61757	190049	433333	213203	469021	146792	227641	98330	181883		261400	344193	256918	116346	170309	263321	245226	587919	333110	286454	167591	170045	450420	328628	274117	281646		441789	305568		289271	263388	499983	422592	168477	340314		152826	208498	166128	214982	1148347	370146	136735	488926	365249		377698	179744	81070	105694	152061	394067	491759	284803	159451	325584	195351	453827	313666	414571	145893	214033	148724	120668	354356		187969	287606	317303
2-hydroxypalmitate	114382809	57990088	272482200	756298014	345087383	839244024	299707003	605613531	10698121	12848245	274060682	14820131	13475010	74516600	17639119	77811064	324784543	6324535	18307915.2		28520812	353527088	25214386	25271007	412615988	160825025	33926060	311106330	14947404	15706939	573682067	303303835	98557250	137536624	280614115	89352221	177012395	789245712	85226146	390597839	612212280	349507187	13107881	746705824	21865649	29071863	125134987	110673090	144333584	420407101	497213939	33833200.8	220471522	140422513	309806725	1001041791	907579682	23317788	1073985439	894885585	170780017	37098872	44072753	1056563817	469358115	2436033241	361159134	1705388862	226682004	154676178	292059596	30291960	20496247	11426626	96868236	10210984	74514871	53292917	391244136	286488635	220533078	290229366	141085379	380458720	894626913	740871437	833179206	65272428	11949683	121280311	86912764	1229497888	859522438	862627991	59392381	23607838	41076367	47229405	143995724	116941691	92441918	55134995.4	71473365	381865765	323123498	22322694	740423685	355030010	471922441	13238844	14244510	556606005	122424297	1117125324	213193996	203973498	118985145	340570810	268128236	57970946	13922404	719299212	997708198	633202242	29456186	28542143	21322189	244296693	14483186	25996284	11570779.8	261584184	16227353.5	8182920		12784680	6711369	40863662	470672235	12570433	6244859	232874437	217021573	61640504	31639382	299067343	337959846	119426899	114020275	107318940	52520356.1	409963970	14878952.8	26201081	352272787	114855558	478140456	814348832	31150732	695139384	227965452	390022734	292772632	96968294	106820308	43623107	10217602.6	35950651	32598681	18982718	21635405	133644791	16401314	126221194	121050240	1866384250	229759137
docosapentaenoate (n6 DPA; 22:5n6)	506651	11884509	749506	713665	3005098	5800366	7631578	5430688		488840	1154759	1547387	1262085	1377515	569731	1644022	327839	2265666	1730937	1138998	2588219	2163124		954810	12562991		652441	441655	312179		528849	235579		1408462	3198708	3330664				6845492		4886035	4819967		41810842		2773900	1247157	4262958	3258242	4459349		20691543	2516124	233744	904094	3445761			253879			1713745		1651778	13791849			26776569	3238824	2762828		308386	45370407	2071741	1239585	2452898			1384790	1583895	6747372	1338609	9622671	1356323	3212867	17863490	3015192	1966346	1244918	2418874				1997855	3340669	3422847	3369690	8454892		4562140			71276614	121826	2960900	2377658	17356892	33029295	1507838	4297036	3040218	7886520		24578814	10024268	1385273	7156862	1330581	2587585	22544102		1879956	311492	1600521	949270	29302873		2833202	1547174	1583158	2603640		229888				3329678	43056954	442817	1127124		2168114		14252145	1099399	141292	5858244			10444422	7121644			2038975	1038736	2713121	6403450		18889607		9812469	2441608	1805826	3434394	19050740	5329866		1414464			3673395		2169027	1166889		
isobutyrylglycine	157954		309210	230453	122636			198133			182691		75470	110179		226653	190029						235440	213675	242173	68134					219906		612746	87350				143462		97015				179282	46040						80812		155107	52107		93320	238680		256077	65412	122698	81950		126964	112770	246633	331243		69889		197835									212466	120974	230918					220268			99782		166581	406067						56708							85982	160228		126423		168776			174087				134066						57029		130888	75116						284069		48215	308786										57096	290705				83482			51991							92912		148263				107172		69230				109441			199316	
phenylpropionylglycine				42062					92936	22687	98076	36428	163456	35538	118611		1025165														144499		250072	33439	24655			89009									52722		59204																43070				69811																												67929										255184	184163					31268		248929		105918		20543																																	113798						48497							38405	76904	173118										
hydroquinone sulfate									68731	36114		53696												28177		41083	110559			34439					161407																												423214													226528		206381						45441					38517						95407	27430		505361			124801					30967				56977			80618			182067											417164		279415		23065			152746		202478				28937											81527										56815				55776		146895		30492								
catechol sulfate				336914			127597	385551	8032507	14523018	97428	6631079	273646	61833	457952	155306	1271529	46048	737823	92864	32202			867498	585111	561667	15021648	156296	2383189	890068	33684		17956		11079056	35726			192289			286200			1424693	169823	14359264	399145	38980003			82003		105000		184051	197911	612392	84019	187207	495838	2489647	8660025	201242	314365				47129			88830	2959836	1157478	4774876	9173051	99559	6627613		397253	413824	407891	1236946	1043474	78093	100297	45246	197652	1856815	1118801	183843			367826	16854101	2948537	3419235	21060492	1443290		14097449	2935807	1536404	621852	85718	4840487	873687	575759	378954	2847068	700532		7599637		10904682	54375344	1841672			123992	48724	412757	252501	789593	1013420	1735331	1627348		11028861	433652	4091102	98842	477324	3018992	51840	2402304	973982	7683938	50109	970836	569336	84217	227112	429000	709019	61725		18265052			1859416	985363	291281		153855	138764			276463	308255	3266527	248492		93535	3357780	78781	1490254	1139880	4976180	138853	983484	198680	156057	128667	1324235		911873
N-acetyl-aspartyl-glutamate (NAAG)															92165			502967	4051369	2319293								162462	332954	1317486					139887										170992				50166											209951													170610															303446							326845					2184129			681499										2542011										105509	40590	22857079								34784			105466													961825	143488			3892407								122489							297181									
tetradecanedioate (C14-DC)	110729	788037	104954	120387	236845	210834	273487	284701	152725	258409	413886	144182	370343	519054	675788	484498	610738	384025	628867	432026	439816	169802	247914	317293	196898	921753	190417	233652	134212	133769	473486	718348	373980	197321	315234	355703	392826	299421	632467	152959	393469	143048	823014	500689	632452	184175	431378	475770	210015	109157	214551	607438	476279	353131	584522	435695	116650	334962	413085	525894	510624	313802	383244	484544	245794	230640	210788	247252	741886	445114	550095	910723	363525	571111	284291	261392	321637	509013	503252	487104	704071	320328	451256	711107	380666	610080	321633	760117	779893	329888	546014	243530	707739	332091	285792	311986	420502	140787	887454	129148	152970	153078	381133	645448	422421	310223	587740	352882	680636	569557	640283	235974	211154	307530	387121	243870	406174	426804	200422	436434	444013	220605	398706	336862	261854	319244	363410	448202	545715	441519	390519	427003	591682	352956	592711	417122	305632	460412	198112	488320	353047	320423	207748	244512	434345	683998	778599	366943	427547	355238	443188	449488	268570	228095	331068	381952	329881	407667	324435	238546	140381	360394	207604	303158	366262	703071	487347	441991	361577	426997	359457	402704	457963	479285	540730	395144	490019
hexadecanedioate (C16-DC)	1551686	2803299	1456408	796904	1527500	625933	1784350	1331632	784672	1166203	3094798	675715	2110907	2592035	1487755	2843813	1705187	1985567	4417599	1619420	3586903	3087167	3672328	1682759	1184391	1957303	1669957	2137983	809935	1440165	2870871	3487113	1650777	1069315	866344	851548	2817029	2979901	2938662	1441494	1277245	1796925	2800192	2730016	1065548	1651330	1858651	1397794	652186	1214326	1316910	1681070	4278251	2992469	2759993	2030178	737042	1211195	1340822	1606820	1443784	2900442	1719446	1600996	1078213	388357	2327799	513658	2198756	4737236	1631519	2181925	1780811	1248979	1131911	716274	1548548	949091	2086941	2436795	2574767	1494274	1269137	1727501	1355632	1336293	1094023	2346475	2477131	1142210	7670583	1104801	1327649	1215566	742625	1380983	1519067	1105885	1110390	927257	1311864	892867	1002808	2573050	1281514	1801346	989445	965311	2156416	2003270	1233806	3814228	293418	1991801	1629185	1498450	2566525	1507210	537093	1115333	1467646	1402414	1411133	1152760	1374414	1003705	1493282	3422549	2155353	1825797	678043	1396645	3518981	620397	5247732	1489078	1486660	759453	967820	2165441	2601057	858893	1874171	946015	1800345	3629136	3484563	1460289	1934605	1541481	1826853	1840462	1416169	2865999	1453131	1056193	1492997	1194836	1783658	644567	556594	1768111	1864043	1180714	1048811	2156066	1697540	1561770	2804565	1412023	2432530	2190316	2033803	1855384	1796483	1557564	3240930
octadecanedioate (C18-DC)	5420253	9814404	4574099	3016123	3088161	2377071	2617196			725715	8333084	1289896	2357649	3122533	5083111	4494579	9978806	1544956	2924173	5706909	7173163	4452621	4272657	3886223	52682245	12348422		6806075	4678067	4059366	31519718	35007836	8767561	8350970	5344384	2213262	2180319	3028109	4812385	3497098	3664311	2292138	8548160	4068388	1855409	3145883	4510690	578674	3179857	2640196	12447431	5775017	14121626	7830331	16371600	24728407	7675089	5208789	4776168	7866526	2503592	2091626	4247474	2486741	7873273	2223711	11041035	1308769	8675475	4133185	2850145	1234979	1308467	2700863	1279236	2106228	6771026	1972868	3970796	7174981	5400724	3875065	2142716	4961263	6603089	5363088	2290801	12988520	8019945	1581796	5950389	5505035	4338412	2580546	3051866	697380	1401349	662250	1146969	1254920	3903062	2367845	6333453	3641781	12964591	3904309	13659928	2024774	2599534	3020484	1679709	3506002	2398020	5575667	4716607	2933994	2563061	9056624	2882793	1645593	4668585	8369750	18774130	17270474	1504181	1388482	2548437	1488203	4377786	4142481	3149121	1904735	8144463	1362290	5877208	975611	1335676	4914061	2452936	5006875	1892377	6248597	2737747	4565109	5150432	6650392	35626608	2783568	6419087	1336504	4798571	1494531	758412	6086586	5912756	1578846	4886977	3973050	1864405	1799295	3768552	3796422	13820729	3248802	1696183	8389440	1975859	2059309	1332183	1856381	2077637	2379120	5186450	1769517	3133527	5618845	3733350
undecanedioate (C11-DC)	1015125	826070	1940500	1077496	699220	580421	1791118	2483061	213390	1504555	1458834	153713	770266	1172777	2076085	4654355	2105243	788735	677538	279600	1027627	1618478	830304	1978025	1156313	2986330	1849304	2393585	2010651	1493676	8912707	681556	3949106	921114	627399	1310086	1272634	814894	1044289	5219789	4295362	3604757	1253155	2864530	578003	5021502	2113416	576535	735235	2776939	4221647	1145826	1950928	4684089	1980730	3785929	2207551	1815102	1820742	5431983	1163858	1170025	743447	1242482	1923805	481196	3346592	2421093	1828634	1391530	2735690	991543	528005	1165594	606794	845159	4047241	452246	1183522	3710612	3349931	1986520	2156409	1895853	4688765	2041183	998036	541566	983437	2817017	817901	2409658	13284713	2381871	699436	524545	579712	443438	1628820	575193	680449	1562047	897680	1148331	1672001	1256498	2720041	1095974	2083772	602507	814036	604400	420423	2531049	649460	761948	861368	2633594	2893005	1205325	802355	2841253	6352220	4841603	791768	1382367	700629	931897	989704	1026973	575110	1181104	2104771	248894	955400	539500	449628	1593444	448438	1107955	645059	1361591	696325	2245329	1227556	1143704	2510359	908477	1048064	421735	832800	1204885	409233	1594194	4338140	1483192	513231	3168149	656467	2684471	2352812	2336911	3036635	1967332	944254	5635526	2172529	970141	1074601	963711	1587709	2073152	1869803	1444340	615056	1524493	2078290
1-myristoylglycerol (14:0)	1474945	3838483	2660957	1501237	2360525	1761528	1082027	10589108	709604	1019771	2839623		1990086	1312117	1702882	1047232	1200691	1972788	594267	1858648	1831240	995651	864544		350668	429608		732420		259668	2378585	2080962	556441	4235255	2177832	12608960	5726191	6114638	967582	536121		447508	1384867	3335730	3178454	1266873	556496			2801006	2775744	17323475	1095041	5915612	2587370	1398637	5449344	8804975	10212924	1974157	10139834	1006473	1489604	4581702		12097951	1355311	2968113	3014681	4135931	1601835	7437880	581398	1978111	3276766	1316223	2616428	6575330	4590752	3752996	2165911	2184542	1093216	1750527	1257200	3212769		1377895	994850	1208507	1402007	4006605	11159623	9546478	870640	7771253	575595		3144871	16549505	1177687	10824585	20065132	7845164	1319676	1772022	1725395	4569882	5253644	2418949	6522676	2511070	894253	10290189	4196554	2828983	3197192	2591862	6152646	1465893	4508457	14281100	1164823	1511947	713041	641942	1469298	2728926	2829558	2459347	3013358	22131250	1030394	1101706	8884908	2176201	6915167	1208455	3055610	6605989	862210	4508016	832837	791962	1529166	962804	1048212	4736360	6645970	18155317	3542421	1294617	1941280	7320554	1819859	3907450	2646396	3282025	31817057	2279094	918447	8722757	2752315	12709811	4312515	4386345	1936608	3240124	1047169	1401386	242465	2619817	3276189	1523027	1142385	10405337	1989121
2-(4-hydroxyphenyl)propionate										931042				321594		998257	1528629		386694		197713				208807		5356132									130194						381538		287522	389075	818181												2060659			209754						304409				537665					799530				307453	337647			93722	992274	244157					269815			464279								15352361							388998						140448					331520						2753251	1021728		474398	576156				71060				41197438									181076																								83091	939426					
3-(2-hydroxyphenyl)propionate							162813		721435		154240			498330			620381														82594											2718528	140196									247236		166957		196428			567511	256800			642761		854277						82859	319848									132794			153175		256321			319930				93295	190919							292962						135528								933297		201701														466233	808910		331709			417106													849052		1071186						870386					172954	699157	877226	749609	366630										143075
3-(3-hydroxyphenyl)propionate	5279391	33196531	19175178	3839800	1215407	17153499	470591	1752969	179159864	336372472	91656809	3664603	1102488	1022988	113083482	1333949	121491871	149286094	58712702	17213870	49052754	9090710	9856719	37704503	11922621	98683869	211965054	32696337	57877169	63063797	2120848	2342304	1175263	840994	591138526	79976692	12514403	7348651	59123312		572638	635461	41992241	106460310	85781326	112916563	627230145	306066983	226461718	44300762	1194577	75247134	431504	32691668	49090807	1707176	667313	179162988	119561799	22684014	129581267	191177960	258379427	1035690	877190	136957	2521024		114397592	5697126	469682	117015146	146412377	54288567	56153018	264431680	114740796	180028437	29212154	572110	659861	351616	517830	933035	103396189	23933084	57418265	21718034	125642526	95431125	7437813	908318	662453	426543	39184354	153484936	161487450		206670701	90874411	135155656	46037552	79329547	63674407	1041836	253338699	996764	90872274	109458062	70070485	106824786	24396748	17771194	26198274	8204812	619422782	25854768	1244130	569202	205808833	111848542	86717421	61758014	81709578	36874379	68782918	35585630	78244692	192518210	110069081	118929525	583924	11889231	86968623	11372653	75972957	21470018	134197278	23305541	78515100	57805694	134931174	299034127	480443398	122968954	140891396	67420209	83966437	280132338	40418054	230683802	18527802	127941051	80220083	58356718	106533627	6769013	6235730	19890167	110036683	282515110	100501691	576781	1602212	4229118	1424790	2329845	460333420	195756208	189517678	105777301	110518584	68019237	89004808	146616651	50314704	72899856
formononetin							177013		1869270			57079					127234										69364		148626	204224													158847		131475		1545441						25371									38503	98556							40817	61995			49235	25933	25108																			133448	132534						822385											295608						33127						72076			40477				95019	53604	49318	31041			2946073							148999								180262								283478										69217						
vanillate			164177		158983	111223	370123	607255	505974	787416	132900	587464	494396	169387	192927		999387		460238	742393	263613		228629	381713	57181	108227	479508	113928	173891	635094	329167	130773			419911	316599		129277	3464445	154435	235663	313529			287413	156606	486464	323455	2074096		100088	246561	251779	686149	164552		127961			266719	358462	1549394	625976		525664	370210	252620		123134		336622	163859	367809			863716	98261	1794687	244572	119338	165260	68124			280504	98522		770614	562140	152301			105078	187318	253795	138886	292371	128037	432288	341693	472107	86342	104338	844387	266996	350934	659431	291511		368974	313538		2283258		107713	691255	139397	200724	905624		98289	272675	148056	564219	161881	176611	519517	122802	329319	532789	710899	50033		709027	107854	575886	92290	1141054		240938	1048792	210196	366121		347338	341756		1576744	145633	3518761	1336079	551309	172932		314254	145178	201430	261185	164816	422951	422634	122485	158428	539429	619443	166172	939903	1484050	396824	1455065	282280	163828		203332			184137
1-palmitoyl-GPI (16:0)			126605	19535276		2197124	6826852	14432456	5768495	4182464	5120066	41288591	698953	5834365	42454604		3000321	4680102	4800030	4662457	793824	8764157	24224199	4705364	205116	47079	3015411		3445157	2159061	217181	1125542	542562		1933107	660029	2902629		2553168		4231560	2143447	160078	900467	8277408	2815903	8244527	1508055	25122435		337137	54076515	15801844		280132	470878	386682	7194697	1158733	34284530	978485	45765379	40458806	614582	7805168	3439128		2609325		1384031	20418725	21820413	49267006	1958453	1284942	10973212	11304058	7402719	787364	1783010	625142		1360713	958972	1317426	1377817		11166042	9336765	371186	1897274	2153435	14490701	630457	18373841	17748661	4268540	7225615	2500289	25070760	173971362	6697998	20999555		256634		1385260	16229921	1591463	14556409	2801782	225973	22375235		46451740	32898700	3925981	2439342	11219145	3724419	9674965	2454178	717915	2268317	2457440	5061749	5454662	1243841	1353357	8505980	216029297	2562528	3306321	15937955	1139993	5438559	998499	8570630	6183297	9806098	1613612	3878902	4932959	2793268	7438294	10656972	846466	105220736	48726615	24611857	25005767	1730322	3986189	1813839	1113532	148442	2371471	5728072	154867078	9586975	4179820	5000690	547114	6950056	4552251	7094487	3519572	18408416	5741733	5081693	2531919	681688	689246	958046	968617	4475629	6925031
glycolithocholate sulfate*				114539		32778	116585	147258		55983	255119	8343789	90569			77520	562684	172506	342637	697603	168611					39534							86224		58945		428892			133558	69201					177096	77245	255281	86219			108248						60409	54556	64342	80499	163134	693365	61445	1302169	48839	114786	200641			148600		56348	178363	162203	124932		471980	38224	153339	111170	145198	102773		114548				178326	52149		279577		60304	311582	485540			788954		435024	445721	119493			653361				89682	567276		1420205	48928		118974		85666	476871			24363		77641		2817567	198562	1088716			208806			323384				135745	40102			145281	473373	71030		605680	77085	10444932	88761	456972	149775	51445	33032	61523		68346		75229	248269		70829		119268	575568	163275		50926	1231960	791585	363829	86689			114002	33039		40555
taurolithocholate 3-sulfate				27575						159901	113482	13000825	38344				474795	305061	84121	763960		67828	115946												155469										203615	71061	82448	1034871	87249			97752						99238				647356	258118		286769		35427				44122	49113	370736	213591	178801	651282		526380		39938		53769	47502						796289			61202			333890	440199	154717	45399	1138291		1053322	298197	74482	110913		1063228			46490	980513	1477215		5737916			292133		35888	200225							2733730	253275	678653			1721974		94345	533942				176206		159215	154036		683809			522042	29929	5987506	104670	1058466	413554		169557			39973		53921	866525		59117			247528	422260		41060	1761556	2068296	130493	97329			62206			
N6-succinyladenosine												272865																							123028																														94955						25062							51201											97993																	112221							105568																			172065						79108							73719	69696		1444601	54113	249750																											
2,4,6-trihydroxybenzoate	118543	93558	91639	168321	90419	1024266	1012009	12569982	1848286	1086006	403957	38928070	141393	410925	668825	70081	455585	158205	409662	1175396	250256	775115	985833	10033430	329168	232950	7697225	233019	619199	5358391	345085	241543	71628	132093	1263188	333264	469292	171739	153135	213035	595312	1469398	381616	250484	5375572	283983	4535792	353929	31425352	252580	215682	269124	599376	350620	291538	344979	112661	703157	277986	85087	1104338	2909808	7780066	159571	1532483	1877700	596541	165704	284629	183392	427384	345855	2023649	283865	258727	7247755	212069	26361715	325018	720068	186072	200134	362829	607591	315629	218852	278991	742035	1495730	305576	309822	386439	103079	561550	4774233	2770612	2057066	12873931	2116068	427513	1788583	1484313	514750	383279	271350	2278227	796422	1766849	212014	2034344	300415	418330	2766910	104482	2314414	1427165	799000	410345	3752204	610809	550568	780400	176569	820334	2070898	334443	1877516	99997	3585183	839760	11211148	424603	291827	8017890	186307	10821729	888117	1728293	180622	1141123	1300488	3501552	2037825	110836	896027	2158865	129478	16561832	213239	918705	34386977	2289938	241823	367632	338828	2339826	369532	294891	631669	2485643	4996995	295660	473339	1011377	2986981	674423	836676	24733972	1283656	7956140	5956324	478196	303278	1483266	857685	52871	740482
equol							44782		97000										89539		127616				1964353	16650511											156307	43403	147321				127764	265195				61114		189809		153378	214224	1087523				240754	271705				43730						69498	69169	64366	434450		285793	289542					88600									148315						154686							256838	524038	356500		350180			95015	158430			107978		85817						255226	119283	76251837	10949287					141236						468288			123166945	237514	211052													156589							6871036												548142	59825	351077	536832		116684
hexanoylglutamine					84296		25731																												363444															68378															138727															55943	97777						68005	95763							93868									79067		63304																699817								216870						320651												32868						28451	76046									173198			99410										
dihomo-linolenate (20:3n3 or n6)	1950865	70921072	11988319	8039596	18321811	42733364	13468543	27340967	3774979	16164007	14563571	9530699	51329240	5497565	5791648	4218911	1180445	16124881	58068646	52694433	66440062	34413886	57821031	27066176	41937101	381691	11791292	29031848	45373535	58349393	4004845	5926356	2047495	10827115	32549318	13928447	119335210	120128689	149727491	24721994	75094240	26638580	61712073	54538740	35055093	27162222	15424583	34592015	19068269	28591351	10513760	253398288	59060179	28238359	5077345	6775777	6811845	75905353	133641527	3776752	52041339	84868737	58827141	64129215	13556952	107278234	324649143	84919516	29556387	13494163	81184980	316696716	2872019	179246786	20613766	27979115	13787419	225537170	72447951	43693671	34833236	38637524	5349550	96769959	11782041	16418101	188132250	133810392	33295133	49655697	57184011	54580719	73600369	76916137	31224280	52278115	19132345	10411609	31708384	449485073	115695437	163082452	265128218	434469931	1459688	16791938	7450183	34871155	88096783	20023396	25313198	10709724	32367729	127741779	61843170	39909112	6833499	17588315	11992066	17396124	122142024	130646382	13991353	5069251	17494380	15294654	121483361	473469710	30926099	46089498	49197717	22427697	104074983	1122262	211852390	28839150	643629	14141224	69299479	20558546	7968408	28834981	17146571	48448183	64430519	5967420	1353498	55049584	307369324	76388104	90486905	123878519	23006173	84654479	111680425	12400656	33358768	144058685	85780441	50168855	17832173	42148887	35659838	25409130	21061304	466338640	133398543	116311078	10127553	26020062	86491860	37573605	53693135	14267908	17344966	199075037	108974783
4-vinylphenol sulfate																																			37318																												62481													51358		93918																				144368																		33138																																																													
4-ethylphenylsulfate				25048				36155		52578			52970	100162		99067	65749		347466					50684	2887974	1668297	2673496								91394									67165										94194				450958	169576												57005					20928				58935	78681	207087	55422	237052						95746	145785			1782877	53741			81288				6063073							20654		91447											68422	3898511	1838248		377557	173155			757574	28433					57622		14420833	33253					594253								35926				23368							85727		31615		32072			57838		76800					
thymol sulfate																																																														50755	114853																																96408								81525	46467		530555																		131147												32430										594949		39448																					31617						113552		
pyrraline	29717		75839	542311	109066	71389	263695	182056	773662	3076979	317345	4102525	608921	98135	3715263	133087	6263960	1322187	1098530	2317900	1203235		167363	339025	93198	325984	3370580	362678	2719657	1404215	163077	251907	494311	198248	13641809	7708070	473185	51162	257436	142472	679896	1506026	2101478	205991	5242415	204090	7762778	888077	472939	79372		4258236	303101	1274020	40819	255530	122511	390647	310126	377116	3588969	4933666	2371661	2375744	675074	180857	483499	268140	730788	251104	382590	3135286	4699179	1090240	1546668	16723250	550585	6335932		1813502	1799941	327127	370436	456417	232637	1287178	7958047	27246145	7454440	941901	111217	688142	391259	301164	219640	703680	560261	7106548	7164847	706534	1958128	4332074	3495175	10650071	196274	5224292	107670	58315	72264	4238136	1198701	238827	6894732	186052	5966564	19988459	3448176	419734	150574	264932	238719	235133	11141856	325280	3372562	1375691	3572770	279372	1727026	255771	3554881	12945270	1945986	6424800	3071287	1195643	5813866	4546416	485205	776934	936483	10661017	33674093	729941	5344372	533306	249359	2730187	1998378	4061004	15577653	1403550	8266214	526016	357878	417129		273984	3338002	742655	1095016	274685	187052	1544141	566542	162715	521339	172470	39964680	2781035	755184	999421	149361	242113	15429196	1148867	246645
1-oleoyl-GPI (18:1)				1512981			638774	592516	804880	332923	485172	4240226		418556	1797590		250154	91765	355691	345156		1302848	8081687	250069			263205		481608	63264							298439		174216		311955				542158	247396	595469	142005	1659510			3788964	2549331					483298		9294542	107641	4967277	2387828		598916				138700	53038	2738830	844329	5856677	190893	223155	398780	1282835	895936	105957	126222	66293		55120					310183	708642		154986	182651	702510		1439394	1856085	206429	598805	250779	711905	34026446	632682	1316576			137559	196037	688049		1186484	141351		2729636		11027715	2264319	266671	60509	917420	537112	2016768			917254	132748	458794	507847	186677	137280	1946742	40702670	305135	319326	685578		156283		714800	749559	1143964	111110	449529	808639	215516	651165	1346331	149786	6435446	4275205	1606877	1585675	74637	397836	273337			345246	784869	20412155	2119850	240734	145824		2035818	334373	382694	243179	1007934	208052	721366	165539	54326			42776		95884
1-linoleoyl-GPI (18:2)*				1216884				453944	346258			2625004		226753	887808		154149			157012		1353758	6910489	345919			136019		122490	77782							307392		100260						484767		504053	102866	806086			4049837	571046							11584567		5001682	1608584		321135						2199562	565783	653937			209030	746173	267611	347765				69754						501947						797020	484326		108057			15604362	118442	666288					209638		575599			2818037		1172023	1368891	353904	105116	404210	208008	1090632			1087081		171450				706564	13835248		110557	248867		88799		234910	342680	813149	32073		238095	59135	237705	1698821		6537726	919160	636877	1263697		156212				126136		26625062	760932				325261	349796			222747		73167							
sucralose	652370192	363711467	32601143	203281301	104714712	84415999			93437640	4865772		857043	35797	665725571	4052343	4235369	11862519	3245937	14157487			11703571	12014611	6606668		980593		75370401	12131604	126949				35236	51798			100368	128350001	1796178			516747	196820454	1730863					4802460	550546022		913080	261514343	1282553	426127	86760129	463642068	835889	28802994	409440956			149231964	2833219	23371432		37526021	120331				359800			359273	114560777		11670465	1077908	1104045	5367812	286899285	243274109	310484215	344594986	287000928	197193931	71767671	4273055	903602	2586844	432828	83527977		155386		3802655		1711487		8907997	88472646	52650	4817377	1477603	3001951	608663	641089		77579449	364606	15794381	5131542	9599757			477645	46827		150881038	4495105	8356923	87368	52734		63765	22573602	2130759		4641115	522767	1209733		95393680			34963			155574839	15055755	10473756	80483084		12591248	108839648		3229668	13011951	287488959	15491302	747055	201228	708734		558284681	547995336	763019093	61702461		3828105	7242306	3847785	11884214	51340	56484	144951	157900796	37229738			143733449	63629	2144238		592831
2-hydroxyacetaminophen sulfate*									10105127															99504											390476																																																																																																875140					4024274															466812																	96717	362480								
cosmosiin (apigenin 7-O-glucoside)																																																															173942																																																																		1131954								44706									41635																															
syringic acid			33991			183909	2477587	185982	227428			768251	386527		366901		90355			1812355	203541			238200			1266460	248243	186401	260335		61150				1521765					141662	179139		162351	251249	449944			3487051		189479	188464		270760						273574		229552	605224		667326		1239695		268853	51471	201761	478021	822448			1764721		2943852	1994949		144755	75608		57616	237089			1720756	314604	260138				348126	212849	93668	251753	952628	224617		640587			332700		183693	1069355	181044	49964	142017	96056	97197	1472895			693543	70816	89305	3108795				166820	130948		168689	154590		195762	495013	4518259	107412		257102		148527		6638888			234873	238097		75224	268703	208577		454497	256579	2142175	382270	97701			161414	287899	239699			232395	391786				130421	1146494	392641	21183207	283368	8005409	206605	286232			237043		718087
vitexin (apigenin 8-C-glucoside)	66813		76600	193686	42002	349302	77502	203586	96092	1003797	61755	119045		42493	99387	115245	96636	179073	154660	486996				181037				40626	96199	610378	151559	125225							106072	72764	170004			107563	235663			211540			47779	222462	33717		325085			288313	327084	340652	127921	64894	42975	163835	182038	54047	257378	184804					212715	94444	121505	360127	97902	187294	192352	135422	83031	217735	53241	39929	66457					53841	90369	42502		79288		181995		299659	513960	31841	254975	378589	52095	55557	121711		36518			236056	64615	311713		51065				108651			116962		69476				57905		107599	131275	125955	292914	306365	613443	93218		37013		45486		62995			74295			66631	159416	28991		3915562	290346	33452		53683	265285	25537	286774	30419	164094	836676				61776	63559	40593		103418	56359	1054754		327661			69039	47391
resorcinol								164183																			382211			174222													192623															105882	66327		6110811								230604							93887		222793					387959																											149263				87799	383977	278234	398234																	247408																		361051								126278										165413	46780		1475305				
5alpha-pregnan-3beta,20alpha-diol disulfate	102917	225472	139317	234451	329530	166154	139695	55816	344769	458612	79808	342609	443974	292407		27049		206468	279122	452913	91005	691716	780904	146780	22863			46419	275883	320042	190656		97519	296039	520716	522318	223992	149750	136893	419753	54122	119543	240637	261768	429240		782002	341333	1382721			173815	490150	649748	228089			120353	173762		66148	425072	595678	259027		214847		189939		406313	211699	1267378	297611	999324	302829	655733	624281	1103238	552775	1311174	1375523	199957	178195	869778			72908	1879649	42151	118942	122633		352145	259146	39949	1112292	414600	25758	1773834	1179333	464344	932910	839665	694669		595217		21050	625164	430742	262954	104815	506533							258210	335718	51476	407071	155180	366447	491753	203909	1767551	1017929	683825	1177146	551997	652661	377384	600848	120969	41489	298370	478419	1145566				186385	206346	381080		1326728	837910	1279404	163749	589024	321549	244809	246811	171854	187329	247049	958103	178647		169615	331452	358105	319999	246751	215730	718748	568507	1318355	204980	262900	234434	127731	293102	71919	641179
glycocholenate sulfate*				212645			89579	44759	273547	475972	200290	12634366	203816	64393			214892	132397	2470505	462837	144866						56005		280596	343491			131791				1215908					168302	226403		137671	103553	100490	119074	657778			122920						126295	160404		273453	469096	905870		162217			138976		226716	175199	2173462	379564	1503193	294173	102994	83849	697696	107786	216239	220397	232555	340853	287037	155023					133447		99878	87660		493845	2899099	399435	75227	501018	333854	3342717	10066939	1923748	138842	77674	854320		57943	72987	65454	211754	121197	3404489	168213		175548		74890	179247	96273	69555	44508				1964383	188682	2795364	380505	145346	2720829	144316	72056	3790622	340306	180869	188735	104606	115507	171685			252241	299491	112213	986715		7169084	292518	3277679	222479	238330	248252			114473		93116	299830		250698			103352	192273			30001832	592688	627078	241110				224413		383831
taurocholenate sulfate*				45602					183018	1366742	169623	16759416	89807	81155			255783	774786	797057	3691726	30597	129447	277241						667387	742997			24573		437497	46734	217282					41170	106958	133207	153288	105336	240662	1345743	1080316			194916						328956	63376		89442	5978286	963503		74954			31150		227210	152396	1403506	2938646	1584443	348010	1368745	22538	3014384		107734	119463	375151	446852	602469	83650			851072	33659	303312		32078	28756		217833	1208456	1173462	83684	2059784	479066	11751103	9140627	961379	631550		3690668			248479	1559758	1712292		20904165	29416		71988		243171	306713	361056	78377	67323			50479	2580879	115965	2392936	201526	97884	27474254	773490	320731	14795389	889755	913839	840997	32201	55227	1270051	40873		323465	331635	185295	1837579		8859436	599582	9418552	154007	204339	3110052	50131	52666	62697		79119	2663879		311115			85508	456043	99653		44021292	5819002	501213	92747		14875	34546	57203		91415
androstenediol (3beta,17beta) disulfate (1)	104905	38561	73931	191287	370764		20627	44212		114391		25134	231494	356861		457737	58477					136574	195467	34803				69880	323479	58403				186839	130920	58017			33107	57296	194703	286034	54066										110049	165826	62720	109457	334776			585070		76665	55670	50874		163720		150466		42742				100876		132549	185152	261073	73597	311899	278994	788774	1091118	346210			396520	1075503	185723		297535		662760	320590	338488	241348				91516	126390	358657	36661	65280		106659						184986	98228							35460			130407	148055		284789	279821	62389	954792	949142	274452	133518		184398				548040	1008737	359678						218152		817835	726150	310687	258821	311966	88651	118579	175972	35000	475012	790583	255349	355562		291433	261495	190903	51780	127640	150355		131265	363488	140448	584377	245270	409444	67201		113021
pregnenediol disulfate (C21H34O8S2)*	461680	5198923	1999320	2845053	2311185	1220283	460575	452113	4959660	9672369		1504423	5253393	4406925		4402296	2297812	2113933	2770715	3088331	2984196	3819562	4809098	109100					4380138	7465822			1608224	4420982	4302678	4175371	4446725						3076097	6123935	295063	36223	4877746	1726488	7852386			4769326		44642	2694771	296726		1167767	1276350	240217	272769	5490280	7924039	258731		6150992		2977208		2949409	2173148	6177333	2045746	3908557	1574978	8085504	7358915	14336725	7146911	12836662	13654757	11257218	13162874	12867112	287093			29495104	52786	1600428	36348		144927		202161	15703863	2266922	262237	10292090	6712866	3394765	7983452	4865265	3928793		4264328			1426879	1175757	1329071	958547	2550806	102257				43178	55701	3105810	1712915	584525	4025924	492108	2191010	4632039	206723	20845640	20856227	23688841	21279075	10159790	3094532	6547558	4208578	2468575	2117168	91450	5408268	16563489	74531		169850	1147780	1674504	4020023		12384283	10614378	8926742	45841	8280235	6434523	3723715	4700268	2798506		10706872	14043391	210482		156998	3220183	4016727	4071628	3630572	4050433	4373001	2635886	7003695	105011		5039229	105667	3019440	621056	8869403
androstenediol (3beta,17beta) disulfate (2)	336014	303805	299349	1090137	890622	353796	241502	206462	144802	352777	345086	218551	664045	950152		1648934	379288		130107	59214	218271	724603	971527	298569	110891	83763		389667	404939	258617	211583		149540	468351	369702	227015	240602	484471	493512	1147016	552855	731956	228983	201563	152959		464208	69882	303095			83113	469247	350841	117468	667959	1402004	132696	233307	1880882	71343	207347	264169	297831		636717		891949	221591	210474	131046	158264	111660	561481	144740	369838	581452	1108830	353515	773142	766748	1714424	2166466	974758	137786	126956	931880	1578113	622265	67579	835501		1555509	1380485	421081	373994	162838	49300	183529	257855	273746	707815	143679	245557		352284		115793	159936		95613	897764	412439		81814		54949			184409	101379		422250	358525		1060901	903827	473381	1197868	1143746	441336	287439	153869	284583	165538	112744	72003	1049536	1485468	627261	179256	413871	206957		119154	424453		1784298	2075663	669214	483643	642255	277620	440305	603010	260267	1712399	1278563	724233	755053	93525	637088	1390145	833644	324323	464660	424549	128051	602371	1408351	557730	840813	429904	894508	381388	209926	674999
21-hydroxypregnenolone disulfate									28964	52283		250952																							66135												71426		43667														19495									369172						72016										49848	58951						172398	387525		40109			75699		37164			68733							145569												167854	337419	159872				98198			77104				72691	29555				81402					398373			73687																	139242	241955								
5alpha-pregnan-3beta,20beta-diol monosulfate (1)	219943	683915	136423	782390	227205		997953	200377		2561103			2126043	2070406	766652		2921031	188377	633974	683619	334013	2910534	5872146	354003	871327	541989	1081201	376625	555708	1579424					1447820		581266		1603775	525273	975680	943273	747785	592785	1355580	771675	602531	697969	760539			626607	85559	430647				485482	1293000		1414161	750338	1123125	655151		32857			185428		651927	2234797	1039570	3256857	1177582	879033		3278560	576840								872667	3786309	947138	224408	1176551	823475	1202948		796893	1609774	1973970	202668	5117061	3163694	1353702	3150916	1254845	2617596		1284993			1184897	1119269	1082587			1266815		522544	287673				173807	97890			253522	2162223	1589809	1616820	1575481	1022966	1541784		1305982	432466	736463	1016458		1208980	1198201	1814514	464015	81119	287108	126958	602725	265552		2196978	3616236	2605644	1675387	408978		179838		565720			3485012	1279640		1133890			774903		345490	2630306	2242966	4751570	4896030						2324796
5alpha-pregnan-3beta,20alpha-diol monosulfate (1)	266212	275163	280242	560137	635669	1428638	74754	53666		51901	28238		247378	357453		497430	247705	24415			64103	284872	156707		55130	51257		130584		37265	405411	326144	183298	200480		90310	84063	259537	161664	283498	26538		169727	152680		1144699	34096		43457	209415	411542		383661	193477	291940	154308	1049628		73377	447787				213464	89135	591535	195469	312944	205553	65630		70393					411315		274398	296836	352182	542783	548701	466089		157455	86118				103636	1236756	246166	356233	23396				281255	152459		62755			397880		311608		194538			229101		235883				243230	1550558		39695	42626	216737	162862		104546	88265	202977		161775		119309			224338			47860	277413			73344				190631	77130						21862	86862	61325	150554	1531509	553872		74368	18666	44699	810945	175768	66230	166395	105325			331210			186647	208815	31363	94429	94347
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)	220806	295999	76718	595187	364271	70339	202550	107072		326257	79911		315627	391984	90481	371084	274912	173708	163683		262414	779738	812289	99764	281512	235731				178555		197973		497480	497986	445284	363927	234474	236747	322781	386039	56254	685297	330609	552178		96395		350152			118408	441778	688996	243314			216890	454561	136033	159878		391568			185306		486405	563913	423354	383047	509034		525472	649176	202687	686298	750046	168642	376468	498237	658202	1364996	939763	184890	241839		615408		399748		56633	229157	751692	463126		257050	474662	497478	169034	105392	161197		364062			264361	236729	427831		249211	167679	258807	957143				109396	122967	371457	322017	77858	399915		212290	417694	215388	228941		286072	207874	450767	295652	199644	307056	235404			414375	516323		79244	34583	126501	243091	277302		458674	304838	394475	348245	284276	352130	319226	444942	314384	235962	393520	473606	153234		101783	402311	316039	302161	381952	382879	241678	177655	526353			312590	294971	695515	145016	994634
5alpha-pregnan-diol disulfate										42240			41632	47643						275667			751490		123385	55288	148486			200361											260485	100558		78695	79152	334410	67929		634164			131926						50377				407801	566096	123981								603030	586908	1159748	242466			179373										1467842	180714						353760	955053			1512707	1320417	572188	1031525	361842	272039		207841				216389	27734		96352													1546147	1688685	4450037	727573	200809	1641348		83086	214266		104055					133986		145977					1721312	1568464	1757404	444357								1618705						138832			358356	194783	620593	625847						258085
5alpha-androstan-3alpha,17beta-diol monosulfate (1)							28723	25427	57477				261421	78535			84369					184768	357270						61056												41384						167679	211076																															73339			57764		275588				259256							186972				170326	86642	18607	93177	157376			89352																				104681		851028						49273				94833	38339							108944			65389	210678	204878											59773						429004	143669	89476	128612						276827
5alpha-androstan-3beta,17alpha-diol monosulfate (1)	148727	175484	166351	185705	210307	142205								174870		222939	66853					85880									206672	110946	95976				86366	115567	86472	56584			118322							208874	175569		104567	145207	150572		243432		164095	180310	121077			99062		132604	88598	265051	128857	54910							160011		50146	41927		231369	280603	130603	43730	140828						108131		74324		82598									127582		130306					118231						78385	225860	50478		27922	125730	98485			172725						30973		105883				56667								185528					84536		50293	122881	43461	182141	129385	81630			79679	269714	85914		72225	63185							112699	36221	49883	43161
5alpha-androstan-3beta,17beta-diol monosulfate (1)	63926		27630	150863	93047								200118	373015		254848						215646	227557											41688										71049														23541								48108		59373									75432		63496	36472	29182	94855	136917																			35373							17504			136082											134001																140893							89185						49411		45808	81648			123546					167122	153169	45738	24665	54115		106607	145374			87382				
androstenediol (3alpha, 17alpha) monosulfate (2)										97172																	54961					22807									170539			82458	224995	387435				166558	87519		96510	401310									56891				45850		56382	63646	54909									68877						133921			70345			128476			67010							31308		43271	431409	55830	190757					108829		124782					323710										169667												243701		167649			67019			29880								85504								40330	26065			83248		55782		20656				
androstenediol (3beta,17beta) monosulfate (1)	821544	349437	289916	1204204	738473		245314	144723	284951	143224	77494	57327	3317612	5414845		3998808	215942	45870	228819		149755	2548522	2199946	410049					516600	475061	66849		182807	503116	260653	129999	181093		224041		294534	859696	314066	376122			518620		71069						78611	94747	213443	266573	626826	579277		145242	46401	182505		1560098		1445881		128542	141739		206055	517302	204622	273893	701193	473214	732065	455045	439966	1992964	2723046	920255	208030			1336988	304761		941228		3508920		274265	52001			79165	735239	316370	1059286	280110	233715		362949			167716			1618152	176295							392091	126680	65559	1474427	973893	161869	758330	140280	335135	357291	1535518	78220	667981	46823	348702	91981	91605	70307	150996	2596672	277079					102942	561594		265696	866679	375326	1440738	1447419	141055	778514	1491263	443275	277322	4329079	1411985	836865		57806	1988427	1740383	458997	679618	1153309	231760	2363123	4485041	762357	745016	1042757	1286875	285273	244985	1442792
5alpha-pregnan-3beta-ol,20-one sulfate	503336			480276	311832	280583				150664						456506		120532	93635			350395	256974							218934			431077	586916	109469		358631										227723	155463	175207			41773						215485	214190							69962				164450	145973				123624	73073	524902	262573		430605	376665	431194	237051	425128				80487		101739									165412	77752				218891		155864			423327	176721		422109								107592	91777	112925	239852		217765					151271		140424													182698			186204	294825						177799				248621				674563	188674	135100		152064			229527					372586		227232
syringaldehyde		101321			47231	224934	2054753	643190	262544	182500	891816	396970	312902	106025		125764	64722	113308	184510	660821	137123	31246	195995		63185	242359	133942	79281	131861	96243	97217		59845	117550	241670	2649180	96453		34475	76195		104805				117101	257213	126816	5537486	50628	121962	64490		132105						191582		63644	140861		235601	94318			199499		77272	80312				1290634	37528	1554868	173890						123663	89896		104259	137759	91604	89420		58971	124173	436130			764579	133455		129918		314979		85356		635809	230875			72243	33286	140845		50087	287996			957561	157504		90584	135218		52055		96648		77865	117790	3990146			40108		453224		7898610		34298		82657	87955		217404	307809	122842	73080	61916	241241	155084	138787	56518	51846	188447	79355	222047	83269		81679	202978	137010	96804	147384		477143		20293523	390227	7194303		71513	36775		60207		710290
vanillin	187350	92759	149119	294195	207225	145342	454846	416849	512379	196430	233727	242995	448838	439123	211032	110860	450659	272531	151781	189485	254786	125371	285956	167159	289721	413438	823015	148292	137949	123691	134133	139161	124648	127893	195574	232187	151142	381144	442311	182557	170332	262439	221549	137066	121719	170051	237070	165522	844262	96020	138587	455653	87779	191080	113872	315959	200751	244419	118546	346530	101941	101974	602819	146647	232072	159923	181436	207436	155449	237357	89697		364557	484218	119219	437061	137587	199451	128193		216199	240015	162781	130017	240329	339337	187342	186728	264350	409647	393619	90940	163333	518230	279363	182987	224949	291380	275619		277736	276125	311208	132623	122802	338363	308741	417270	108859	474245	399267	91327	457241	116127	207124	324775	90024	142791	203045	204746	93777	218939	226233	171978	246553	859177	153740	724475	190875	149078	259959	205697	133142	312000	136604	233474	230294	392418	115676	144797	162644	237777	533651	186820	229302	210689	335204	278652	435218	351912	354134	150285	196185	160784	416766	108187	104673	180672	145046	202942	215032	151606	98551	239498	337259	131905	138398	752505	214342	305689	136226	204086	161115	366161	162215	218131	229499
pregnenediol sulfate (C21H34O5S)*	1438855	2618887	1081059	2462720	791726	445147	978578	585243	2652291	3402415	136600	1385282	4123102	3811822		4587042	2995151	2251890	2707373	1908636	2446420	5197553	7281064	432738					2497729	4694312			2232571	3595002	3256501	2728265	3796933		148473		50967		1694871	1698709	444517		2002732	1121112	1872883			2328763			1050429	904628		979360	2789919	122311	938385	1936768	3633708	630469		3191435		2947627		2393049	2146002	3595195	1208763	3635557	1782528	2400773	2838061	6282681	1038002	3669007	4027158	6530930	8044784	5796163	1381787	43294		8813196	156215	2286637	124605	41154	2040357		232957	2394143	2742722	382212	5911444	4469029	2944143	4838974	3419414	3770445		3532296	41284		3649430	1078179	1460530	2329395	3421313	103591				29085	89797	3173234	2830741	1872382	4132618	1751802	1255895	1463141	125687	4233994	4819508	5727038	3558735	4826457	2039964	2147424	2338345	1609926	1076654	121506	5989816	5193250			151312	1581431	2155587	1696350		3237362	5311308	2890364	199732	5696522	2392909	3090431	3711756	2684958		10602091	11472277	1225663	101491	143013	4703852	4159069	3643088	4556461	6821738	5331714	3330740	6150557	99512		2340317	181932	5540663	1507467	7912984
gamma-CEHC		93502		443815	103150		491698	139128	217350	340177	274121	286407	899571	826444	309590	573107	593450	221124	268988	57195	176635	96341	119710	176586	94675	480459	236766	249479		126689			150069		332247		113801		206221		180931	215264	416862	137055	699107	197407		146170				168384	119067	315812	39649	739055	456786	500168	606408	411612	530444		281286	304205	204911		111131	182034	425076	59039		315932	144707	447267	237260	72412	650890	301681	105601	770075	963749	252783	1054753	1157534	132270	256853	257327	521190	1210786	940173	116144	95908		222605	255398	791797		100248	116119	216039	136870	182049	368406	218400	144931		187495	106799	331379	47594	127904		1037215	264008	170501	202215			32872	119896	106612	38655	216041	263395	359224	1590380	412495	137121	390169	748061	234944		317718	450503	174527	64673		1139849	244438	659193			153172	130412	174482	441658	137533	176311	115346	275065	288849	443591	333159	739374	264615	470490		72073	135497	195574	90120	195159	130730		242365	535663	580835	127548		358981	383438	406779	175004	374654	824436		129020
3-hydroxyhippurate										476791		95846																		86220					27935540						139168				61495																649154														162208																				568963		146604						147365	138710		957704	217281	103515					253892			4395701						356386		1702074						378091			161627	81432	216056	1656839								943748	92220			85707			242165				164737															89622						128849	115996
11-ketoetiocholanolone sulfate	33741	114549	109412	530535	56231		163117	337303			193220	62327	1363567	335469	456921	934106	1833511	652894								399143					142008		62371	156376	524018	1316962			883559	631935	997080	116034	899975	172577	466852	1799842	1447381	941228		185858				1165873		687946	81421	435218		610786					294009	97932			125636	227265	270156						588436		113860	1468520	1493817	1083443	1119509	2677426		785339		32446		2450216	592853	245824	336466			137203	485936		1369674				969342	1503491		1087290	52580		295078	981204	938390		760612	75739			251955				84671	80888	530405			61544	854546	405704	35822	30041	47743							899349	522016			599589	401809			638084		1308292			32079	880440	30612	373723	145203	551420		285210	1247818	403161		893347	130460	82813	893738			2798602			24832				278962	270986	1167812
16alpha-hydroxy DHEA 3-sulfate		84662		120187		38450	69056	64768	244394	87456	58858	81887	178864	102383		169502	113625	37583			54892	32449	111239	140087					72583		81585	36869		29334	63783	53974	72014			77899	236790	354845					294017		190217					95387			82463			206666		52582	81272	89932	41340	58407	43320	255930					94070			93529		228500		61874	142268	125337	175945		96897	189623	31167	317170	396319		142835		109145	175779	132161	281268	72667	31495		91171	29995		109306			97127							129935										76613	201495		367467	118811	268499	133544	102199	72393			47114				289257	209115	212252	47872	82447	148975			159114		246662	66666	183948	234162	241293	251384				150716	507714	155365	97201	137654	148256	43928	87509		82547		229772	147751	583118	212945	71350	31164	125072	136159		681978
pregnenolone sulfate	464318	1123119	652656	2031122	793042	489476	151827	405512	1196317	1679662		1341363	1744349	1295961		2290567	563889	660144	2018185	891175	1092654	1849412	1915935	102028					998471	2405618			1075030	1505579	1158651	1099018	1789995						807996	843506			1963702	496384	1865257			538727			784878	180093		666878	1079077		166888	850610	1609002			1345649		1916951		422872	615969	994983	797864	3063130	1351154	1331631	2182965	4327824	761031	2201543	2153974	3049493	3016144	3019559	480185			2898863		870039			445224			1139341	1396030	106447	2748413	2091856	1110441	1708908	1330626	3333116		2954411			1159703	836345	797351	993152	895274							847004	1410332	219372	1350160	177507	157036	490996		2576445	2314620	2024547	1888727	1039791	531211	817345	577503	444179	226509		3089902	2607383				294561	1009631	825288		1010329	2556840	2457225		1514864	1028841	1171246	918952	1005200		3819517	4369351				2100843	1471463	1355065	887341	1593524	2946359	1796320	2639929			841271		1857024	719931	5124374
secoisolariciresinol			27828					507447	389209								362394			350433	630964						277524								190887							165943					61996				86916	430247	26940385					689723			89825	393705	458127				55423				85385	151697	60028			205157	458098				97000										404499			1123075	5736273		88831	523888		32853			457302			177076	27931		61234	249979	199978		1755058			157412			86563		5228706	1263617					88675			38586	142898		53364	75806		366002		193535				882602	1974086							119600										743004	5432452	239798		606099	280578			940575	47413	80123	47773						45935
1-margaroyl-GPE (17:0)*	113088	314167	217786	1781328	236171	959943	2614198	1478989	477711	329929	1238262	3352097	287777	105577	1242075	87716	369736	908555	631931	1418151	340530	116985	269052	395119	256872		151981		278059	190638	188493	274762	65168	68570	3153973			781959	434050	353965	1282178		497435	505412	343665	630681	330311	229674		150281	400852	1003076		164872	505368	234088	806687	1173831	1822459	696111	136254	282203	3425978	1756869	1680730	9701051	951365	1879296	78952		142848	498520		121116		296574	93999	701408	3400387	270954	1008301	102343	146810	463552	359982	1354578	267452	333743	201179	1496802	968015	1790130	5386050	339692	151758	294789		131935	826359	792220	531348	716927	477224	339716	657594		1715256	1357815	1393343	231717	9248468			1457155		118231		1065499	452576	232686	707690	364297	408958	290174	643218	328489	670352	355828	331068	1036863	1574984	1028065	565978	860551	827888	288394		87513	797125	159249	442148	1239521	1567196	549643	711002	739588	415576	1907485	1264878	1038689	496059	656154	100031	463859	198854	106083	1445114	5035516	384247	114269	182966		144289		271054	1091627	1094030	159632	223894	797584			347703	112278	221917	25544869	224024
indole-3-carboxylate		49975	142493	4659444	711256	1180347	1022238	818009	161587		1102312	1772470	210227	4742644	2954138	4166501	1002439	1693327	2071712	258842		194456			1224431	287099		152187	867137	192409	115606		2676552	259748	70930	851777	836964	63879	130955	251015	351000	5441955	518288	7838525	885749	1541399	152439	1213252		214040	546835	1663945	831486	2061340		2246922	2843478	2104934	70240	4449626	2470977			4934200	1100586	1338066	461877	960238	807478				1838607	977718	618909	6557247	2913238		693960	4020555	3784602	5002518	1116030	1077037	5962065	7002627	5904032	1620997	1408226	113869	9540494	2642937	1515367	123655	63671	1678570	1959778		1264421		342811	2778466		136360	3794031	204317	1614156		367315	101149		1410438	1444587	743609	1247512	779257		104596		1756619		4381391	168758	680113	952247	1405057	792420	670676	6434702			317547	1761727					2720218	585337	1153851		1158658		2242590			1374472	670683	3634110	479127	5242907	1917061		1984338	2192248	354083	977603	3852597	1899021	332825		4461220	1969794		367752	390711					196198	1585762		2695817	1666643		1093292
13-HODE + 9-HODE	16098675		18823480	27125340	46668619		143914836	452452232	420425356	14550157	93819822	71250577	77308423	104386438	65778864	110360014	60057521	63090498	92894064			28011355	143906115	80798006		25358914	1280118996	154289597		54584486	29677143		12023949	150990785	66240246	24502033	97799673			36502039	39775778	100633574	22043236	20095262	19165826	43941242	117421908	74006720	55839157	45010608	10495359	478248041	171278062	72108415	30521139	72093464	22193821	44046750	21942833	38593263	9646836	131111023		31422699	103194584		118944218	15234245	108577897	240824316	173377239	126738506		69088172	41345828	52349451	15055016		15986850	101301313	111930203	85257066	27235497	237418272	54170038	36227807		40563170	92138603	60388095	27738267	10542713	85460810	38337770	60219139	46101340	44671510		47873618		749379119	39076808	182682390	53268844	12366746	68898618	15892365	42330160	4631266	77494869	14045027	15340075	26358023		380859747	125685356	60830883	56440463	66100262	75164438	48272028	42486122	41999301	36820115	43036060	59359118	35869245	40964766	74298224	80258773	329134127	26430093	21274456	45208344		53279639	492052517	169608257	67582413	59974009	11634404	193192242	116551623	154108685	110119203	20021600	17927357	117618420		55485066	40338952	17118358	30622420	73924241	56742826	15051720	13882016	26004076	65277948	81472770	142482663		27933618	476843030	294718665	123383658	7801258	116881903	33829305	34676051	29817288	30161560	35594857	40224078	20470677	49287493	
tribuloside								8199722																16281836			3995681			3790050												6950173					5143153		4994259				420655		575179							883302				1471950					658508									5666906																			206022								2009070			379816			2510815			469824		63712	13726353						5044681				662333							27471104		76851				321559	3586433																2571124	146610			598946				248157		2611233					6199704			
coumestrol																																					60930																203108	53534									594436		259012							74982																													996650		56743	34006																			971633														38413		102258																						451223										71067		41632	35273			
apiin									368241																												692901																																						46093			40130										310166									85468					32768																																																																											
dihydrodaidzein				116033	87892						64671	355209		1727678		542081		1501612	1760342			1057079	235907		5186403	126347	29324149	18032947	26110384	22552472		419779				260238				57321		1936054	2017429	1428705	553536					75757	169519		607889	511079	4635823			14797315	3244671	31635	440810						673708		1051575		956861			168810						1780299	3497698	686986	129535		226490		2288725				5489246			12917254	5988979								90657	34622					352217				149949	803089	866752					10768371	232093	748239	277659	1937460	2330908	11211354	269219	931132	284487	7886673	96604875					2266918		23293420	204922					3896851	116845	666851	2054254				79426		34571	53307	250558			664025		137167	2313843	2132892	3117217			31598			308107	3638397	6308635	5121322	287697				
(12 or 13)-methylmyristate (a15:0 or i15:0)	166334864	479831841	213340729	460114223	282742510	400585479	351492086	740565471	113050135	34548791	621630852.9	177267774.6	174201485	82498668	221499511	129846746	319587787	196369930	244819084	174784626	361657746	352704845	344906740	232952024	182835684	106312097	55799378	175549669	155327950.8	131668052	509513892	162175166	271156460	233078787	214145029	93336505	535321287	381495917	234546455	134582512	274540114	357578789	233601251	321302640	45225393	325617431	58737572	69392396	76623644	507602975	411158414	326539546	245269216	139725237	498769942	587630889	693327782	265650590	674382516	522897019	152935254	311833320.2	328224048	1122317875	900671417	1599364288	1094555035	2433527096	270495098	108698464	306589300	175528419	25800865.2	112185209	58302037	85640546	115780255	226889666	477131091	293440754	235894957	181096896	70614924	205586953	350456667	454184178	145566453	252709693	117628505	115616225	312771592	1418103091	688027332	316255611	58238398	128768763	125392481.9	919610	300428145	135651657	215981821.8	564161933	638261554	576073150	203241786	68997011	345402562	538447228	417124579	108182599	221837068	132430111	16675913	639010947	69873132	75777148	32414182	385182292	752253107	101039431	221386834	498654881	510457943	332991850	201726150	93367968.3	102482688	266693478	39330988	111424790	45712068	444123896	121400449	40459204.3	153185913	55372008	31175430.2	41537300	305273414	52268959	91872296	820483217.7	402661499.3	98630136	226533454	149897856	142639042	298089813	885114126	114098323	109350219	169256074	23211814	246051090	194425238	169881545	694786243	1045500385	726818552.7	140827890	116046406.8	149774872	231575766	95768779	134845954	643608291.6	398305151.1	57197799	60907915	125897949	83077729.4	108202523	197335905	117790048	124907500	617084941	248516749
(16 or 17)-methylstearate (a19:0 or i19:0)	535190	3072138	1368291	1990810	908601	2551004	3284726	8175650	515630	198856	2820439	512562	1069953	777634	1231961	470334	725920	808016	851562	5484137	8987070	1503249	5062308	440534		357824	129729			527774	1602351	1510184	457822	966242	1560573	1024338	4559054	42692052	3111638	1394819	919940	848159	1817446	12420793	2308516	8935420	7298148	341950	867436	3350601	4517466	57433718	2071508	1981993	9062050	13085915	22746049	7930027	13616597	7588822	1615594	9409197	2011759	9272398	10475047	151009812	6384576	36432753	2679390	4014839	2765654	17985396	199096	2234541	1187310	951809	578070	4451918	7437710	954845	1987551	2046436	351693	3583495	8440950	12419633	5061106	2337573	852256	1448672	1225455	5251810	22685301	1837302	6456650	3192062	463086	484855	1709557	37583950	3654801	14882458	27707192	12415698	2250866	1162085	3175808	33609479	6232342	1600070	6455915	1585767	2591721	14732249	6936961	2653070	1223708	3046198	6408968	580371	9756942	29205360	4769510	13320098	470954	228341	2723617	3443567	1509367	2841077	2476281	2074353	8040145	624174	13096219	2353072		558686	4018926	1153027	1895377	1686279	5702406	821228	7644827	5486527	1545842	4874173	25102152	13340247	5295755	3299278	1398712	7230505	5047738	2254339	4514386	10187465	20715996	5286012	495933	12164631	2052067	979189	7264004	8560517	3871621	462064	1245555	1686981	829269	1665563	2919257	1208421	1595173	48678488	2508547
isoursodeoxycholate	1705375	8939102	2188999	3104013	4858363	1836709	7351283	1438896	27842446	44196541	867459	4278749	5524875	2159081	845026	2659266	1851253	7177683	68808253	2255398	36369207	6047583	18517606	9670783	4552914	996854	110800711	5923164	40745209	11739089	1022259	1585683	1241267	2747730	6552810	2420236	34983765	2067466	7742662	10530072	9813644	4609586	41450013	8037563	12165027	2863597	2810873	7633786	18542801	2687168	843296	4009513	2775778	2899237	1468536	1335274	685177	6322553	3115233	2773497	6224065	84827658	48516455	7019211	3168626	519190	2383452	1940774	59751664	5211132	9978766	93955614	48247162	174853973	93278520	49216205	6125888	48585090	3017621	4931673	6414408	6545686	55839993	88006859	566559	7040196	36513533	125486706	31299392	4461446	4049471	3861718	4360225	5969958	25503380	67868024	52026802	6351437	25058159	2082472	1521147	2050331	150873405	75458768	1308089	86476164	1875134	72981120	1191668	26691287	4065150	2968212	8870102	8936591	110524257	87162533	59794840	4227699	3026376	29131337	9783545	2154421	1615767	696140	13375209	40747671	45649394	691470	158910131	91932047	183404970	38553687	46808445	11328515	124047087	46697545	13072760	38039335	32233379	103066330	33210588	566889	1734159	2499547	34701772	3652464	2724260	11611125	18618872	82159947	27197193	3377978	47741828	5138244	3470967	35496199	4683482	3376128	4991835	10430065	46873775	32699494	15120804	23926878	35755920	9699458	3188976	6161139	17255081	13517127	69336619	21500744	2026178	13229657	36948231	1345659	98194685
sulfate*	1129801	585009	1418285	3166560	3164678	1673723	4989539	5683368	3334643	2170977	8003578	10467121	1583575	3059311	3863455	3213561	7105662	1659306	1233308	2125372	2189924	2586627	2190520	1022846	4116850	2928120	4175439	12057941	30504716	4217939	2077599	2056966	2771148	679390	15193882	2387247	330437	935857	2036182	2523602	10815139	5902072	657767	3401756	8805170	3420397	2955304	2640932	5240693	1005350	1435047	2069354	2141340	1641344	1330126	3683443	1219783	1979003	2531852	2285183	3322677	5253451	4589813	2351313	7812556	3406242	3394689	4086324	2114160	888657	628043	955931	952984	949915	893201	28184335	1989412	3802002	502884	2178207	2440117	894963	1850549	3380323	2544775	6656554	3568983	4463897	3509339	5462187	2058639	2047423	9369625	2452509	9421991	6317127	1962355	968708	4823131	2872518	3385493	664748	1592977	4176961	1262984	4386748	4675901	872676	2687463	949710	1515784	1360296	6596956	589208	1208092	7222896	823735	939548	999327	1081652	3023947	3974923	3006087	4082839	3229840	4346592	11415021	1328883	2943236	2418594	771889	1632953	7510008	5097424	2091412	11005981	1577847	8681450	1862577	1825322	2074087	3787010	21207222	1210990	5413951	8154154	3681554	8044376	3173522	5326487	35319920	3330866	3255309	749972	1551912	595842	1091677	2339443	632598	1341483	10534352	165506844	1825264	5361046	1813190	15743335	3681380	4657275	2527752	2408083	2376834	584779	1511208	1187976	2661212	2682811	1079398
N-methylhydantoin		97422						126039	1428527	207044		2693305		280181	1465874	227983	183467	136878									245865	483609		195988			878045		6173533				402622		1558786	90842		438871	2007602	125628	986772	143092	359048							228524	122638				372880		778253		299615	470445	457442		246212				269240	611105	653065		136889			255570	505280		69277	80936	179345	244837	139072	3641781	1701166	530840		119974	71571	227065	5072671	1347906			2695536				790056	5639581	267647	2299561	184667	180176	115027	91522	297877	522357	900499			1385008					93270	2980389		5419433		692624		87037	1482773	1484008	169593			722329		138606	247470		172429				3510216	181312		237517		11280958	246946		818055		11425325	176866	323618		92507	134135			1729423		347112	85002	199892	84213	880168	1419449	717919			120115				136820	
L-urobilin	10457408	4536168	5242958	47520415	72214540	4170057	9453194	8452076			5648830	269054	20773857	81176432	39044281	202584159	99464993				2268896	3758748	5232897	48077	34167020	49146629	11857114				143482071	6375974	104954	89842153	964880	10483376	2116840	6170431	8606040	37178144	4309685	3778641	8861152	6916933	1684106	84908276	14852775	8503124	16224701	45040762	118062121	814024	33503674	19069374	16723543	48657678	86648389	2469220	18589569	118618845	10653930	352230		3614368	90366168	9630636	93613335	49704730	94169860	763262			74400	3552785	2846539		55491352	1782768	7592316	25305935	21496857	27789608	28966054		36689695	135574745	328620				8647077	211191532	67285331	41132108	1144173	1963320	56464	130977	159649212				251346	977115	37506484	187437	111146142	1841009	43934899	347880	7278089	38147714	412202	49372461	10041755	13435812	13634201	37921322	120352671	26444041	18292006	9971072	76077193	52606060		326569	358522	55597	1619895	1185919	2121332	99908106	2096582	20019787	1125219		45510875	76822394	113073447	33948694		51353002	175149		1402024	32605002	111863983	36899	2164582		408180	567465		6693812	11941985	4356996	41180256	36876116	3814471	5828134	9401518	13082741	127554322	128186737	16935072	32802310	11937047			704695	95138	60038748	202682	109605554		14996313	
deoxythymidine diphosphate-rhamnose												584788																																																																																																																																																																					
rosmarinate												55817	32509	24392				102194						87271		83287	157205			97785	40973					52750	3154259		63668						40354			58346			40783	491622	52054										91811		82281		121469		51295							59070				33765	32183	34932							96706	34589	162067				201100						62827	103095		110205									49377					44775						134259	228233	151315	27459				251527												77940		16046	42513									39467							113473		103985	10118706			199994	27979	59334			63846			43788	
glycyrrhetinate					3721739		4717927	1964924	9353341			5089590									23783449			1354757					2950451	941782													3658375						4111319		17499559	1896057																	8178006		218161							5047813	6321317																		2050702	197790		6063716		1050719					748445							2894510				3803521	1702353				1125704			1489777		2329446	6017178	1448596	2643280									18164877				4469971						2477068		293028								9409533				12373653										21427665			
inositol trisphosphate							190151																																			129733				711734																																																																																																					29382																														
eriodictyol						94015			470918	1605843	195976								229909								182935		174750	1444255							104393	162721					404385		21692559	88898	11950722		8092493	2046367	60599			76916		459596	29927	226456				404273	296851	42732	62358	688682	132102		218697		130521	45372	3772610	560826	372624	7907262	627397	40210617	922615	188961			53046		327263	34520	956883	11016362	1212278			553323	258557		159805	14926150	696792	54382442	1084586	143774	1304146	259234	907017	3628101	385368	1627946		47855					6460959		4032537	2501858	240149			227633	116798	293533	79658		173538		2162223		11668921		5032272	500272	222143	777969		450523	3709191		70427	332667	302071			203266	309104	1054030		625713		328404	203815704	3033586	352787			745194		183886		733542	4041013	529824	4569701		1297904		110930	206394	60367	148068	142421	248877			100233		
glycoursodeoxycholate		343745		569732		284622	610168	265080	694602	1382889	429765	3071435	465187	290756	130810	367740		428930	7262078		22329034	271723	377740	111141	777044	275987	1783306	258786	1745149	1152426				162885	641229	450345	522492	370000	563958	6753344	2378548	4307166	422738	268881	348814	1192107	524867	649194	4156999			533510	264853	1042129	227984			349093	759376		671181	4387743	3471701	603720	142964	512536		608515	497546	1254814	2230210	3754371	338900	2771065	1001106	1473328	2189337	3035471	92192	1062432	902235	1374137	885463	1158652	198306	357194		756065		682269	1266317	285819	137128	1130274	6531780	1555203	8941111	115279	1484096	154198	154165	95342	3483297	393288	1164979	1124572	298982	717124	300274	436746	15631186	859168	7929313		2719802	1570783	873253	486685	674695	1546846	393339	1129385		371300	557166	1101735	1155526		2014941	1996931	1057574	285854	1001288	6122684	997934	1475829	648505	863075	961321	459273	221852			573227	8118040	691258	346748	51544193	631075	48840550	278070	424925	709478	1009860	749384	2042734			360490	1101748	1590844	3893177	3044807	2129727	8006500	478802	506459	2792645	8063916	1010990	9482746	475405	457117	4761567	1017290	509615	9656340
tauroursodeoxycholate				63769		32480			72341	1116010		4100444	77604		297707			169856	1008555	57715	1466198	106726	213691	74042	57467		424878	34461	541493	204857					253752	30598		37298	388935	365893		246378	606049	145980		148047	100172	944427	3575857			123793						238451	65209		95204	5825608	1343371	174351						683117	928839	2208882	6756665	1188035	664888	1110009	127776	1899689		59134	74383	1468277	2194976	1074970				258408	571729	280234	136571	56794		136490	9873605	421222	5730389	487485	1079123	64744	199236		2151486	1167110	75262	1633834		153800	93839	370864	13076473	53943	5915323		2469457	1159767	1014843	153089	227180	1569832	66600	53888			35366	1319894	916593		742161	183823	21010197	2338613	926435	21458837	651255	950339	5629936	143438	138769	978035	196741		83522	352139	1490127	143962		17218612	730245	76355864	218883		1440258	60778	41117	262864			909680	69948	808120	715982	415615	271725	3392020	138913	237174	8739657	11643669	549971	3474726			408065	74180		468656
ursocholate	1541823	4432992	2025246	1849722	1005099	1326547	18136460	14494910	123581885	248071786	793262	124811974	31286277	7484017	601504	4632646	599303	2533990	27378807	969662	84026833	6151340	5783113	360282735	15693934	2646366	424959527	4278434	176640261	66369569	1301666	976660	1383472	6438266	17539609	1753198	35035407	1300704	28617154	28270056	28239737	11178433	183065403	16622497	13595332	512962	1557112	18120887	7949252	3509859	720353	6149958	8755175	16834122	1485173	2196441	963433	3056400	2040030	1332730	3966188	328575376	96448435	12319334	1059830	1676162	1349383	2968232	86334213	40002428	19884081	1276995334	179656529	205326124	33117926	133648380	23131538	119462433	4547629	9789477	12896373	11092149	48666255	104426998	559089	6925114	42449023	1395764244	80525875	11780279	17919049	5319996	3485658	23985628	70828268	200241493	178971297	855944008	156575079	21303053	3916595	3193728	1090353379	123574558	979713	158954383	887378	102796781	1208846	70624826	3786962	2754467	12191743	5702615	106280464	93510304	103963154	2212185	999299	208694505	6756244	3805718	1594154	1298158	98795416	341785502	200515377	1319372	692405819	1536802668	1449822873	46225040	559310238	11154072	372071037	173340387	9572713	168338501	97785623	710988363	164222943	632741	4096733	8579280	153217677	710065	1307287	21210633	108415118	494346102	107773715	18545122	572684931	17049838	6496998	219587367	2424213	2355098	6237766	12354381	158040400	219557557	25909150	22459768	36617581	4406507	2926587	2803012	27125584	18798680	270961754	111133590	7624109	11546363	612866656	9347591	899915307
3-(4-hydroxyphenyl)propionate	1120729	3170599	6234375	316121	382191	2820087		277319	17876340	77979390	608851	6559879	276514	206830	4606642		2031946	9094362	12294791	7726330	6903363	1889991	1465569	7377140	3266005	13546318	40536527	2460051	9318629	21831818	601761	184261	581509	69672	12410649	12277207	8241467	567344	7380406				5323357	27407682	19200376	48340791	43128359	26774413	56752527	15609280		10381733	544001	1818321	9377033	268612		33644439	12980197	889657	33088384	28146316	91375248		1112723		3603872	146985	12700812	528137	255937	5444935	10610838	9619431	4305036	38411313	15467672	10551914	8610105		183970	693708		553329	44380663	9406081	3058115	10560105	22472650	13639233	1224554	136928			12618926	17731436	3733646	13800172	46053788	8614130	13287216	21829752	6643950	9003032		7848767		112157843	28681998	13231724	26625031	6606764	19998128	3388746	582756	19977339	760569	348878		23761544	21599692	8508495	103967845	19891325	1418114	8316982	33107093	5509143	65743822	22583198	11712964	632595	2605907	8166446	770267	11751473	1365016	40702743	6083983	19575157	15668092	54874669	20778404	6299526	21454260	26483432	7799941		28623279	14506644	73342426	1341453	13210401	10897497	11805638	22108390	1753386	450451	7023883	51233899	116293908	13925280		1154728	325105	454568	282891	11457422	37103268	62813501	17958284	12200088	15682990	21143069	52800737	8596784	4231311
(14 or 15)-methylpalmitate (a17:0 or i17:0)	37151569	104470114	66580517	141038118	79373699	84435389	42947452	268406909	9819633	8515119	79981256	13010017	38737215	19391246	41014435	15458687	60991432	24446879	15696359	51408544	140306814	94693969	63932635	28423322	31610556	10776350	3422485	44564301	9140394	24696836	122376431	27470097	36626675	56653862	30049181	16787506	149526765	332234296	30632875	35607719	43696505	23427456	41895409	91615634	22834769	54213681	22084653	11975435	8999459	206190112	183257141	404527722	62017210	41753901	194074717	129560167	244860496	180435109	278990670	107071254	50647147	66135534	26942253	336567741	282434266	615736743	195637543	1200443489	86904392	68839352	125719151	405204790	2339996	34892413	28314474	27167048	32836135	83783083	161358460	50977888	47766300	54021157	11311726	79329333	48085986	117891137	30093868	21952451	23273298	13014846	34806574	527153788	241694881	62588226	36499397	69303188	10393494	4741957	59349053	441038591	50539105	306929318	433141347	176957744	42588559	16818428	73599758	179756366	108847788	34772652	106759333	34360057	13425781	361458797	87448682	52708533	40479052	99829830	351720191	17136380	77038985	435364382	116305086	115575182	15920992	7462083	37237758	46887493	45991096	59739665	59139720	77295885	21233201	4895366	147152303	38086869	1085761	11261982	91200024	20513061	6599615	75871080	50050462	6115701	36576430	27697658	31297153	64665154	140963626	211335156	62564558	36453307	33774087	125087856	73331698	57766752	164511602	239677623	425180959	65033756	9624548	85312569	79895673	9078286	67616883	93980630	86043129	23405094	9809829	30146266	9030966	33911429	49397101	17990530	35073369	268437952	45682543
emodin																																										101638																	47768						142159	151408	37790429																																																																																																														
pantethine															44004																																284524		270837																								80655																						36791		193938	62772			173499					82955		210688					27819			41050															183727			71339											52559			351043	886258				35285								215623							25919				70236			45991		
enterolactone	7308243	6655169	13072927	4422119	48308873	590153	11445270	39216895	562176	544332	13094968		16496632	14957870	10642935	14992569	38546268	2475331	1945598	343182	83965192	7944433	457066597	7902242	16311874	31824832	9465214	21231722	126886	25096810	40517163	41802699	3798327	25265264	10045391	3264729	3282594	12415407	13379729	32590078	7354136	49752454	9654908	13509448	1598556	6874049	2956149	2614347	1177649	7489848	41863716	31700118	237265274	136320459	17263017	15388171	17897235	140964932	16838109	12070885	19724186	31323559	8133884	461473130	155480122	1719789	49269629	12652990	38354135	5936043	3162349	930280	910925	9760263	1397359	875085	127548776	1974353	366206	13678341	12980768	9756557	6696152	31518220	12268459	6615095	545530	58771	724801	8717244	55404189	7584117	11165821	92541706	1151712	13363021	268755	130683	34782430	3396936	334202	4832850	3568530	6970564	7457341	8977773	19871760	12263306	16116012	41749460	30433023	21819274	1168569	12331255	1713006	7388306	11249859	9310882	22214121	31627854	207736005	86563719	36407057	15784400	43183	3384137	2981227	3803726	3588660	4790126	5483131	436982	1686567	2038824	1405802	1268631	947556	4792030	5451731	2337657	140909	37288723	5677920	11570967	26668090	20699701	24172952	109117	835839	582427	1766757	7946459	669813	22543893	3641459	2063958	12237077	12112783	2543748	36926414	32124265	57802140	30558354	62052953	12506896	60314563	20355580	3843669	425718	10911088	62594028	15171792	10590958	26973659	11612337	485068	7207525
enterodiol	68194	305654		474429	712607	179023	195080	581032	8428119	1334720	437293	41546	1883722	1223965	1256562	1243065	21257340	701554	2277286		1985451	1570050	22301298	9764545	1607438	3128859	3422050	20146599	44539022	130108134	291954	331686	287653		3155760	7646229	5996834				1654319	554557	1644508	131807	1392934	2042557	2191921	4736990	969349		127403	41065149	8502967	3950649	185776			1765112			1893387	36166318	16319973	1745981	1657217	197064	928545		3107321	1756759	1245627	12570146	10326856	3355763	2959692	3875362	1533214	3839389	1483801	1071681	1114048	639031	942997	2732515	63885	175736	1432834	629309	356802	1522096	5777007	148308	224469	15606422	44718096	2443771	418473		227757	1810420	655437	10095200	9411374	2764689	319016	10313518		3043537	4900070	56975448	4432164	26506530	14060881		6186365	3130138	2682690	120993	162038	2035220	15626741	922712			3162043	2843148	527565	650065	75194245	12113101	8635486		1431608	156100	347443	1445198		9250816	12715079	9577005	2264001	29189184	44663327	31799318	12995998	8232436	1151434	314392	1479999	2104408	1165446	1658596	16682568	47332037	1227116	1988749			842910	25778506	121906674	3863416		820415	5318609	315883	119529		2559273	4829379	5079103	124317	567014	40303	1274529	291029	1661216
secoisolariciresinol diglucoside								288712									65081				2327560																															4756494	8088279					618274			27920	880201	658047														245026														825220			284479	5382976															1801909	165533										2139050	202202																				103001	292344																		833324	124575		127988													
2-oxindole-3-acetate	2056450	2249054	3560174	24642088	6062655	2945223	9640797	20693660	9476655	2513289	20569570	14284287	4632603	22054243	11670174	36595091	43875639	5136367	22744586	3205621	2204030	10959568	2689556	9797608	9662129	10846392	19941491	2802108	7030267	11626826	6202489	1232894	37327635	3984037	26428285	6879883	4715188	1406712	2501584	411534	6496626	33337589	4307833	66168422	8446360	14614047	39611312	31117745	9376557	2542745	934059	12594243	6143679	20240911	15326675	16713820	18696118	16884823	2882603	15325081	17989462	8418631	6374446	29625606	11379870	5716558	8386801	7636266	9591228	2764624	19738465	2445511	14654752	5867352	6821177	45465821	42530596	5890126	8153445	32250203	31589213	24281837	7882078	6406029	32844122	36633076	26420314	4375041	10699741	4768024	65692346	11126789	8950357	10198378	3538623	31671731	11805346	661175	13527756	6089939	2357115	21618017	1273698	3480082	24391321	11057995	17587540	3961371	5899621	5233094	2151728	8882682	11629742	337327	30593073	16920356	16724402	9562338	16591719	17667549	12326255	30919803	6916277	35687054	3758766	8977999	8429746	10660914	61918213	5418061	3128545	4845499	9740040	4499456	1230081	410692	1455913	20367875	3594147	40528897	4503829	43440211	16759717	51379318	5789119	3875640	10310412	2788928	10226163	3401724	44867068	40102012	874378	18738863	12276535	6783829	2119204	15557797	2668412	6848340	6477708	9064860	12236930	8321789	8418869	4769662	5182548	3422113	7654725	4447670	4569924	14199397	8070231	11736892	18565236	3693961	9542785
N-oleoyltaurine						5782461			97433	143816		390099							1045595	442304		3994614	13192166	1257832	1009350		284620	2169933	1828019	4283726					311403			9130605	6357974				5456127	5928502	613577			1582527				5001180						2461207				4314317	235574	11113501						1183804	3810813	3835380	148877	1745898	308479	582402		2659855				11437942	324613	4908942			27040723	3076498		689741	531629				179035	298271	110288	115897	2691951	14369095	2676000	2393318	4333120	22345139		1247396			1064251	301552	746839		401659		3885428	286293	335577			468000						591998	4082925	11253820	195015		3452974		2535995		3846295	291506		218451		257865	334293		163254	2140749	4965083			354084	10123004	872380	1268229		166515						15293234			806267			682389	6395741	1331738	1440645	203983	3046032	2279823				72660		1993006
leucylglycine	270195	271956	1217876	721972	1101775	519515	1226131	1331945	1571554	1587481	2499852	2004385	1372124	976548	904839	4912266	586336	1781046	641064	496536	570634	622840	474069	1214111	1619506	814396	915035	247725	1137694	635572	1056723	394431	3123278	248780	1010928	1060839	200296	323395	366748	289779	1434808	1173824	593957	1123561	593254	1234159	1830815	1071101	410968	1666941	383032	1022514	1001910	781722	537433	777710	910100	1143915	993749	835895	616204	679910	1058393	884321	682946	1517222	286470	888235	702463	573785	770459	583436	326418	889878	958801	1629441	2217291	835375	366509	671643	842673	741231	2131724	2793221	409398	795160	880590	649200	1769058	1856297	649190	508149	363750	450010	718723	296231	2689712	272734	691173	533442	3599838	544599	1207328	697358	1001567	1623129	799152	1073007	1812438	2076779	1413916	862841	500525	720358	1490036	1578445	1051345	1537853	1196683	1012474	3192370	425706	2475065	542743	130561	496761	584644	403649	789704	2290134	881208	300531	674536	401693	2342272	1622067	598186	1047345	537356	725341	458656	815403	3360082	939635	1071373	1099670	199137	453961	1384676	976785	1421161	1228921	3115518	1958408	871098	1036148	1043988	1160323	622101	1451794	621599	1358474	801264	1029856	1751973	1755970	3292243	673607	1211970	366768	643686	1337386	946948	4331359	339399	850781	343670
N-palmitoyltaurine						3947825				134006									1628713	949788		3366729	10383279	634171		122765		1033074	620116	854797								2864047	5397833				5976931	4052875	484557			345362				11056769						2603980						8801506						1274443	2204330	4400899		1002061		564553		4212532				4790338	806830	3974569			21907530	13097133		449738	247827					218093		237112	2471552	13476356		2619068	3367877	19327283					533304		1079097				3385836		721890									325418	3897944	4118103	243259		4801053		2340595		4896934	239180				517875					3580077				11041032		2182198		184530						19021277			872710				2867909	1605460	332694		3148097	1359598						2163253
N-stearoyltaurine						727438			38475	71380									738762	166694		1060926	2441783	152784	175426	174750	89706	272678	293679	1112849					124871	33055		724961	1894399				2152425	1486159	186949			426968	105889			451698				242442		1008543				708120		2330724						281200	591776	681857	36968	415540	176773	174339		771272				677246	525217	1303119		474823	2701430	2903021	97185	234823	2005765				236800	147583	68385	149908	819346	2122228	105201	628587		1092444		96901			357287	98161	561115				651913	108476	314259			103956	145147					112506	2183602	632051	107538		850366		724246		754545	96972		77175		162914	468352		70041	344201	1038635				1208628	592996	1760839	175136	93227						4537425			439690			209420	943496	440476	162923	117156	955818	798571	119773			89739		488342
beta-citrylglutamate							81392					64440																	325783				48177													35742			72938																																																	2982040															145028												107839																						57183						30912								51101																
ponciretin						937491	3122300		1378098	63234456	903259							800019	5490050									177804	357547	17439037			38007												48455988	484201	43140930		17708404	67365		1749090	797824	905291	112264	8129464						532254			1754932					542670	2850447	105193	6205742	1608963	103441	45928946	39586	45964545		381176	1094405						284207	22053380	678194	312260	50656	4614272	82874		35293	71452803	71855	606663	2038046			106020	2137386	2031853	571261	1557395	88400	7788590					1741161		8348904		2934990			212416		192797		370139	66540	371886	212540	180460	192665381			18944660	1265034		9643860	9974095	10094855		187671	1937526				1744939	42843566	15667879		34494778	3026238	34777675	120018504	148381571	45852	921718		4502460		6499727		82904633	198427407	1918945	146376	551186	19653246		408359		132374	6498397	8976234	1096668		159772	13126900		
equol sulfate									32419																225147	1489481																																																				102515											76846												243094	125295	230754	30925		1077451							52940		36729	176657							1952484	813594			48418		111391					54190		30198		22946071													384098									345136									97437			98025			101679		56453
dihydroferulate		253470		4242296		352522		1530453	532722	4828796	811167	8119194	1580847	519265	17584643	585732		6273333	2373367	2540257	2102121		200742		558936	843535	3280370		317229		561975		750373	536229	2128424	3621384	299941	196765	2804031		566677	1705813	202633	1450283	1059194	2632187	4913405	3632758	1004098	702711		862854	537901	529149		1219668	372942			3246317		1066703	4292686		2071779				1792561	390662	1096706	775573	5471944	919880		3705889		1734966		1336528	1294060	1353582	632245	1178972	2342929	3030815	190056	4194941	1176373	788415	1246433				1576244	2745617	1030017	509187	1668007	56276	941984		3375112	826275	454877	1368354	555063	932286	1464066		2229041		3656050		1288606	4861534	798542	537952	1168540	1013000	781097	2011484	863821	733549	380551	910163	956783	450054	3242900	1036062	1528190	2330410	806576	3653698	236756	1283672	1108515	5640390		1182735	724010	408573	4887352	801000	2411254	1635362		8666197	12771709	4415250	8808755	2623469	320650	577516	389386	736745	151443	863423	584949	1335639	4286514	1074517		5569680	1247833	798781	860930	1133307	3051797	1329739	478094	776087			885904		2316716
tyrosol	188417	301901	305353	240846	292976	351160	191673	203743	350942	129164		65780	238114	279452	716638	348929	293232	188363	446356	333031	584537	406515	298257	219348	341305	387559	147898	239642	211732	274423	245399	666078	195292	379947	147097	222885	173263	207565	245349	256314	86598		592720	341651	159881	245924	320828	255125	374993	202384	336394	436900	333159	415977	287307		210123	357872	324901	247738	271394	235171	435812	312641	235413	153658		166547	891288	216935	209739	245784	290794	337726	175180	547405	183304	169935	354713	219716	280733	192505	217021	282051	289214	435389	177181	217919	176329	213143	318291	190727	326176	261318	183432			317468	336178	1288280	201568	283547	160740	395931	510663	231714	446892	529957	200251	260566	319685	262366	139708	384955	249187	144512	394945	245173	94546		342150	158293	369320	165856	199729	108395	294118	376875	151014	285459	331448	118692	339670	90438	237616	106845		161807	112336	240495	197047	513049	274421	196730	279953	177491	207496		227482	156162	501004	300795	369253	404352	167322	222118	414591	505853	230589	187367	395282	221027	151913	227497	272252	684958	380372	349326	350167	392054	456891	167562	380313	110910	460532	324952	228238
lariciresinol			27533	48013				267187	295966											29013				127661			184021						54108								30851	107096					126415		301898	237147		30164	141738																	74712		48575						41305		94009															131189			96374			62868												1628993		123834	52762			215594						60246									28220		299474						164590	51402																					57999	136927			97125	48483					99100		32584	
pinoresinol								1168477	382401															250561			199845			73611												99164					75024		388237			34226																												111731														85888				279524			67751						76224			93977			1682712			123328			371566												37049					395031						79727	107018																						134911			48340		59589				235937		217201	
histidylalanine			72230	69531			137853	46954	73517	120102	48351	163666	150062	64283		371451		67367				37857				65465	59095					149737	71925	80254								53708			168703	80081	230946	184456	168499	203557	31354					95786		61714	56830	92838	87681				48346			65145					93653	71258		149356	216241			216870	170450	68840	108299	182454			73303	90203	124351	209576	90342				96207		91602				71579		186562	82064	95886	126898		122965	272854	221122	307040	75075	214089	55912	138431	178635	124582	111297	117836		175643		170922		64378	87963			268526	662061	243137					226589							147600	66801	157945	63754				221097	135773	133857	576606	427897	229767	136015	84623		94408	219425		81437		105555	313117		162443	104090				61058	101643	333849	91753	269424	
tyrosylglycine	44910		161503	126238		32062	283865	125585	151782	394038	74301		384362	130543	120927	822430	121414	261911	37477		180798	56106	87732	175863	96915	95861	92600	72819	156521	97252	82141	84808	201499	107963	97868	104233		164563	104778	64161		107044	48178	139386	286193	188505	449681	417538	217451	378093	104662	41919	106376	222507	47386	183175	192838	183305	123424	180351	155171		79072	93516	98849	58565		109194	70724	63596	60641	82318	79911	240068	227730	395787	366631	157844	34195	454108	392198	209099	185838	558465	183101	300762	179122	112209	221866	773375			65702	113499	128310		209513	204109		102460	165818	97981		131100	110287	219894	74635	304421	532982	418864	879297	105157	203379	59574	296020	251745	320158	235203	314403	113057	247190		453802	113263		94113		51611	225325	1312232	187471	93164	171130		294754	474239	67955	85259	117653	90798	52725	102039	274155	199739	189035	160932			61031	470396	256902	266843	1111954	774474	462180	374204	121517	98814	161521	413705	117882	153376	69219	160993	384014	125028	431331	280362	103612	35866		112676	120596	669696	123730	781783	35786
(15:0)-anacardic acid																																			122076																			64808																																																							205151	319467																																																																			
valylglycine	206990	154005	1589247	709607	744831	208409	1387334	1265661	765528	3895782	1290174	1000961	1577172	1460617	508612	5646881	523100	1604746	488614	1152124	487518	567411	475043	1981300	840586	403295	910834	197908	1250915	471019	586085	364304	1944524	703229	387038	930193	788000	250453	776211	254366	933514	1354500	426060	1771002	581444	1331829	1086754	2018806	477752	3437037	1303001	678392	572186	726288	689333	1097350	1134980	1515374	1117923	1041922	1444130	786906	677212	1226767	1291703	953636	489734	1193673	438755	1077439	961953	484955	253685	1237549	766042	3416029	2441272	966383	607379	1378233	1009978	956767	1943878	4105130	601534	1937613	868800	571559	1116558	3418026	758715	662454	427972	420171	782380	1150110	1683274	201591	868034	349924	1713758	714715	1759719	2002618	1856759	1074914	784572	685656	2664406	1581442	3238628	687107	480315	686398	924840	982630	1412541	2384777	2476003	1933307	1819043	317750	3369922	1081473	226414	535277	461278	705062	661592	3290883	563225	1369347	572280	278072	1620032	2148913	468029	646240	436195	777059	445592	627049	2184746	819799	787546	1022205	219891	500046	1199131	3420637	1353346	1081580	2277166	3392380	1824344	2239440	570161	935131	968994	1603223	882039	1789584	1185572	1108733	2695517	1654076	3431473	2529603	1065864	1044522	811365	1046841	607099	3347846	975100	2110731	412254
N-palmitoylglycine	125614	1199683	833195	781917	238396	1671944	383047	716231	414384	493284	1813064	366562		231777	360766	69783	883148		470717	702726	806208	687872	1034329	655173	147529	106871	178624	269965	554594	170213	1707821	474501	654184	1819872	892312	286821	1282318	1131181	835402	206116	604751	224816	729535	426970	834627			140306		548724	236890	5621503	436776	192141	950073	1185898	693407	953568	1528112	325460	337604	386690	360612	880620	861173	1387260	1173343	2331740	470422	709211	1307555	6678702		479413	147628	873952	437295	1824320	1264207	909358	653180	787834	161804	1749990			2465958	713852	296435	225108	573049	1260888	2889188	671301	1080581	597892	253598	1197745	933059	4817501	1909441	6174389	3927869	3363404	86633	454247	197914	1105634	343779	115129	315740	315446	870127	1691976	843969	347710	188769	407058	990806	355986	525748	2328098	487057	179410	88639	353419	734622	1511211	450146	404818	425596	428562	1691561	65051	3383345	545642		244537	822586	569940			242963	169618	698467		94219	759281	806140	321703	1205781	968814	494180	558976	454424	401089	118513	311232	2066684	357440	152906	498970	366291		272736	535299	1676159	614306	110932	288534		479209	284639		347121	1080587	1195183
N-oleoylglycine			285693			2882413	713537	1755099	623408	582624	886820	149079	253315			255051		438895	362817		287081	612000	1564611	1339663	177248		333537	637868	1863760	888366	1114975		594209	2630937	255120				1282935		2282807				675839					601037		4320653	1226976										284436						122757	623622	2336429	1239412		253422		260245	1858595		975370			3295250		3008455			5965543			69700					930202			224220	1043147	2069124		6407305		5367525		975764							634772					999475				2343543				575167		6465506		221875			1847271		4094900	761327		451810	170917	66342		487441		934941										442871						1616158	1068286			986667	825409		2053390	952251		362052	269203	106537					1442292
phenylacetylphenylalanine			32859	44641	709412	191057					32357		30453				84055					31672			33109	488532					957462	54786	1669521	144836		111528		66917				31700	62686							167214	45554	124818	146174	379714	36976			42628	78168	52292				92606	31605		68384	49581	2060082			35105												274501		80312														143215				114514			124376				24158	104782		38190	66495		216053		100422		541490	30331	92201				215416	180683		62636	169409				260403			60718		38966		127940			137190		43536		30397		90650	34483	56827			35261	43827	53950					86255		55268	173930	250886				43224	45100	144760	62594			24115
cryptochlorogenic acid							29829		358263						142253		303603						35079												134234		244236										543616																58845										95650					117785										46714									83012	24357899			238053		58678			123769							182633		63350	2739221															413793			55785		38403								238261				101871																				200463							142698		
glucoraphanin																																																																																																		734991																																																																															
2-stearoyl-GPE (18:0)*				76426			147385		111489	99269	292323	1274311			310270		176391	152103	122418	91099	29945	66647	142977	84153			75709		73544	161216					369095										611270		205447		362396			144234	58052				169314	280745	115999	174146			636356	83712	182171			230373						72811				158770	53433									87902	58653		283286			57008	537094	401167		415094	97273	331809	217737	280519	135750	236611			160095	263225	170014	31372	467546		371454		115770	80660			38761		488319	190003			299425	87666	1468483	50766		191905	1593599	68562		326054	151481	89005			340036		76942	129185	563544		89416	608181	279025	1564539	182689	466549	698586	246743	153751	55317	82568		373503	330182	292547	106165	95135					212914	227868	137718	199690	97123	193663		57722				
N-acetylcarnosine																						85433								59568					139578										628964																								96721					436706		46301												334507		99222																748316					43928		1172137			59632						41724		95881					62777	22794						167425		53253		77790					23156						42375			130056						1147912							69270										
3-methylurate*			363043	191696		70676	531435	122938		33640	146226			100837		184965	119267	76645	61268					2042774	268173	220284			32946	46328					54971	69384		106811						55757	47074			157275			30845							1676479	1206158		1276333	52172	64520	169115		288878	58086	148946		42358	510785				234207		374007		100070	316818	338470	287796	116512	357871						102892			59400	59260		63337	87748					80651		125161		50901		79952	189309	267438	686435	81811		27649	68434						67241									232304				41701										150334							195049	102867			50241	158289					74269		89932	53709	36326	66686	161097						46806	189997	60272	111074	40974
taurohyocholate*												602428			299801									50825																																						1983231	81265										414280																700247						92542		336399	87297	798409		304008		454583								8316369		1395278		380908												1009719				2731029		141646	3341647		381720	3332304											862727		9227704			199065						1106145						680366			4027381	653965								
2-hydroxydecanoate	248465	496088	361987	458077	757847	238048	575779	782620	469786	684559	242047	170285	674667	415174	658853	2216108	457330	905680	255294	110027	311461	848057	275380	839788	209490	368589	436790	197528	792649	427658	623663	122333	769008	517968	256241	504106	411774	1234661	571244	3892408	3094415	542727	763388	487108	470179	503743	275808	769100	418649	856576	517279	359595	715043	721666	268195	770115	248970	242470	288513	616887	265933	560727	561338	871479	433062	97800	950715	488665	774773	311386	617262	420982	180547	1417336	336844	706878	1103799	659983	727701	939987	943510	1501496	710265	1086509	808501	870143	722128	222055	251675	1669213	153011	1533406	930107	2129863	191440	626132	336956	89842	555064	480739	719924	326748	452864	498522	709548	1003975	809667	913310	392788	455032	366021	262148	361753	917680	973187	1156211	337762	1445730	534748	987412	195707	1187484	420473	476662		729327	278500	1122957	797006	533038	1245862	608552	316061	271336	380952	313134	318803	543274	684810	440224	478768	456392	145850	615342	333457	116378	361984	773739	533754	546345	190483	237611	203240	510435	901982	642650	271709	1336616	626179	1010728	515061	676244	253659	725860	583958	541978	357970	672174	174349	487381	545496	1042130	441273	722208	499825	733202	694056
4-methylcatechol sulfate		12605	35459	817299		28028	48721	1581965	400972	2680514	1095266		825154	129881	300846	258539	401373	171755	536511	209109	72214	42225	40146	1531457	1029392	2254810	2087317	133304	1511050	736432	374841	111285	38082		2518770	36592	43887	52040	2124956		806944	955813	22992	77048	552015	339932	2934656	406770	262120	60051			361857	88601		383550	195797	395070	214024	156782	392980	815430	497813	562543	244013				200379		74646	59398	923692	2345294	1844489	4550980	786576	8759272	33092		46944	940222	1775139	2464818	64782	145616	21897	37620	170280	483708	320025			701863	1071993	544008	18418646	14631	245186		2298125	6117913	754077	1051420	81667	3666952	1313188	70175	223515	13663981	86883	362755	126143		7041429	3882275	1537416			2548417	241802	235387	436771	595388	3050347	418025	807084		2045977	121743	4830511		1925727	69302	239345	406739	67672	671049		3251274	55160			321457	2973361	59121	40499	613494	281692	29834	1331892	1460300	985229	241202	470930	485710		54162	603071	104157	718021	211089		417965	10818460	174077	1898262	56853	7332325	1052525	4269189	1814975	244693	43086	527291	21108	530164
N-propionylalanine				186836	198449	340393	281396	470970	175323		148841	151346	168967		128516	114056	132266	315877	529040	248801	305329	108362	210323		67655	187362	73360	131563	120753	182598	237875	62155	764478	63264		238383	209636	216210	337354	638835	664617	193054	123773		145446		80495	328142		141899		372127	298196	259127		147312	111554	312436	148969	206884	341005	212866	258796	407799			84959	111935	636068	343484	250993	112587	456175	366290	150551	147044		432779	136169	235149	169607	290000	182345	302564		84864	181798	182784	155888	198448		95508	79204	243196		211159			202728	171324	221907	236469		275266		152122	104482	321380		101924	174430	128095			136119	173323	212199	119165		120451	254725		163552	103922	206147	363539	501865	617813	115907	115577		281475	98740	135042	196076		126632	129555		437364	209298			93158	412438	105761		76210	365222		243902	264650		165665	122453	145443	118762	145746	403993	324520	138367	173394			926968	353721	164943		294159	403209	176152	143040	387201	84423	242989	153378	169505
N-propionylmethionine	175076	727819	436142	1075079	1000986	2683859	304742	577378	1489334	727200	522150	395428	2654079	711015	2306505	985625	725999	3959874	1302910	2551693	1069585	393887	108488	462658	525731	417380	168948	103867	120785	682005	4522048	290955	13938500	687044	151049	4922302	252941	348266	585846	664776	612305	463094	673596	620963	707095	348571	496528	395884	141088	929587	295863	1486001	1075154	672975	460680	870681	350020	1290572	629897	636379	413317	373691	384410	605050	627862	302183	485761	677117	9017186	1308300	486061	514824	659766	3232764	338523	310338	340939	1033217	304236	12358765	13018778	716872	1027903	1823525	280243	699507	872319	1075849	1032919	1184889	285320	915489	597985	636561	434670	794573	488876	50179	1843907	985912	925177	542907	1777395	780563	544714	812746	525370	555195	359710	1435014	838844	987986	216954	769756	374025	1001819	327514	613576	467711	577564	715644	776680	1492634	387094	262915	347885	1406048	1462003	812026	229814	219737	836560	542457	1553084	1011378	525615	733782	1177182	243898	1741091	918654	1099160	216818	308407	4625014	584043	646754	310649	1059357	194431	1560678	605989	3496541	776163	648255	490986	265525	626574	362272	416657	307000	534611	999843	880545	717391	1691576	1628339	737894	1582916	708180	673318	1205565	2990122	675899	1133693	810573	10417821
carboxyibuprofen									4368743			3280611																																							566212																													144096	162471											337477							760915												4379746							2300020																																																161570											
3beta-hydroxy-5-cholenoate	444424	2689869		1470248	1194104	1243337	1069219	1438615	2777028	7038633	3208593	4561172	856481	155432	1807577	648555	2145330	4525817	7866998	2130662	6914808	394142	2414453	326461	816450	902798	3893301	1099567	1697872	3747986	1824017	2106407			6020244		2305100	860199	11813585	836005	4031351	718944		797418	9109202	14372031	6031910	6508620	9323637	1835093	1935153	576450		356912		1408076	1582210	1985626		1282574		4821986	5743606	1147987	2319674	441181	1750387	741366	1310105	763121	1824685	1150409	1443922	25214334	1054667	3685310	577975	9560811	594238	2745270	1755874	1446339	2350771	3132394	1346915	2065102	2493926	13752407	4682946	717272	1468062	1300919	1222315	1986482	2635946	4923047	4303693	1781640	5579236	508961	5485434	4916874	9962864	5221160	1205771	3004015	1782499	2867230	511129	3709457	4204408		10536979		5207922	3257869	10444843		2216865	769608	5240175	1869364		793549	1795086	5312907	9909023	1811414	8045924	522030	3260359		4259053	1474830	4923151	4863487	1781120	1428518	1193657	2942976	4993881	877839	2470643	4757110	2687824	1642995	1944216	3984014	9378434	2729932	10439323	3976015	3888278	479179	1010060		856152		2447189	463561	1677142			1884953	1566281	1724677	827414	4532246	976645	907807	1006973	1927054	932393	466656	1336814	255265	1918609
biocytin	79798	103528	151340	232682	202344	335577	140848	174308	130508	217269	110689		228972	165032	90753	239566	127429	233103	139945	42694	175461	99880		88297	127065	139956	144226	84472	70001	125298	282598	161291	298042	99498	87934	232828	64138	128364	168209	131708	169394	130925	122484	177157			137626	102749	73861	125666		240520	132762	225511	64532	147050		235774	202892	33553	97457	117153	164982	220358	167496	158501	166942	221479	303778	130419	167483	163583	75441	209846	60414	72807	102109	106491		99062	105368	165014	85345	98409	107479	124443	70550		123343	218195	113372	129155	163608	124640	73680	76719	110650		479467	125597	88492	85922	103050	69280	172453	40677	108114	94508	169303	100267	99247	126740			112627	81480	132225	179526	38336	150819	116606	120882	382688	152727	61812	140102	174675	244371		68563	79148		148913		138131	65204		152989	141335	168955	112944	95561	142510	130416	89374	33449		81235	141065		97572	82736		87526	124459	59224	95870	192239	59605	151063	118875	207202		143657	140524	179998	201550	100618	82985	113042	81331	136382	175404	161026	140332		159976
tryptophol	24954	88233	50792	75208	269454	64241	31185	259891	259682	85782	76175	43572	89406			36555	137505	24943	90453	84304	98592	176361	172948	38843	101133	247950	45154	90067	55273	139575	256870	321696	152294	123713	74692	94160	91220	69398	36108	66787	164135		152119	47997		118685	128836	101775		70966	317631	236692	74950	144163	104976		111219	90945	145234	201884	260148	30828	214233	113785	94037	45035	94188	36189	413848	48254		186722		153863	61804			126837	61401	44184	49384		145323	109054	85961	314919	121968	2561840	190673	40423	99607		71958	92005	296980		85362	111590		427511	57388	54839	208973	110480	222194	71296	124394	131411	143127	100602	99636	110552	52150	78721	92223	195145	162274	357216	44855	98403	286597	50863	85250	42155	83965	61154	94860	137117		93940	281504		188538		190327	109030				115719	44813	115163		112528	85659	180740	256891	64416	110989	201599	128615	85672	246184	76984	85847	79511	174666	113420	112358		116406	47039	222863	90556	132000	118686	142253	173983	58846	131231	155986	79865	207319	91681	154144		57920
brilliant blue FCF (blue 1)	226308	69402		598984	1020038	83576								3695424			93013								510887			182212	201411		492210		995964									311223	1311663	1716446						500912	150476					699567	3325798	171665	149402	115207	109726			893699		219182	211330	1218008											66649	236170	251284	409838		1140361	3436513	7568616	4398713	40182		3517513		607259	133108						242851					225816	2677191		84431					424268		2597182													1187344	215698		93024					134523									99265			7284081		75426		83049			1358975		111888	3811267	1092850	1142528			214223								305058			266271		122994	100307	
2,8-quinolinediol sulfate									199351	615886									15643																							47296																79166																75118		609236		2862482						168529					103595							471508	357375	109127			20484574	1986334	7911328	138509		4813847		1242541	19396	163687	151247		268352		518357	3166640	376803									1112054	6603387		164076		909046			1049593		917051		30199										17722014			38897	115939	32001						59278						384343		74174	13369620	575536		27058				2268214		139465
2-aminophenol sulfate									140610	45910	155178	278614	113483					603025						274212	138330		928187		70865						269611				22099								408956	60155	685644			186076										46499	1329576												79053	112818		1067162		183799	199216	697175	239853	237324		1004429			482395	296563					811522		124378	29929			31215077	121186	220922	42007		1058309	167034	540840		143114	472895		489720		151981	2592934	720362			619328						109987	61586		938750		222090		58770	114563		849300							68496	639724	403146			84139			399535							95685			559221				57596		230941		574959						57723	45512	296698
1-stearoyl-GPS (18:0)*	180843	468789	648260	4637049	505580	1362271	3514706	743361	2346673	3455802	14405987	22232798	457926	245787	2917541		1043692	2095311	5770028	5146722	1307039	263732	1850942	1615968	255377	193088	1357623		706197	4157715	724350	2090617	76526	182656	7246387	342523	226637	248563	605735	102022	1153009	3081015	350955	1594333	11699316	4173186	10652725	1459631	11155907	534361	2778490	2198825	127553	370197	248200	1019137	3391652	9412700	1780941	2260733	967785	3372389	4322295	1477262	2380189	1786335	1646486	7872858	336698	463863	691562	1766857	750477	1180453	479511	1529058	186952	7483712	226432	132793	191408	151031	346422	1844021	1424513	4104934	2263438	6543198	1909182	1094141	12030925	568161	3977674	777333	13012206	11040701	6161622	11081568	3714813	6787390	3008609	6874797	9462586	1175514	741024	1062232	3649157	4453009	3078782	827467	3784726	782479	17507334	316494	1403606	2060002	287798	268070	734628	848024	3939853	5517570	4587663	1072350	5234127	2129914	7617591	745294	4153991	4762520	5066032	709658	4358294	657336	2173189	4981502	77413	967419	4448938	938514	3350459	805048	8986778	820166	3571047	9571754	2088751	18412336	6772703	18101249	14691808	7140597	4342427	920779	1824407	701416	5467641	2654842	5620002	907083	804422	476364	470379		1269612	4870514	4065240	3321252	3364160	1186361	3051620	933670	2187887	891537	464359	1202198	411431
soyasaponin I			113427			41208			3313416	160059	134857	38445682			370904			147491	577420	98116						60177	335743	111333	461068	422336											76243			98226	1253382	69247	112078	109551	467142			100427	121137		61580			255822					402738								604668				181705	1247593		520541					1597009					2686335							381378	311017	576653	3171229		68039	2125133	4289614				71760		173358		148273	377268		3554954					69407		87905	297416		120523	49508	182047	350044	258350	797538	236671	225354	76715637	255965	73363					14149015	62189	313759	52668	95498	179633	164346	361125	233518		84095	190840	894373			423385	87525						70500	737432						109788			132995							
soyasaponin II			44278									1310423							159944									101011	177786	155255															420489													79759													161731				62868	543651																			72601	58150	109983	261861			323728	724908								76930																114594		165457			58595980							3083666						61529																	174040																
soyasaponin III			50000	63773					164594		215192	36553245			370113			230773											277186	689759			121842											724109	171887	71657	111862	128986	948505	65085								113584				163515	243059							133805	433542					219585							7638221												255924							765099							149480	45073	269048		5163734			117970					43778						296075			223569	5864605							17853537			126537	52905	136680									65245	124340								229488						195132				264883	94493	186535				
valerylphenylalanine	33417	152068	155449	283894	784334	1504725	41696	450777	60335	1279030	115580		624472	86871	617309	398176	210767	435644	361771	334249	311878	99050			81941	935010		31476		59417	20603044	500440	19997216	491075	31932	268917		170770	203681	66541	61469		529595	322098	364587	55553	89768	289289		1133130	233761	184795	619116	664039		547729	226950	388920	395018	474290	81425			124919	220800	109919	172577	237173	6246323	61501		48486	67153	146348		150195	40934	610913		131780	225907	313428	283949	1855805	89398	371518	466028	382502	205832	183440	72643	256066	113055	142587	54142		39763			196229				498507	347006	214904	517329	178693	49176	456247	68721	1450886		138136	806281	113465	845078	184032	282463		1617762	142138	1318474	156162		238673	621514	259583	456716	119296				37071	137554			654090	55700	1183302	47399	517003		35594	434441	140303	203574		37497		1937715	147893	1272713	162988	31768	134582	258686	417012				64657	1525578	637018	430203	881043	1070601		69602			664051	2372346	435132	223299		113775
2-methylbutyrylphenylalanine	55161	62527	250723	218949	1592795	232959		256846			71487		58469		24432	57374	128995	38193	115872	64890	96529	62688	36492	51003	86694	858220		29624	44639	35715	1189488	199645	2033751	233433		94644	54670	177102	67146	64156	44587	50958	158945	71426				19837		229461	78154	249449	416292	829576	83311	36645	161940	151590	246348	357381	37641	61880		221102		66795	141298	44140	1441558	150887	177850	40642	72342	55968					68947			65235	345153	544622	94425	275153	59881		35780	39183		133326	62520	48714						286171		89191		177652	192994		590100			22300	44510	106482		160281	86740		311042	37966	88414		665368	47897	436334	21314		87391	402838	657349		61833	111549	48545	39818		397188			191289	28829	166637		440207			213531		161201	26274	79932		129321	65861	74491	27975	30274	33629	109552	232930	25907	24586	29636		168845	60536	117037	436667	348507		29167	147031	102621	132426	262146	270388	30754		87569
N-formylanthranilic acid	197093	394520	355435	448890	796355	352687	75946	203212	336806	147645	235188		284699	173588	206199	390274	409592	191601	285442	153683	291945	561810	565835	240898	406888	611648	107398	721899	530450	392060	376208	432291	579388	728020	490083	490878	157423	376912	480970	343952	311651		603660	353959	380914	230487	104973	104465		356689	250055	658530	336246	657787	366295	548750	317037	264474	305259	403877	236064		73618	421164	270554	790986	345341	316775	1272334	323868	152464	255826		1033465	234657	113007	254052	237378	257718	234424	366880	278421	441712	463979	338695	466027	338644	157454		262602	324608	187589	269539	307885	129020	161527	79816		465974	420094	179024	320527	395667	766214	382055	351698	484669	104356	263279	230516	228860	257608	76564	447204	152531	126979	352033	374958		137910	690962	1264555	826481	550724	173445	266507	836323	1352025	276122	211483	296161		361602	122330	716089	224048	85901	496572	187673	162016	107455	138902		124578	328143	150734	509210		331733	109626	298937	487663	358766	252102	325575	211014	238885	228221	224825	304465	129085	576715	533132	384134	300995	409466	571973		98777	172774	144123	271252	491710	145686	465040	193824	273551
2,4-dihydroxyhydrocinnamate	239614		233752			312170	180588		1041705	4700168	78075	396096			2011416	178966	2014235	76700	143116				231810		72582	261369		105770		1334329	475080	204465	364928	112826	4157013		130053	147130	294160	178220	98284	456197	605696	790506			360722	251944		2870732	91255	448282		2148197	776785	53989	240168	338569	1356422	163118	1137376		85579	326875	655492	381547			684328	55725	128669	112304				2381825	150259	883565				139164	179718	355932	748171					307556			168552	79216	78689	1024688	1123779	96994	1964675	738054	76248			671245	196521	1265762	116771	129997	583137	268607	264880	857369	368177	190836	307738				182107		1046014	409890	405327	2703174					1864506	716946	957053					100659	212281		88931			3866027	4658536	2047375	310479	350636	86816				1951641	3446503		1156177	1923182	5928301		4237429	108495	6098948	2117400		635954	1191274	254106	241879	622477		339757	3305060	1083297	495021	337170	59700		160551	155401
1-eicosenoyl-GPE (20:1)*									61709			359623			169958			44211									73422																				114039		344228											1126344		255627	445486						1016007		89736		52336																						420333						2954816	101474					62798	114092		58167						230596					129191						113150				983013				1243167			213096	75330							189225		2483580		89627		43639					56227	144180			86275						46096										
O-sulfo-tyrosine				518310	54907	78441	1707836	473383	86547	1514542	359283	32083	2608337	292692	226238	401661	114151	475348	712319	153507	363758	31195		500050	648874	246860	212363		168409	285845	413435	60155	514604		1368801	76023	36361		172703	90640	518825	226474		131703	197381	124568		664233	107054	229378		119836	287896	516012		203611	269292	202107	215075	136473	148610	586489	2334925	180064	332954	312709	316820	666470	264288	28192	48133	197081	598088	749064	121387	852797	362084	1754270	116430	621229	1045886	921881	587206	1020887	255864	305916		2627205	6099167	640567	238929	32126	34510	318501	359642	1271920	775342	7808054	219906	129887	2883812	999363	17985689	448127	96735	1226489	194112		222069	5079991	541810	39150	11534372	70033	595935	254814	221564	52692	83934	96606	291602	1764446	1178308	761748	231008	585676	2698370	211323	373441	412825	1278390	88303	1026045	2183033	609786	1705818	54039	1684395	1797204	1047941		184834	296540	208397	124262	58903		617548	331025	141269	297574	648496	140269	1140438	875866	721711		62471	268057	473356	177698	122500	347099	675799	414277	135692	1000179	294073	70317	269041	516273	308398	195276	309542	598841	124043	2234614
ferulic acid 4-sulfate				43151					126881	127227	141406	48165604	82769	47395	285936			229770	166904					41152			6713720		283427						239783				46912			102997			22988		11497750	50559	217852				93421							78568		251896	3309040		106481								156691	115910		1692359	52953	25672995		34312	66409	221506	38055						444020		146802				6312933	536992	635977	988444	43046		40150300	80579	172840	33054		1549358		273950		99015	483917		1610403		407107	1664164	128252				86044				263779	741231	696462		106268		678941	104792		647360		1107128	72232	515490		44536	63592		103737		886693	92989		4445254	205602	83751	1553460	57716									1196464	142601		85116	448010			1034662	799437	31311	367819	38702			117895		2844279
3-(3-hydroxyphenyl)propionate sulfate				153425				63079	8809335	86073067	6851533	308837	142401	39988	1474150		2074328	2944516	4008045	377182	488189	112989	119286	4509854	1036721	7384059	15096973	495051	2495449	2453536					31329684	840123		54616	4836102				50009	297662	1023545	4097401	37016124	23645710	7535188	431676		790483		626443	57041	84803		2456936	1583089	212982	2207294	9577380	63750025				73555		618378			1222454	5560059	5376617	2222769	20203868	5888113	17830704	407121					291566	812767	170909	146169	168911	2325293	7204611	202647				1753005	12431812	46988464		3715518	998963	3831158	5119842	1117657	3620933		59862429		3990217	13605583	4743062	10994498	60978	1149751	142041	6479618	23075204	4773276			1715874	2258985	7658656	1917652	4677302	1493985	1191965	1849336	870903	36550914	3876302	4614952		376397	2942682	70644	19881970	842837	17744153	880743	2689686	404832	625597	5398019	13019934	15206656	20921236	245352	5575050	1863662	590502	18932291	1657543	437796	3832935	3980177	8575294			2431769	6929726	36685714	5857438		65559	1611689		208105	4053831	100404181	4010815	3972720	2921586	776626	1702672	9492165	2383370	15158942
salidroside								104394	79086	48785					328031				27633		108226			57152						56363					50406	76446	83752					28271										51110	50011		40170								74476			40590					54599	34417				67276				37445	28400																				43060	40848				80821	44844				35715								66756				35558						34536					63782		168229													20242	78130	45380								28293	100519		49589			66891		30529								109026		
N-acetyltaurine						16976650			2836093	5184809	241949	2893812		43599	3843522		48814	303513	7510450	3748236		24424895	21252957	15638077	9800071	7986399	3974671	8445328	8019919	11646094		45393	100844		7894095	96268		8223184	19967858		177572		22891065	12094327	4626393	558452	7512589	14515594	5204705			7458811		150358		650794		8763126				4402957	4320356	34879928	62524	41088	59268		161793	11145357	9585661	17788039	4731865	9174906	7511946	5648938		9488047			31179	24444073	26999726	19067531	57159	1225238	3061746	4128059	2188424	9226583	617366	40799			1738635	4701111	2847444	1778186	13972551	30782075	5020583	5793972	4678694	13169026	383316	8756349	746934	5197073	15020672	2026392	7478413	33356	2268367		6512431	4171315	5616736	188137	607551	7547001	114956	299002		99238	115530	9321145	12608166	18614108	5528173	94716	6760026	6586447	11526571	5392208	10712797	7393317	5443610	3745885	116468	8970305	2419960	480862	6204721	9856173	6323438	1709096	383727	1531130	7007869	7363322	3555289	139174	2928425	72787					12877755	6371872	4647695	7157783	73326	135248	17517883	8976418	9005593	10733395	3567284	25920181	9201275	62705		27918			10317497
1-oleoyl-GPG (18:1)*	77225	2259939	429940	2968276	191475	1204078	6898693	4333716	3104790	1692733	5605175	6007086	1263691	544036	3485172	708094	1849055	2774641	3102403	1588405	340944	873483	1464985	2342887	801520	206661	1485777	723899	1050599	4055711	971558	520851	175886	184763	3623191	564504	485025	1796603	635089	1051656	5861074	5968132	4417511	2074681	5585886	11437759	4692983	1074568	14781193	508739	1949843	4921071	777403	475734	890218	3563160	11843856	9252503	7670079	17020811	932491	6043835	3352791	2340776	18770799	20186879	3557910	24510116	377774	1670868	4041143	4460263	7515291	4505264	776779	3937920	539600	14592202	1390809	290282	273625	576868	602938	1895574	10395732	8457848	3866780	3741978	4378023	1041150	3561305	4294040	9373488	2810027	11350114	14868337	990869	1665053	4912736	9031852	18465356	4631325	28676007	7321544	841665	3470161	8139262	20350784	10608098	1843175	4856348	532676	6044778		3052016	4486192	533978	428448	2232840	1479701	2025920	9655402	10126040	3286644	3225329	3472348	2045278	1097096	8580935	3348075	19873806	1220804	582413	869658	1372545	1605125	75059	1170217	3710832	757853	1628861	4369251	2544071	1146053	3829567	3654514	1159323	87378193	11173595	50616841	8890815	5980245	6351774	1616305	1998364	1442804	1288621	7642319	16336452	2259526	1814973	863829	773545	1235192	1747953	6295178	5686401	7499550	2182473	2474174	1533456	1095938	3108513	2098224	2340328	8519921	1663797
1-palmitoyl-GPG (16:0)*	168092	2278267	852513	5201989	362019	1148522	3979345	6073335	2931939	2750051	6718041	13754606	1655911	946829	13134357	1185859	8471821	5921693	7305004	4132129	470191	2053763	3128876	2430672	1410775	424391	1730592	1145741	3538051	2657378	1747521	1590880	587954	366197	5515228	624443	1163975	2281956	914391	1908941	4343954	5232381	2341493	1976202	4850373	15042943	7047398	1634640	27184677	1213243	3164193	8395378	1207484	824064	692811	4951391	9627010	7333856	4051375	27391414	820973	14669057	14332434	1547897	18883234	13198970	7250912	14097368	508744	1719981	4764343	5551801	7337181	3649648	1266029	3773610	1083673	11530391	1781000	829644	531469	843294	813277	1550550	11425407	6234445	4491490	5595178	10713181	1183610	3389503	7978964	4678445	2879833	11197142	16936059	3911222	3764223	4920462	12246847	48530632	4536338	14104040	3932926	2158124	1633908	7394817	28690747	9904239	3424705	7849846	778149	14417425	1195778	2294729	6078208	3321005	1223197	2968498	1659216	2506247	5173161	12923634	7694489	3999844	3835924	2971156	1162437	4455867	5605845	33478527	1518797	2536774	3075469	3286227	4276636	105360	1921071	3795619	1753647	2942916	7154744	7327869	1216578	4153853	6939124	1760337	107309949	19063770	46127430	12210158	9674225	5732792	2017618	1650290	1361247	3007978	5965746	44933136	3922361	3643957	1378321	2592710	3063771	1912636	10096743	4944936	5649439	3511905	3225137	2751545	951814	2629702	2199651	1576429	6313053	1865242
neoponcirin (isosakuranetin-7-rutinoside)						51288																																							199170											981624									49760															292509	3099862											228739				44969238							40800												131645					60902									170894869			3177534					3478252									7609347		1416721		446520		60370						217051		205647	1159707			57697						681360	32787	251543		63785			
1-palmitoyl-GPS (16:0)*				1308277		776794			1156017	267078	3406991	6371460			3198895		1199834	1767637	516218	430260	214916			195998			712433		246774	260615		355910			6646418									291658	1096772		616250		1666549		220839	958865				95854	432438	1230544		2343661			2694209		3338519			741477		155950	426913	774920	521738	363511	99539	762782		2052940					46148			1620319		2611169	2079354	144160	1163918				1349268	3700155	1274990	815155	2004491	2401863		431277	5379740			1010370	532381	3070507	982181	675493	860821		1907916			523591							3191508		1314653	2602256	810979		557304	321937		965858	644970	880056	474756	703441		454576	757824	588267	462620		13095184		596958	907301	323564	7056182	2856548	1248795	2449510	1593769	428819			124460	492230	424447			348581	361494				673267	833187	411067	1637965	496851	262790				689748		171611
N-linoleoyltaurine*						484179				52651		610678			60077				414290	168599		382808	3801947	551086			116799	1755796	1065610	958296					245864			520470	4567881				1075369	1099984	285835			569719				4613987						920661				1321781	297184	3511962						495276	2882526	1458474	122018	580549	106483	293623		2075890				5758450	168367	2465192			5836606	2600901		221640						98138		169233	498899	2775787	4118064	625924	1894824	5538947		596083				158151			816803		1433005	259900	87361			175665						548290	1537776	1206131	174120		2958991		1602512		2039251	239472		159784		208204	61156		82464	383479	1191945			3423266	3175406	270949	231229		80856						2712483			208173				909718	256524	398835		482574	324866						796241
N-acetyl-S-allyl-cysteine																							24697								60809				119168				20658		171099							127729														82563																										34546							36578									67120		408273							88749			1269108						239908	45589	275044					95710	332819			719183	111144	124906	900507							54754										42698			92755						62430	144536				100341										
N-myristoyltaurine*						442675														140622		390552	387109															272346	188087				502647	333559								1307208						346709						400565						227286	146026	1160839		138546		81611		451414						130356															102833	3512849		503677	1340947	3691464		125094									198870		233563										147805	273725	144397						1380724					255177																			2597582			232494					216353	152697		226162							247076
10-hydroxystearate	2308949045	3770756321	3281704619	2782314282	4682271136	7092554248	3341916308	5203805617	445512071	415121628	3365984257	762673432	2650911824	1195042689	1921989995	3903540604	464148793	1625306089	988960761	640432846	4007958602	1908677792	4839764624	4057977585	6357683384	796935364	814805919	6524275814	4868857084	1779914208	1259330670	4723762524	1090445206	4350127033	1895159307	3551166797	1513764080	9582370675	5417252084	6689594167	4494508119	2566959437	923339980	2943998974	2849806061	1379732754	4077821461	2268154072	2317192871	4766009847	4713200304	4000101763	6729854931	3068343425	2660435710	1778697857	994525303	1923406572	1440852278	1074248296	1072336912	6501198765	4898254304	2226603268	2679588795	10243478694	6194035352	1467991841	3520574715	1852598774	1678049279	2506446069	1956569429	2456606582	1285357473	1246825094	3104254851	1997513037	1484241008	1963156481	1900637111	4623203028	629006012	3037896861	2597770590	2283232073	20065065376	2210875369	823580890	1678215714	1629957955	4146606373	7320198359	3612601912	1597892457	903769553	1995866312	139536484	1438944318	3236782593	4119300636	1360176239	1920860887	9240759121	1789767056	3304683901	2035188223	3987097872	3176015867	2374472862	838470245	1754916164	466041460	2389088315	5751002542	2643722570	2182868923	3000735874	647432044	1672410220	3750681044	11006705586	1468511296	563649114	1137714089	1259162218	2454178122	5583647427	1070048135	938088399	3511988526	1057312723	1996039317	169214813	5683088988	1006957052	176810679	1088670496	2974446159	436592054	1900823070	1558504297	1749954514	2971267310	5905889196	473763153	1708114767	1635076066	6001665090	564379195	1535986841	1695659617	281864929	2707184984	6284492461	931110544	453073627	2082275333	2357284817	4043637675	4640211103	2437977421	2472124034	2841402908	2633297020	4525583028	886140300	1674926900	380989162	830767938	1878906282	1335932276	4109990194	1210856356	605369711	3118147584	876521561
narirutin (naringenin 7-O-rutinoside)						86797			32420																																				267995											2462808																						94376		726520	5570354											628121				37117313		115608					240982												302276					187650									169200212			2395946					11291499		146258							13151543		2028574		551763	31529	92865						138868		370620	1665030			209540					97245	690123	70391	582198		122898			
limonin																														65101							187673								53952		36798																													315999		507997										6052668								209063	2036015	486775															100724		272792														2298112	8169954	1005281	8243372					6093202								752577			11863111		47758				51264		350174				63531									98836		87323						
isovaleryltryptophan					178607	40335													44658		44152					198188					99254	44867	216966			52365	58528	84114					41021										68697	107429					57542										365438			36863		29526									57436	79949			31679	104319												111411		84687		51646			27515			3936803	44412940	44836			28555		69501				63032						83904			36963	52134				28699					48614					80805							4264541		60584		22988							137610			145454	182674	142490		36491	54468		48227		887659		29591
alpha-CEHC sulfate				3252903		113174	2546824	317072	1208803	861221	551466	1240007	1824531	895997	148027	622926	460482	435811	1444190		599227	21538	231182	4401140	1155737	894822	3278381	474978	2049054	141727			30443		741280				781233			482689			2778363		1726139	561806	6839700			980314		114551		340965	772371	340502	350434	2286032	869822	1498018	3188873	1112106		165776		38617				337244	1398155	5036760	291846	853713	5008476	1616346	973597	3301158	2911660	2041636	2454188	4673967				65648	14818580	1959153	2670951				1403152	2044716	1617846	253175	272883	3983593	3774638	4373280	1477599	901165		2112338		930559	1189437	1437412	1546316		1208465		1787520	1032861	1556957				432335	405292	1167204	374638	8276962	17485393	982487	393119	3287525	1673048	4409359	22826	1504825	398777	248219	348609	51861	2883708	361749	3936666	1220380			370688	2779539	4358637		3757567	2077964	2397422	1175073	1778174	540358	7515109	1530722	2700593			1159631	213916	357341	2606126			4061823	391053	429925	1553391	1404973	1613860	2354939	7157263	177707	414456	3148204	12714312	1242867
alpha-CEHC taurine*																			86625	61171			211912	270859	58242		195537			111887					38270			200030	560727				334856	302652	49671							155816						65278				119385		113640						430922	215890	86157	334068	300622	267104	71707						177917	731367	561037			276936	618368	767560	120098									218643		215552	200480	765963	38313		210897		143351	56851	247410			78872				62700									2204945	200619	299435			289472	86672	142061	44981			184504			224355	369612		417996	176935	42396				1203866	361415			60390						213644	190394		112250			540396	75321	102129		125998	349287							
diosmin (diosmetin 7-rutinoside)																																																																29308	264718																94429															728523	1022596	13173788						416090											52031					40356									38379329			57354				43112	2663941									56755		626750														115712							127106								
eriocitrin (eriodictyol 7-O-rutinoside)																																																																																																313311	110561	686778																															878121					27248			404133									153849																															
rhoifolin (apigenin-7-neohesperidoside)																																																																																																102178	35868	191027					40742												43624					64189									150394900								2974112							33687		62940															106478																
diosmetin							80466	49642	188258	355414	51425	217749			83247				26146	53036	48339						95035								186118	29396	496036								144790	97253	48667		154877							32811							1021400		68045		38979						142760	128377		297148		2293855							313741			3395346	147124						434555	161955	158559	496496	424634		184662	181286	346801	112844		362348	30285	61515	38019	43636	128457		2653672		369757	183199	54245		36281			747071		61821		65516	176823		15410017		495211	93460		289752			1478139				96613	74736	64755		58548	349151		160788		385468	1052626	122921						123234			808271				81833			87837		47894	104829	46288	99764	58739			
N-formylphenylalanine	526533	256176	1175618	843925	452751	370189	567933	1617326	235114	316046	1956995	307807	554438	580193	341874	878069	1255108	485067	542027	257120	486215	601845	664559	780169	884609	654183	306053	738659	614340	330137	470042	320882	326803	529649	231657	485968	479896	884511	641319	848959	379392	1144750	227971	959181	328254	527903	609123	289171	381373	419279	833967	636283	1159329	570544	359722	626487	814660	836559	811745	387064	480554	996025	532788	770082	1038317	1195240	2285586	824625	313079	508285	482498	294246	214485	416505	479473	211374	509552	430546	1138122	511219	633740	836870	529095	452080	697132	658625	883603	127470	176245	623866	400955	977943	1601208	559830	218828	625805	350988	310162	329681	1905595	721747	891162	379432	245406	523535	374872	392102	414520	701303	415663	1018365	758757	298647	1018202	427052	346021	336473	551914	655057	341106	580611	295585	884217	356397	235619	749638	424570	761180	178427	711193	299586	589746	721407	426918	526154	724519	401193	863959	891303	397439	407186	849381	555656	628903	390979	437691	703058	347562	954643	685394	634219	557593	330558	520685	592920	588728	299072	432196	693421	511681	752280	418490	591629	1064585	522119	576372	321352	213209	564831	428885	692277	381997	682425	543737	525471	783752	317372
4-hydroxychlorothalonil									117267			49785	49535	34098	37001	67070	64274	39393	143671	111585	48884	57229	150005	98012	77957			38863						25331		36351	54880	24249	33496				86339	80826	69337	37432		50529		74483	68150	70942	162244	161245	103605	60249	71940	59140	56964	54809	53315	63350	55964			20864						46122									42246				69482	66794				119128		76722	66663			142525				59341	145321	44912	121927	47502		79962			78583	156651	185670	35695			146909	56034	64007	82972	82671	106755	63455					141686	73597	98191	68906	53264	391939	53310	31526	168418	111241		88560	70687	30598	59939	102848	37544				205305	77118		32324	29651		110183	528443	40108			43599	73824	38557				66551	235714	88494	88724	158140	191080		30375	29519	23957	28698	22507			43085
4-hydroxycinnamate sulfate										305513		322597												58631			530882		47795																		107916		98232				41700									67378	1341217													106649		351503																	126258			409210			3053974	307568				191721					293528										63591				96881				77382		67179			442967		253367										81617		263621			141369										160231							115406	2172194		61202						102543
vanillin sulfate				116855			118589		405616	374135	59129	4462609	239588	48726	41615		302193	61132	193578	131247	31811			138762	38921	110685	1145235	33630	722512	19327					49391				38182						334213				2375274			21818				23209	46800	118570					1578430										28067	378482	103558	531182		1102012		121079	87649	76551	42575	61404			47578	109956	234437	79936				44769	760529	205118	627930	734447			1145471	219166	514248	133812			130004	194961	63165	1535002	280776		298306		868295		81269						39999		694464	890875	230192	27620	278966		340899		203758	232794		89344	41108	431978	22120	48074	210062		179663		155596	342996		951909	116385	87368	984226	448217		48434	57505	51671					421926	55789			285211		50947	468800	516043	111373	217660	37188			319816	41769	101505
phloroglucinol sulfate									22827	51158		160996															42539																		91901		582751		237508																											65539		740555																	36795		341883	5131495															371145		55041	50093													368158		1041045																	1140588			1557910									113992	8102602							26995	4287672								
maltol sulfate												547864															627891		327579																		327625		1669228														216202													564998		137984																	341719			248023			798270	130453	68898					219921								302653										125082					198996																	538651		76469											114892								51654								
methyl-4-hydroxybenzoate sulfate										111507		7492127												82385			896951			63006					107616							228149			164764		281853		368357													46152	129484																																195444			61002			43978	222764					34726	25890		153141						321525		59022	71087													90089				1021997									147635			810464							19606	131540				19097		43901			113185		63842		365529	42525							
21-hydroxypregnanolone disulfate																											71044																		87830		112168		269479																							1190155	105633															150516	89291						203815	171952			68226														127586													310685	95500				92348																	342281			97001																	1372348	83035								
N-acetylpyrraline				28308								126118			690902		1990675	317318		136889							74928	25730					105068		1214086	166076					366199	25239	110550		288101		434263	64052	93918					113062		45081			59363		219787	83254	192777	133911	63615	33262	81533		103908			57664				145386		77361		27688			57186			63824	290734	1085700	120685			53882		19693	103495	144702	336315	191538	74925				57391	237613		603442	47805			245485	214726		207447		445456	942428	409492						727210	171485	474484	123133	119316		58645	138642	93503	493597	348000	90229	331633	204339	149410	414752				777075	1081696		359776						401205		888324		128321					774796	87733	69334	36596	38771	18633		245388		1567181						322393		
vanillic alcohol sulfate												2743285															418927								103133												498892		4986991														29069															246854																	744271		87903				667184														42428	5932678											63704									120052												2352541			291277										237238								98157								
4-vinylguaiacol sulfate												485769															25034																																																																						26080																			589605																																39663																													
vanillactate			94888					50239	537033	898925		159555	115648	76269	95246			69752	47803	420670	406190		165920							125963					244546	145823	94492	1173075	1537103		106797	128412							107648												123919		670943		86898						87134	75223	166349	164975		201277		182573		119707		89522			57898	130071	68930	202162	157442	104624					281879	101747			131299		154468		264261	75234	124879					145477			323071		73305	619013	56659					197422		78463	97699	414333	189518	903172	783219		137644			274506	111902	787612	94482				70537				78885	93799		630765	149607	554224	249056	332879		51731				120446			151992				177963		121879		834071	341519				106518			
4-hydroxycatechol sulfate									75516			179069															248425								178747										34589		492944		300200														1834441													37818		635500						254768					125312						161897		317585	247558			212430					291080		161231					95065		86049	435866													2644309		38652		78931	51573		238680		77343		136580											112830										392031						45155		993587		57667						
pregnanolone/allopregnanolone sulfate		514339	189484	424214			374030		871958	2056675			904993	434914	359803		949736	107773	517856	1054418	242256	1622172	2612918	405732	847361	459579	1740870	79110		1139608					1110277		341695		663098	185586	1027155	132245	233975	241894	735757	921038	518962	1346500	2039836			791589		376362				142867	314162		724132	238163		1463847		87489			436121		91349	1159210	1070720	2203101	795516	619315		2647208	758317	113450	163300						799962	2683751	1739348	360939	311786	253159	336636		279921	340500	454528		1770770	1970943		842200	704331	916553					252705	595869	498314			707741												995324	1367046	5147956	1943702	1629164	2479819		640750		460866	312353				1739733	1209973	168933	305147		1064919			346413	2493187	1725466	154750	1005005				107509			2099264	186143		527663			864710		674687			771983	1983509			81655			2293771
2-acetamidophenol sulfate									1850854	121142	58899	2400683												305579	130826	199129	4039607		417094																		1990307		1866927			64044						108983					59144															2236658					62378	369686						186164					2634816	106750	376433				76715075	175787	11675124			5271235		945868	48406	598600	233507		567417		401966	5171750	617198									4803953	404601		181075		3335486		58152	224442		529180									1521313	83900		3940769		641915	140153		445379								79028				249665			1387785	2763073						398545		161210
umbelliferone										121689							54336													164267															127007											104957									71934	108793										121117		488881																		148663	104962	95628	160379																														230068	25476	45651	57924		76670		544084	242142								112346	35063					151436	74372				35864		1505687			763375		661625							159726							
3,4-dihydroxyphenylacetate sulfate									1621916	1793331	113381	195940			80048									66174		131962	1318051		91548						436484										42338		352546		386625														392935									187446				1404519		1134671				70841	68162						136092						230596	288638	5416872	2610622	95501		193167	152810				933866			54631	452990	113329				828412	482437									87213				3333115		95518	707171		602047		6750681	407840	343218					1650884					408366			764587										172675				128847			1572987	26167104	177960	278239						
ethyl maltol sulfate												844261																	178767																																																	368582																								453226													87940											586899	53972																					1974779																													
umbelliferone sulfate												70382															38000																																																			89368																	138800																																									43284																									83921																
xanthopterin	559067	381905	388254	308739	361019	666196	525917	513822	203458	132595	370699	158499	299058	232706		524964	418777	330297	305625	802275	248260	368307	464681	997267	443518	456352	278798	378130	245376	135580	328004	187124	382283	386406	207377	355946	67798	271085	328118	114933	275457	192912	245812	238092		170441	125577	93481		337159	397407	753660	188413	341364	219942	84283	217105	254890	335176	78707	189528	77198	174338	172859	179409	509252	201115	311844	41376	172878	192537	58429			400086	85192	160112	217730	245041	150031	156952	271570	300126	415344	216111	379164		93750		396978	218626	236506	274928	126400		134311	342319		238025	114888	330814	211767	58623	173945	181854	179915	272459		473094	142555	184977	213980		221877	162238	104691	89486	434664	164662	167943	163373	135852	97650	188975				168389	76951	239884	78759	418151	142670	192459	277814	246891	462615	138840	257332	78079		76357	201735	230539	311102	241432	205073	146435	831945	274206		144720		451811	239631	389426	374495	260500	217567			191262		75899	81351	467433	286941		383539	452115	450788	198164	343120	398705	159525	203150	217667
kaempferol 3-O-glucoside/galactoside								15192834														84131		6363612			1771772			783343												7502828					1198794		2273927				87145									179334	107171			419360					161815									2700718									158336																		501248			48916			678785			226310			8219359						1176528				535277					267588		5054152						46388	193586																629291	98554			69013		52487				733911	84753				2073316			
dopamine 4-sulfate																			86860										248729																																																																		211584		91416											233118			135148				131024	217145																			207413	1498461									75725																179779	50858							211019	157750	428526						194042
dopamine 3-O-sulfate									283893	147193		486378							1337807	249331					146352	962039	453739	30632	681879			17335			100826												813709		218768									167610				130222	198748											594534	148530	425531		342767											324689	47210					1175761		1135084				216391	303132	579587	304481		288249	36502	3075890	305874	236907	840069				587246	1415452	241138					69321				189365	45358		54626		97152		266461	39158	79436	6045266				72308	247685			61148	782342	260535		310277	165067	98827	67189		286432								988438	887260			388463	69321	237859	492783	4787107	1349919	2235081						3916261
daidzein sulfate (1)										39687		2725621							49852								19699486		3736238	89545															147934													74355					663663													242495																			8910190		55458	19571			613739	2478603				42685				186068	79140		64351		268373	107754								31558		24605	156980		71336		565926	34391	55914			54939		1299962							30066	41464															6165450	41277							259146			42916					
daidzein sulfate (2)												30217458							24100								7118475		2629789	302342															81367													37388					711493													122892		78785																105825	50010075						1179290	3637832								116703	31725				95270	113322							41490	62058		32092	195501				302382		28692					675337																							2381966	31043							70785			87981					
3beta-hydroxy-5-cholestenoate		480113		116921					227966	469261	1296507	2618672	175226		178483		149536	581225	930575	904778	1477144		1460282	175334			458937		361441	666241					1029918				5765468		380368		206675	393508	2172775	4888504	1425484	912729	1450506			481198						705375				2665365	2248705		325726						513574	693294		3754342		357505		2455159			219393	387944		1224435	276340	378944		6125839	855991		1203082			238676	1663723	736236	1411333	253389	1117584	478419	2588778	5212293	4696870	1569886		461589		1383403		239358	611351		3881197	301640	3456247	575246	1292235		193989		1202712				749757	1886069	2070725	1285183	2032618	1559728	1956720		1500257	329308	1722895	506809		128103	139971	852590	298375	151458	573930	243576	1932255	153931		1838901	4331884	1470815	2854259	1817222	1056923	986756	320020			186783	751587		323736	162029				728762	272116	532638	207679	286439	409523	120957	693985			417335	519043
gentisic acid-5-glucoside	54599		59460	88861	71842		59502	99480	185498		78277	148265	154434	78259	158137		92698		170373	106839				501670	216587	120319				57131				338403		119721	168593		79829	236286	117345	128575		102823					85790	44181		68171	89950	196856			190738	57706		537628		219904	107665		90903	104494						77513	37288		90019	62651	70747								102146	52652			311929	165959			129084				86030	48745			196025	82932	117921				74730			69255			142762					72068	456115	59466					105735	159918			69214		116318		185553	149057		233830	430099					99821			90701					213595	175590							116316	141633			83967	68760		269826	106266	55599			60311			54235	42925			
1,2,3-benzenetriol sulfate (1)									126471			69469							109960					298671			1017775		477242	158329					3572164				56241						196853		976869		2237340												34756	80693	2336975													2672677		697624					846694	2808973					64999						231234	154754	167951	2677497			1652828	175465	63184			459457				840337			65671		169500	385284									322018		71362		4975943	45458	737946		136672	34746		187689		1779645		347132					156315						252863	79959				50068			49802	62665	1445623				287196		277551	162971	1190056		42874		145825				61568
1,2,3-benzenetriol sulfate (2)									489807			859468			36894		40876		164952					396992			17264023	22136	463784	253773					11739352							35891			685023		17255871		27469620				46031								55912	77254	1619891												24210	1754561		3095423					1236754	3599961					250256						4501670	301553	4323527	1107458			14345919	423759	186405	98739		3040929		220862		2535877			338978		1004250	4237807	118330					70203			379517	361719	343278		8027265	127970	2450079		214705	411652		1031680		4407710		766911					338562			1776715			873744	139181				57028			83974		1699170				423629	48471	432305	615136	8146594	59393	155367	51815	213452		41388		133810
3-methoxycatechol sulfate (1)												282084															5618758								52002												409700		1083570																													528567																	1196085						346165							73014					77730			4484952																						995001										1368237																					187151								
3-methoxycatechol sulfate (2)												66663															222693			53310							77186				45586						88237		93715				431318																					62320				36414																	82247						242341					27636										270432													39315	254811				25014		176297								87450				49595	32314																				28873								
diethyl phosphate	274218	320394	81305	1146593	421565	414661		416392	100069	2784617	853790	45172	63006	537541	374351	862223	69607	105422	414343	43805	861152			148973	67078	63671		114900	116971	153910	274810				130757	110372	339693		277521	307437	355161	201286		680741	1221199		69348	1503888	53170	44725	180639	583379	419516	1183411	468729	215849	116572	86815	104097	1663594	962441	278791	483148	328344	660046		132295	515586	309854		109242		1374787		452434	125161	253102	993526	264565	367476	325708	116063			359777	812757	593008	298739	2060524	572528	546293	174660	202478		240238		512409	125130	143351			79328	62624	99723	198123		366527		91796	398444	123766	280222	277427	84454	78626		194200	252760		409885	421832		292852	387147	78199	489547	43116	626894		757170	2067685				53427	88502	279186	330110	73494	725048		904721	243956	212273		155920	54155	1433043	198137	148250	276171	346782	48375	196941	162015	226825	201592	436314	1070817	1188090	253242	1076692	912826	4942162	1455277	295665	272094		81899	83705	3163994	61472	2365139		49369	63334	115612
3-hydroxyphenylacetate sulfate							60830	146573		1527794	344929		382036	84311		104506								286841	39735		80069			111857											66349	792733						342545	44272							170274					61451	1229253	2313439		378433		90504						269168	110486	46023		154704	304339		108789	89665	448344	497795	485537						172269	70156			168310		64413										69271	92969		53267		174347				249235							133230	124955	216313					23194054	285993	44800							1751948		255184						220643					208978	429459		107802	83796	299800				271735	162065			382978	593836		136290				329014	159673		52953	293425		286366
glycochenodeoxycholate 3-sulfate												462822								35281																						74504																				395828	322301																										216471						175912	269725	370392		149737			547220									145001		165541													316568		581987			2020274			246234											129064	216010		10786366		5849219		27546							65621									5402754	197907		433735						
glycodeoxycholate 3-sulfate												1177625							179944	81647	144500																67244															69550									46071	369260	460255													48757																			82415	300673			168970												331751		195025													1339510	132138	1585909																	141848	65941		18666993				20634							96561										719239	140536	57310			26627			49709
taurodeoxycholic acid 3-sulfate												2265543							56708	668197		393280	438666	222206															456909									587316				549398										1260589	239145	215684							45960			201479	130425	695273		551913					119186	101834					644485							318415			785554				160536	870433						1156706	1756197		622581													1179953	1126436	1865671								41928									60634	61937		11755074	388621										3535210						279053		125708		1055246	134441							
linoleoyl ethanolamide	175697	8532870	444494	10498016	1767509	1211626	2665027	2637944	6977568	7752708	12623277	46843053	25107898	798344	2182874	242078	6322068	9044908	26026295	291598903	27255320	2237752	9140286	6689236	227025840	718152	10704904	178279004	6726975	5601340	324938	10616971	302547	15429951	258246314	3578835	7754944	534262	41281827	2857381	12969883	18221395	38687998	27021929	61936325	13414834	56824977	19571112	24108418	1076903		1047655807	4483040	1402227	413447	3775592	11418271	18687605	10000082	7508658	619952	41628534	73797116	6421923	7798291	58084776	17724630	3067311	8202958	2118722	10638693	598482304	14482075	88658619	11650955	133904283	3281697	649369947	7089753	3634991	2689681	3308930	3060514	25216008	11309640	24017328	372061466	1069285452	53219230	24623325	13264249		25367434	11788941	58477993	54810762	18785505	186339905	14533432	78461830	1713908416	92280046	495702325	120504082		249537466	2395033	35522629	9901457	14341369	15247564		531645149		44622528	172636335	6018759	2891675	16444594	4342160	43435477	4571533	8061879	3251865	29878730	200864878	568909887	103876896	48272932	34384644	113339225	8363477	410424446	7673499	144135713	339599776	238911	22379730	43329188	30895531	1397692	6315699	36509540	100405370	231501337	30165702	975944	68625978	197249467	37674514	112789968	65471049	87186773	72535482	5795845	1821952	1537248	10743075	23519774	5623256	4332163	197756944		6827843	5666916	87384887	17706985	10615698	27150264	7494010	7556256	7755081	17739819	4300081	26021824	8181024	150847374
tyrosol sulfate							278114	33270	37081								76672			26532															425220	92071													238618									27765							43883				81778			179595				413394		397743	79544																			107437	49356								47184				72070								729119												319455						18409	181337				47409				57577																				190350	343084	1572141		53491	80476						
oleate/vaccenate (18:1)	544286313	5157939931	2039720629	4121512965	3375201197	6691782482	7965839254	6732080607	1252329072	384695040	10263284083	3871817642	4213617707	2526431102	2933989593	1705288421	2273226854	1833936211	957305097	1219972510	2914844834	1507639513	8001345075	3294611909	4493314523	484602109	1673883277	3341117226	4872196721	2197064778	2641742050	1108150671	668877102	1855851729	2976468981	1078563809	3400429662	11123087667	3466626145	4222174386	8467722775	9107781190	1953209626	5190253994	2318869612	3145325718	8736050854	3801789175	3023264738	9058746007	4819329465	17667754500	11828842055	1985316708	4745880227	6986244197	6184895190	6387569724	7045105218	5862166494	1749719760	16156469540	8664343309	9048094341	11340228282	15931454810	18069649474	7255580479	3689714891	2981227895	4730217368	8123126000	1828922007	5884031539	2415044569	3210481049	6691818925	4676172156	3564241390	2091538099	1542383853	9563786430	388338192	7550020456	10504529598	8272141102	22385774898	2780413588	2494611533	1896018821	2917413858	9598833103	19834793033	8928320474	5105381676	4064105301	5794756744	194272093	10539794151	7450110455	13750268269	7508360118	11484257731	28318455277	2561725915	16219178948	4849270500	8104631223	4984973695	4508805709	3381547660	1054117395	2210629332	6855121140	22011644847	7280440980	1369064129	4104206394	5931134753	3620396564	7883025852	16811688478	3742222429	3451233014	2067856692	1064949901	2585010029	11228930866	1255470208	2360710696	16461369689	2417840121	1706770829	526927148	6742508792	968237484	354422390	2681851305	4023607224	1489109414	1320547126	10446349744	4381992035	5008126359	7905592848	1535476114	1664358476	16842393775	20291163271	6149641090	5240636694	2825381212	1101747106	5124833305	7669149901	1172875895	1206033443	4878663023	10599410221	8411963076	6586962518	2740260952	3143689844	8453944855	4431622590	8684147764	2357524284	3219351825	958282750	1851720990	3240687174	2696479371	3953849388	1629177448	916422408	10782398993	1609455142
phenylacetyltaurine						3733539													181474	75651		8962943	4257462	2748111	350639	330529		337368	35265	173946			20109		143365			2037254	6351703				858495	279074	18828			125588				453837						151768						20475041						182923	82768	620753	102537	186492	122722			96397				413260	310200	249597			67728	46000		289329									121925	4354635	77791	175674	34127	391094		51944	40692		682067		254111				50049		160134					56748				130122	2720402	1928455			364957		341784		574872	106500		41348		88084	35040			763106	167697				86867	39580	57157		153268						556150			72973			523616	282390	239796	290160		182226	442345						816266
3-hydroxystearate		4541243		6559555			1463635	8897246	5932674		25541642	4878645			3152137		6051693		1609406	2129692		1080153			528330	2905133	4167932			524682	10102795	4339057	6791742	2933778	2803620		1399633		3036020				1136355		922248	2712426	2656654	1232702	3711469						32053919	57008791	46255454	1994965		28059922	1769659		2663554	29659709	89108166		142989726	162812246	1815623		1028127	2257991			877969	748869		2261174	1475028	1201125	1124635	2150915	630274	864387	30670095	77139973		1471915	997565	1068691	2276002	6573428	11175940	5290745	3117709	2612094	826882	965658		7450483		5693603	5024669	9264038	15615501		27977366	5190872	11344341	594072	2068418		2073463		3970863	1095420	511207		6362800	709406				5547298	1329026	561517	1368834		584575	1052080		1458273	992566	604329		655889	385661			927366		65595405	4119613	705830	2731149	2458701	11306960	6068540	8608321	5350549	3213184		727048	1703095		1832731	5811560	16723514	6367016	3381268	1078683					4240710	1249599	629435	895672	674377			939547	1155362		33776306	921279
2-hydroxylaurate	357863	296093	477617	577247	1037871	421123	322067	690564	120757	340467	290963	118619	202590	262388	214432	580967	525736	218382	123129	101866	106153	558394	227974	217267	262542	348128	140447	312856	113994		404819	449121	518055	757974	201324	2340739	474999	489079	293580	386685	690075	422398	141793	639747	227447		242132	303572	278302	432303	423483	238302	477326	1218535	440727	421327	469009	543461	1067278	639170	1903196	142017	150443	539379	244879	771702	185506	598713	513837	528473	454377	645719	200721	306669	461501	156054	426679	142520	438454	960565	798887	473130	755263	533143	347255	400829	303917		156767	258428	147824	519205	694735	2858197	114128	217282	125975	164278	361525	246494	147792	260384	319145	305752	397420	202253	376539	277066	518672	165738	294615	791955	159162	809148	241785	237845	282719	507526	321248	224358	120035	523374	370168	205332	173487	219034	157906	553932	277629	377744	182792	791642	259057	317347	194848	185320	1013487	162616	381088	495978	133358	858271	284940	208047	111578	301698	502041	271640	114397	220391	197677	253116	275654	222096	367505	623115	377339	318480	742104	1381164	1226716	1870331	596596	989939	465284	203594	257961	278595	108967	138116	141609	355687	157767	275262	386714	594428	586386
1-palmitoleoylglycerol (16:1)*	237277	1085046	848931	568996	324529	771224	545163	1027287	227206	282020	10204807		588577	496222	560939	470561	835544	867036	329864	219590	1168391	550219	731500	303698	257749		324534	233789	224440	237283	71992		298074	553070	271776	1179873	1084802	1698858	556742	392297	739399	1095980	386514	682208	542371	1041507	907656	1771106	634428	1175520		2275463	185119	513098		428425	888111	1308668	2350449	353652	469929	4033215	840787	1179724	670800		7036411	644784	1018778	596698		1311894	397536	1091808	539622	617547	935287	677775	1687636	749496	624157	1116068	422962	469244		1187045		1131340	449593	652378	1104376	1394903	5610378	1168457	852674	856712	8233909		4312697	1962563	1642306	1541711	2228519	12355919	480403	3683122	544493	1350126	1176345	1287636	1434615	348915	416294	2029759	4000421	1267882	360639	1082054	957920	996968	1529543	1838715	631420	1398599	537769	431420	1244083	1730738	621752	524710	1492046	1038005	572585	199519	930594	401814		538181	699934	325726		861824	457773	402678	1261553	449526	551012	1860364	1888324	1823518	1722571	456659	323490	2770548	1635857	304431	448368	791749	1930510	1232290	539097	1204142	508324	1007229	1177443	2119394	446211	2411346	422438	509932	1846252	896691	1022368	654943	420555	3921280	563583
phenylacetylglutamate			119617		137792	433433			222358		44390			142588			63717	139198		157415		55613	72994	50479						303165	176467		1716658	57881	980851		97465		4808186		11881515			44524		75606				181156	117603		466995		100077	323750	84792			86840			61844		107901	2340208	4177868	143260	270671		216033	438400						96105		449557	1038236	78087	62436				69525	266286	74571	92976	45142	73968	67812	79854	439182			189983						55348	2935508	334053	11647170		67665			1546571						77740			43474	808610	102749	2883014	381556					212432						117031									38084		231067			173666		156394	852527		677266			88196		47727			2150657			111251	513302						63533				
(3'-5')-guanylyluridine	25360	183833	45117	186796	45694	458383	44014		24928		43073	485009	648052	65694	365482	259791	365999	631528	94024			168994	38408	37598	103985	90740		28348	130765				79743	35134	593186	151338		84301	82598	114956	79597	62617		128619	68126	37121				387895			34015	98863		119455		90513	239668	355695	71899	72225	127854	37710	141120	77458		110965		56040	35787	48299		63610		37435	242126		107326	286706	262415	30886		100887				736682	230195	623968	52509	41588	99700	105245					44053		90814		232765	88420		396267			104084	43249	180011	50293	562015		140216	185632	44329	93742	471426	38345			51884	64745					241816			440338		137914			100740	180577			31816	87527	212250	277786	139321	67894		318331	359848	120362	169071	63595		422055	315106	70751			89702			106511				218086	483249			70327		162996	31309	129109	200385	280373	
(3'-5')-uridylylguanosine		154913	24222	298053	95186	549061	192042	168926	24550		155006	165625	600825	176450	468432	312756	1068302	463882	166984		35498	142981		91367	119081	125962	71653	100165	116042		35676	23405	155367	231059	779769	507371		36753	144143	143324	170574	144550	34135	129520	54951	72743	28606		42807	255503			38526	54100		459507	70433	54379	191703	209057	192489	86305	174072	110084	219538	220703	80141	95225	136298	184712	61310	36243		81756	30961	142292	251609		110732	317765	322107	48585		104138	22708		62465	118925	107395	814835		31007	69087	343209		31179			100889					38910	127818	69841		117102	123054		126827	101263	181251	38234	100414	105249	60428	114352	645052	91655			188158	186454								376570		62830			32343	109846	27814			87539	71007	581413	196362	165710	68139	90084	44223	97550	120606	175788		614858	409476	48880			107727		44494	151285		40669	90650	293189	420142			211062		179997	39397	107664	240512	233108	
(3'-5')-uridylyluridine	77203	365733	83415	914321	346377	1319315	323730	358894	108668		429909	574199	777522	414132	1073509	757806	1679226	908506	145250		136599	226867	57047	162147	291854	333634	96792	214557	414686	116930	175185	42075	498329	588659	2259061	490202		162921	311361	285023	246221	246431	83231	198267	93121	137304	89275		86267	666562			119484	222880		807389	132865	147326	378245	846076	478441	134972	249308	323450	277775	987203	134027	161484	377624	214464	94224			130469	43810	289028	404248	41324	175452	474822	488455	141950	108542	402816			167031	549934	326768	861611			140941	592535					81145		132980		283852	109346	332730	240559	98083	248199	130229	46893	135768	188254	406622	105641	283810	324317	84667	304972	567405	158185			277572	254930		140888	210903		98193			299523		110883			70614	137124	62069		56229	253458	122964	962496	463435	489618	166022	205158	235731	103978	680156	311765		919633	781112	121934	37838	87251	194753	79946	160768	229230	70624	164699	321790	528393	484057		31188	268073		317826	158248	208580	588634	398772	
(3'-5')-uridylyladenosine				77177			57114	21455					57782	65285	57974		577483		56403																34919	60765					38092	62173								55906						44799				38991			43917		119421		39342																							140190				84217																								22511	241196					50575								48421		24641										469535											61976															39612						45560	
(3'-5')-adenylyluridine	249722	1054693	589899	788348	321218	1671353	235012	179203	181103		277956	2439336	4106587	121726	1540520	1126177	1708168	3589103	518225	41497	119835	781316	256306	264575	885821	1003345	151434	259639	637161	164846		35570	822479	146434	1915221	1028217		387496	564330	1244433	377930	282648	137908	747050	164828	379768			68498	1603238	113104	99833	249317	487470		722339	351589	487166	1082404	2055946	449233	327744	618391	267469	839488	785485	208161	815314	183265	431371	224429	316811		672417	67250	266428	1436014	228231	382200	1783819	1750254	281936	326209	487647	127520		129839	1913881	839595	2943552	223847	429969	695434	626151	68791	192364	45561		325047		226037		379807	292597	100930	1170946	134872	135900	569677	171495	871937	376291	2037186	154730	655994	922911	219102	529946	1964877	344891	81601		568348	350456		67087	56113	52086	642407	106514		1755744		539620			407893	625953	66373	148803	51410	383670	776749	1112056	581495	304824	83810	1690803	805727	947020	703294	249422		2283855	1295288	318659	66733	136491	645365		156638	964355	64002		121156	734710	2465634		114477	276806		686410	66528	645346	1135471	2043016	
(3'-5')-cytidylyladenosine				65874			102546	42903	51884	86791			53393	58333			376797		67494					47552			109074						33959								51930	61589				23770				59357						20977							97680	27769	125060		41337				27769					33895														88122			39976	100408					31025																				197784	108878																				38464				384581						38213																			57359	45060	43411						
(3'-5')-adenylylcytidine	61239	210219	183310	216969	101574	342291			47736			610302	683654	50804	370175	205475	439832	763189	84232			135243		39249	344048	318993	30680		227188				191509	77379	324737	223419		70408	120750	502997	156089	89078		139812		115248				453931	43481		42862	177623		210007	76275	110936	334073	649119	122223	88770	185551	80670	234726	328256	55761	248144	68833	146003	76440	73654		155762		108663	417881		174594	445844	419369			113180			83413	552417	287161	808253	44027	95091	225935	191286		49318			113286				391630	119122		492132			134138		179987		548908	76676	71969			152924	462156	66751			220829	138519					145744			477467		129085			132563	170239				77521	202349	272714	124973	102283		308585	195702	157292	190397	62903		563992	273666	90176			137050			334834				106604	655649			73398		230685		167796	409314	616244	
(3'-5')-cytidylylguanosine		99710		238124	91637	488027	253611	223086			143638	147597	410646	120720	395669	242168	683804	260626	103392			142434			137675	111768	58432	79361	69108				127206	124083	545360	272997		60006	76708	86215	141646	107486		96455	32198	63469				221147			43747	75752		285823	72817	32923	250980	328168	118922	99174	216899	113382	209592	351921	69680	134596	87712	127628	38492					69175	189913		102808	263456	235634							38128		589648			74654	197335					76863						126447		31345	59143	108721		62802	40489	91950		42447	45941		98068	533313	53737			133061	139699								157273										59023	43203	390892	145905	145127	69400	50752		85405	40119	119500		253739	175391				85873			79802			78706	207501	334616			113489		97031		101247	168688	259448	
(3'-5')-guanylylcytidine	19971	126331	48469	223656	79143	318576	60621	48511	34856		59241	270744	486062	63973	427151	215917	410457	566347	39333			106287	22262	53620	149997	169769	56865	43549	167993				124497	67145	532535	173711		81868	128460	183370	120052	89677	37859	98433	37720	63719				426969			37878	107789		117037	33039	81257	304485	398472	83384	75164	110301	67462	206812	180443	49688	122939		115581	65326	28367		32182		46509	284344		147585	286751	248160	47816	27508	91157			41276	485504	201549	724842		42635	181889	168943					52694		68594		505051	157751		516837			97997		117835	42665	412827	41014	88257	172918		150109	258353	52879			62587	88925					126926			438548		178583			139477	139409		42296		86821	236643	381453	132049	84525		287620	275532	57195	132448	56054		439674	270040	62697			68749		36923	142624				123305	425808			99481		145012	43395	83848	264763	284880	
1-linoleoyl-GPG (18:2)*		1346688					453253	405835	201216	120925		1748482	211788		591943		317314	274414	545613	564467			429394	426537			209507		191013	365777					1223769								257260		385181	1034374	576714	147998	1177047			2501159						719425		5775519		2056690	743901		628767					109693		442343	496750	220206	179375	592954	146937	2122043					114687		678548			519181	1040867						1501766	2206077		339524	384319	379269	13499935		2748938			382290		958412		494702	324088		2811081		350804	1090857	247822			122978	635715		807788		378117	381620	400579		1405911	657059	3839905		148432	150765	192734	345735		219013	451315	204565	189204	398957	349377	191281	1082997	542721		10865519	2519195	5383085	1053038	953636	459003						7328280					281172	318822	844287	628591	443757	141746	169674			201914	122572	282937		
isovalerylphenylalanine*		81218	131842	205628	2345207	331053	49491	132828		31253	122436		109036		58817	79409	159026	38401	167132	57053	85596	100248	72618	61122	145946	1640621		48233	101142	45152	2408806	254252	3258508	381984		488144	50162	160592	63447	51284	47065	133406	171956	68096	71393	53280		56968		521866	161743	449879	408561	771245	191783	185931	127015	151863	244247	289350	35023	38910		183581	122951	71830	305431	211433	3776085	94113	112701	68676	142040	54969					84709	33384	45585	107111	130671	513318	76428	550626	163298			79872	34225	126035	61165	77644			33861			678574		130906		274601	137853		549006		55052	55155	147435	208226		161479	134176		266447	69859	213061		1079017	83523	316210	65170		107708	785746	445350		69890	254469	36984	90954		683284	50651		243850	27315	160047	170688	367060			427936	45772	147970	22848	170574	58404	366752	142152	83306	76956		52941	200667	288173	91997		43628		244509	62963	164083	359364	373737	108514	101035	94456	194400	205992	330395	286643		67016	103744
phenylacetylmethionine		30426			74747	118374							26678				33014		31692	37374	20917	26381				49788					634676	39983	1498367	45677	181162	179319			48098		37470	48058								149567	44439	93509	78765	33908	44940			22293							25584	22120	45666		487504	47258		25786		49319					33400		36556	24212		208820		26734	135590								26656					160122				87230		37659	65746			25356		50726	85996	44249	42004		58394		66906		48274	119687	81882	71419		57349	123935	63436		141661	91100		27205		111064	66479		34982		147034	54183	53241			267807		33283		41398		125617	25135	74700		31525		19585		27243				137234	29855	32530	138251	164525	54303				49453	349643	41317		29450	50192
steviol	995484		23304198	45939791			8017441	623067						13543129	166304	3483604	18966613		31679738	43935627	103961	1013986	18385817					9297464	146978			809490			430257	78294157		57521240	188129	3234244		297617	1025118334	8983289		185559	1368065	4482963		9662272	6747686	25414733	3706446	3785101	521163	243519	869636	5123482	385593			109052			350987	1208315		15655795						393842			2690591			13570791	15754288					2166691	877667	63350038	30158484	61250812		3243607	18570631	2432446	12132336		69270960			2227070	2958610	801594	93071102	51890664	206168	16320888	616690				976032	7338690	15687085	1283574	239435	579376						309302				710856969	57794881	42981329	10032434	53421889			965198	10101507	151454			42844929	40115170				7932255				421637	21159840	55813682	8620193	3167772	2466549			117639184			957696			163059	217493	14165553		3232501		518882		9648991	5627970	3044966	398989		68131728		1371841	
stevioside																												2831466															196090																									907812																				18513548	5539954								665182						53736920																									56770																																																	
ursodeoxycholate sulfate (1)				663435	168751	332379			3851736	16468489		265093				117686	46550		105841	1495983	205646	18932836	19878408	29753124	125859	207052	945605	82768		188050					8781268		65534		13636874	516764	13891994	642869	67668	171682		341992		9402632	434747	118349		6531130	122895	3513995				1606305	1520599		60063	20635082	28694816	23722388					119084			18727793	24169489	69565596	30684835	24577646		33277079		132717	140885	905111					51456	692224	11517965	6145721	436463		137116		2413024	27719805	77670		22942697	7199151	1807179	2731083	3713162	17283942		383644				12270357	1591876		16207257	180626	144098	4503597	3464992									3229517	3502591	3496027	113164917	62944835	33910142		38510552	1584956	56737277	1110899	62402	108767		76314196	4856911	43797			10109551	150339		12771491	17632916	16099662	403265	28165436	576704	120347		384622			33081886	73020		2244041			9801866	62745	17768475	3547021	13763182	532909	9343711			247163			4439854
furaneol sulfate							49137		128831	118942	218929	1261727	132366			78981			179272	196703				74901	111480	303517	2753050	84533	355008	168172					2000417				76134		466183	102851				42024	11346094	304058	8090318					99762		51045		35556		78999	88133	279340	1456339		45028								99221	1608289	625086	646883	189600	864018		224105	362885	119311	55757	152661		24259		42679	835004	331510	206345				766651	673520	1373115	1858186			786279	502686	1416102	655759		3345461	142849	1365086	606295	2261007	199558		450272		1523996	1162252	1489963				37932	203723	89754	812500	482800	1435315	1057053		1160545	95009	31514		980021	385526	85561	698396		615771	70264	69383	338031		267662	46103	588840	532013	29597	484463	304447	330248	1140529	314137	2128116	94319	115528	106951			28378	43277	1586816	624718			176986	43631	389055	95440	2747608	296483	91390	109779	91836	138652	766376	188917	335371
hexadecatrienoate (16:3n3)	394679	1864156	578488	146344	273658	4872043	4189001	1714252	138614	437345	370384	1896077	638259	1347260	694600	5904748	359884	373167	888181	872927	1494339	625678	55422832	1472927	1270921	881142	797898	1169588	1538614	1373608	191554	83064	735165	465053	1102468	813631	73327600	14940441	8023790	2089690	3736836	2202572	1095791	19047690	2389347	15466494	11804128	345912	808582	1115526	314448	4511459	24977871	6654202	277821	595038		658042	809020	554371	365121	35853727	2200853	1105507	721630	1212070	2227535	1898673	1549234	13177238	6348763	6567766	1915230	27085311	1658713	5398760	1742719	843607	1569592	1931117	1344843	4799618	525366	6286529	615227	519028	19529342	920706	841305	932483	268625	1628025	894722	665471	1249277	16509836	3842086	482022	1832648	12583113	390857	3928462	2232256	3125303	134915	1632440	411180	10419194	376068	587267	435337	1203081	414046	173186	6601521	2007231	422530	3333508	996908	630318	1490038	1084895	2784735	2096084	219073	438523	581689	5755362	1301440	28940743	1772359	2027119	11635619	7505243	2268173	18193010	742492	27072212	743071	236659	2302091	15161380	14466863	1024078	1414363	1002539	958941	345953	4966488	503256	257928	651495	486439	999857	8955738	376988	432201	2376223	712197	5643958	2528298	3033063	3744637	13500984	7526829	18471113	1928737	28222365	1053945	483250	985980	1357330	3959614	1627696	839980	810635	1853670
hexadecadienoate (16:2n6)	2675615	10840812	5151614	2919647	3435990	13214791	7352773	8270440	1339436	3679483	14703063	5219879	10398425	8967104	8239761	12214839	2716262	8754313	4141383	4264062	10057116	5328712	11381298	5899996	9377321	1864876	6819803	6979282	6618387	7419817	1599945	620518	1415106	8215557	5929828	7978128	18649559	16384264	11986757	7962349	10882647	9843460	6292245	8917210	4661480	20898019	10868701	5842798	4305694	6976456	2096512	21204270	14686669	7696744	2384719	3783010	1997309	5575953	8244924	2796790	4222786	18079756	7216430	6411521	6598205	8403293	18958521	11380731	9541896	7957148	6905820	16009979	9295231	28834380	4416809	8237492	13588730	6587743	9469270	15642784	12205496	13530340	2756352	16230951	6701362	3254719	41972161	4296548	5206800	5206079	2852197	5914086	8293192	6371977	5958354	3491732	15559192	756309	6815119	10796186	12845646	4207263	11938479	54142368	904716	15738909	2436584	20292401	5218933	6182915	4416246	4957611	2927814	4413268	16970181	10941741	5947923	8251795	6207179	6931294	21176980	15589652	8603442	9210048	2834688	2472730	8317591	24344605	7937267	6014877	22529179	7087145	6086931	5283442	17221882	9290609	10048631	34663257	6608625	2905989	6240540	11659939	11255486	6376963	8334607	6197066	1944661	12633879	16866107	5419860	4599824	5055298	1831686	10836729	21102118	2578030	2244777	8918551	10612081	9120530	15465138	20556486	6732185	11252169	10988205	13971543	3581096	15919652	7379718	3484800	5635527	7096577	6178724	6881407	3723547	4974553	11284252
4-acetamidobenzoate	276608	96371	394829	236412	134348	80449	440083	587322	139862	265939	687755	419809			95821		296352	188094	276331	105073	161755	624948	1018094	350739	191717	174825	185934	220401	93755	164941	796724	169987	178114	582073	311343	405215		106036	265628	1606049	2061595	1154806	199273	211593	182026	350166	291678	444570	301889	423565		112877	124643	241436	91685			168292	467753	136147	145108	177766	256052						80532	277583	418570	161762	208057	501443	194618	271516	548429	181532	392352	292676	389786	580457	437916	552388			195017	124640		384690	531894	251319	304810	904945	254281	77391	386436	140567	242105	619690	122377	124798	88978	440301		275142		243938	360212	87253	216545	328154	219229	383791	389312	196970	602443		384182	923299	184834	296199	626518	98581		299981	152810	154722	262986	177022	180893	257812	150821	229109		466173	163272			414808	231326	333805	343323	263429	317688	300749		533155	214703	132638	329410	154567	173714	717482	489354	395618	133194	995295	223859	287527	410079	349492	1136473	455531	317011	471713	356577	326618	709166	232595	814528	158619	641612	377643	105342		2598721
indolepropionylglycine									22428			47393																							258474																																																												35440												50092						50724			62153								741129												25419																											46853														
2-hydroxyoleate	4695207	8487742	8571961	14494463	11090781	23027976	12835028	17161131	2355109	773268	13009606	2842978		4210861	4146211	5462276	8361852	1957790	1599266	1616532		6140297	6140833	1863167	17569000	1875832	2627428	3281448	12025985	2902412	9614371		2509151	6152569	7533461	4526319	7674667	25614863	2479404	10552784	10288780	20185496	2808273	12934115	2256662	3097732	9287214	2766442	4285340	13712414	15836283	9582378	9972800	3485717		18997502	23949549	8936947	35656128	25382816	4673805	15527883	4036903	23481449	20747506	35377665		30705404	4154940	7572005	12935280	7298151		5183404	2437821	1860176	1384379	4004275	7834341	7759145	7152719	13387963	2679166	14152556	20689234		64138937	7800245	1707123	5200287	5740280	22627588	36146868	10996714	4586384	5023253	4586139	4573904	10003697	14910424	8776541	5993518	10345841	39367524	5418886	13783418	15315530	15386530	18823465	5048566	6203556	5756932	4338166	27664284	15523928	4660917	3355407	7088256	6721685	2400849		30488983	15133095	4774767	3847449	3504884	6292349	9239205	3629059	4841652	11048310	4989297	3817409	809940		1376412		1649738	9244259	1273499			6095957	5785191	6680428	6651395	5345610	18416232	46304479	8940188	6750909	7410360	2496406	5288446	17861187	4523124	8725631	16451014	4131287	11331152	7190659	6554215	9362583	3813901			4461006	4454556	1842396	2317371	2576187	5159694	3162059	3378163	2689498	31088162	8658455
1-linoleoyl-galactosylglycerol (18:2)*		105424						128140	233227	83246		479863	371266		1976806	48635	206476	818239	256619	202840	90722		887611				344043		93192	68840	107763	74148			311117		82781		208038	93848	81356		150068		90232	232958	298824	293094	784712		62117	589231			67140					2361195		897436	947138		199785			236085		62648	278994		1367294	478451	352893	182613	56188	635133				627320							250397	49818	125354		298934	149874	464892	470072	579782	118835	537003	591000	700237		279785	1231271		988381		1109900	91649	153702			3498427		250456	985912	1229522		148314	61212	145742			355227		70703		7206777	284270	117199	1422689	103024		44989	87270	90470		169557	225246	167781	102227	151832	671850			324343		86496132	4010420	4461342	155841	534742	84003	144838	105058				454970	235845	432298				201078	477437	192213	661614	137165	110018			146066	75725	125746		49605
1-palmitoyl-galactosylglycerol (16:0)*	132794	229860	671395	732210	173664	742734	814228	3387146	3570780	2368967	2841751	5537897	2878201	1031867	1691876	1305384	4388740	9051576	8841557	4249902	754470	709869	9046807	2468457	616793	744777	1687554	881322	5712678	1958903	1635833	412991	996982	360464	3883186	963167	1974924	1461154	1411497	871159	1539651	2326892	1231562	1063110	3031368	2327966	4000348	1228868	11921685	847550	1621335	2089496	641295	903589	777893	1866214	4775877	3383361	1153716	4336487	235388	5013982	6316226	949928	6167615	1832201	1943904	3950509	297365	840302	1824114	2191112	1398849	1694362	732710	1144235	266173	2410809	393136	352110	390565	651245	201577	2079834	1747173	1675890		969789	1689406	3164705	1964576	1618306	1638553	725935	3832233	8929374	13523039	1114237	5350087	6454744	2214455	9938671	2007079	2945519	993114	2752738	975565	11915543	3963541	2076970	5255573	797394	6844435	362496	2799904	2403037	1434786	1471437	1457553	2122679	1901174	1792323	6471004	5149692	1338062	2844324	2725405	2250131	2193552	3282629	4148059	1065249	1883448	2337484	338069	4190748	183662	2998075	3332432	3272244	4429134	2268001	6173615	1781243	2793454	7743549	992207	22973791	3804525	42974479	3078766	4858399	3130460	831216	621774	4733634	947869	933444	6879208	2609063	2557156	1484351	1148090	482359	2162976	11591186	9472552	4091234	5104812	3867142	3318149	354190	2486638	3627056	969213	3584295	1834312
1-palmitoyl-digalactosylglycerol (16:0)*						299100	169977		1066423	558004	404480	1462432	392787		639304			526819	653739	1696872	374886	60874	1039386	232522			207595		210889	92617		80742		77206	3199674	96469	1478297		344436	157977	730728	387912	588330	516415	1148677	161988	136326	1902491	471456			2328351	137538		166024			1498849	474062	2383601	199279	734001	1085792							52547	559487		663695	2112239	494303	607786		2725172				1007978		203787			652705	4095448	1384777	159664	391821		504231		579716	2154070	2155176	7821022	1223820	18951020	5741284	1166925	1438031	1263398		519204		770372		295989	127148	114773	2816512			708494	484392		488095	416895	1139485			123630	556690	863849	2907270	7944894	643218	521868	965599		603389	73396		2002853		413058	545794	661595	204030		352759	731048	434075	408743		16499139	5210898	5569657	1031252	514008	445586	145159					422353	116497		197324			229305	597741	268426	1047702	404683	693353	428117	59077	728779	118223	206911		187155
2'-O-methyluridine	53892	61728	50746	229599	94556	213828	171586	187920	188276	262275	478687	37914	604947	363174	437261	624123	268214	483758	498169	443720	175170	70348	124686	298593	175561	290402	180362	39494	164479	208257	285646	57371	812298	126875	188526	889599	47957	222833	160779	212750	382688	238271	143795	452654	141457	315323	229283	390448		380155	240271	407800	371478	223518	51315	472574	420395	407941	294822	360791	617377	409883	275733	379418	538272	534408	433722	379925	510759	230693	239401	347492	147328	363328	450794	78751	261519	288186		254827	277506	223058	409257	461535	403428	395750	107511	63067	146002	438735	91979	486514	229985	352689	64548	124623	184715		544888	270940	117701	551854	91552	159616	375138	117176	356035	226507	529937	129799	434780	272645	94735	91600	264131	165992	300825	379089	649672	582027	347278	355063	1004279	565205	237720	24127	186122	220034	184034	300701	118301	377323	197945	165641	168853	298850	228815	459051	359186	413843		183942	163205	251601	107970	311359	288423	52128	284098	183308	135278	161902	159128	361657	332072	239211	326138	269638	477975	273786	94015	398688	147249	406438	237657	237127	323218	96311	143639	200737	290672	214098	242497	533248	154783	267583	367079
coumaroylquinate (1)									4138005			52440			94768																				125800										469503																		31265										35096					27947																				32245374			57048		36070										5431460						29309							438478	537436		93478		99919			89634																															37291			67869		45381							
coumaroylquinate (3)									2511166						80366																				150062					12245					317200		59797																																																			16255377															2371475			295978										181263																		63230																										46002							
coumaroylquinate (5)									1185994										196144								151590		119862																																					100495																																32341951						140242		277682						122621	454008													107684	130811				190964			89454		120606					409623	286277										166444																									
butyrylglutamine/isobutyrylglutamine	44884	151732	246228	134666	440343	266969	104679		220501	841358	284529	749815	441446	195382		679114	457036	526265	265891		424331	153366	187877	264636	73446	182483	455354	194166	273861	368929	492458	71734	1882043	125995	440669	326264			195177	304438	337560	189570	165998	264108	485118		91696	372545	170767	521915	156568	302110	78683	247806	81787	77533	289944	292690	422950	111641	106916	148223	90865	200689	307419	236243	186214	429888	1187453	454538	329146	516324	304562	744097	268332	184190	166507	250080	24970	189026	214566	143312	437263	845803	278475			655272	363650	338621	142738	204515	259548	477648	637629	267067	703042		217545	302777		170786	355009	1034287		600348			198645	267587	337592		533584	329390	867182	928228	302223	173258	403041	52554	421354	322901	503673	372102	143470	227828	385692	309868	442302	341669	579427	142232	259624	231118	347378	167658	69410	465534	644606	1102122	157794	335968	166867	274444	639644	61491	132170	389135	527946	389821	262014	306209	518558	324270	418942	158137	406021	746812	113917	446000	481128	228978	208405	338516	335569	593921	836939	131233	321635	310289	377330	267228	646379	475286	251068	266101	130090
2-hydroxybehenate	377432	8638645	616584	2946957	440085	83076094	89129213	86628517		48863	60116132	681332	2603268	7905490	342560	8554264	1463659	1425512	17310542	16652811	5993959	503477	18467455		76067440	20464687	173270	57595398	93956	38442	1920995	920716	929791	89599	68562562	10875310	645505	79997811	50500727	2646064	56184273	4844664	2996760	111558851	8983484	29012344	43151932	635940	3391460	3362998	16756272	19297913	19562624	19120412	31170111	15725445	361547614	942437	198532815	23588986	967126	1400904	25444204	21839904	8566900	689632042	240456543	331635851	693303	650471	1290924	160471	4671156	503701	13335845	244138	1244857	20531755	22520431	4609043	13848441	40177804	386929	39117215	366015725	179438270	10121909	29082131	39733	14455713	1097542	19685918	162686014	35944225		196665	12708177	4061472	4143517	27852101	1837306	11181534	3237078	73211145	20025020	5037052	133756420	102774922	94305446	3577831	6361271	57889217	98568850	164790964	35223117	33710657	8771868	23943907	35546042	4074499	6873200	49934208	160921283	57132322	10695063	4487995	7262633	15842392	1974341	6568429	1809986	20848477	12566407	2650654	5256820	2572800	435027	8364385	78364350	1821052	11348142	75249647	160490481	21152852	26351686	79077849	42730589	81645308	47410246	55654312	34575295	73822999	1897002	6738085	34415060	12450588	121922608	212445785	15238008	37653841	32936600	29416293	38323072	23830271	7089533	15658343	5571478	1759266	15412454	3605132	6948076	11261648	11435990	22336604	11807666	396950977	15120480
urolithin A				2946150			3002839	64853225	278360				11240333	51569					13406407				867418	86126	151620	10950367	50883270	1697179	227017	65441838	255012			75086	777142	59220		143676			405087	64230859				4599933	3304275	7349505	2670834	9445608	21946186	47042	15353292	182802	78945899	88313	60809	456865	1307090			28959663	13717303	85623	33172513	9581791	18501776	1450677	42339033	295436	437835		63170	4205883	48558	700097	110471									448145						47811							6629043				55474		2006987	68217	112443	3195679		20692605	154455	249942		61444	720539	511424	4687950	58815147	63674442		145111	16868762	248799	770394				1351680	13331211			24846367		33900			49690	144539	26762	15905559		115351112	588467	103603	17241967	118616	6671394					16165622			5788936				12355725	46403020		2355584	26280524		1217757	7393166	22738336	59099		3920257	3922047			34049814			
urolithin B																								31939																												35428		41697	26698																																																																		20969											57280908					28493	82931			50276																								345074												
isohyodeoxycholate	738562	1637485	1125888	706247	963283	510454	1032454	687404		727366	447974		1077107	1093286	173538	2230790	1695292	1202869	726222		946771		2603175	346965	840831	995523	629729	817467	379338	746228	1219006	585326	1384468	1131309	1212652	804951	1134610	1070590	1616046	995553	726893	519451	3751007	3101585	1771113	1133235	897857	994265		1458561	993902	711222	1172346	1187054	796622	1309264	658659	919841	2396160	1080766	1065469		302291	663040	1181046	281809	880773	1699471	1455460	753122	725199	1250701	333684		1347466	679516	707502	1735137	742417	629398	1640847	2620452	1785969	2451764	292432	1790684		709935		2180340	1628210	647222	787311	2150415			756488		2965835	518255		768987		752934			793233	738992	716944	420155	1036148	1281086		3001133	786888	620630	837604	915333	2290646	1138423	1125329	407085	986118	328933				593533		561845		437458	723223	155708	817144	610445		678882	1317335		397085	1061867	387901	777149	447433	615666	2199455		463874		862591	1246636		846374	468872	1101190	1871471	1239676	376116				1615975	1081475		2009445	1700145		419637	1620783	1232447	528196	657553	1425505	1125818	470552	927641
1-palmitoyl-sulfoquinovopyranosyl-glycerol (16:0)*							308615		416451	592095		348809								159496			2306183						916552						1502021		1038747								298896	544245			455439			3858147											1396131									3930231		1127065		135973		355189																	277386	1202159	2278714	816179	707938	2833071						778751		1103692					3002088															2948451	446486	271911	4386292		539942	440454		433993				290052			1714435					3136275		873959		196529	99773															2823414	241844	1729932	367393						270568
valeryltryptophan*		18846		100209	370139	41451		117777		108581	52047				114315	18743	98577		182817	124679	160533	27207				249699					65307	61156	407979	34386				46469					94283									88115	40173	105065				93845	31305					111742		107240			522765														123702	287811			128317	788962	53151											97685				153416			138979			240164	960837				331828		495086				147150					101233	94902		35596	81761								34643	17178	228166					55492	41336					56335	288278		39279		34175	38324	49489		104497	37376	55776			45848	367045	176173						169475	92134	114737		
2-hydroxyarachidate*	15630913	18485458	22622109	58978194	36063457	77775827	38302846	80334168	2291222	587523	25944673	27705115	3472610	4743891	10013165	5924415	33190796	2026134	17858287	39340158	7396590	38860466	33746912	3561519	109590188	35190094	3191046	34236199	4573258	3975949	29072880	35016713	4956610	5574498	37865717	14454867	8646314	114083668	31251519	52100417	62521982	48610012	5595631	113010322	7837500	20437280	44857797	12956144	41984574	53124295	83132543	37986047	13336036	22506335	24344204	230314735	289417023	7679854	187222487	270886207	9903891	8190054	22195247	171373665	151627481	948375522	117758236	340327359	14958208	10542815	16393445	5355611	5668652	1308543	13306141	5347011	7225199	23725547	24986793	9335303	10219371	41853203	14276963	30577840	192496888	127202196	95968661	39566546	6796726	10721648	31718194	219282893	206776407	99468555	64755562	18922030	34012238	41020584	9421640	22629018	85792149	12951304	22284376	78235793	53670892	4945552	133172405	190445148	70006347	4233822	5803661	51302178	57819812	173903609	45496321	38371748	12714371	29684173	53816283	10828191	8742968	110265086	178428815	132047364	23415910	8435880	12484554	8519586	2910669	5256162	2431750	20774493	18879351	1665187	3388426	7284588	699697	4888324	97068559	3573751	23391388	35553643	35371392	14255383	39353455	59554437	42783863	55579427	90384340	36128769	54027457	71639772	2915804	11869283	43267798	7598031	112259178	118958485	18782708	55043945	19676993	53089455	47303098	30661829	7343525	28761785	8871000	2283497	22413634	3644045	6331634	10762847	14707846	22435747	9526235	378801743	21238019
3-hydroxyoleate*	772725	2684956	928680	1940536	739245		1473544		1365386	1055905	8894505	3470606	1334448	1149737	1955831	752162	1942973	1282203	2623984	1320517		1362659	3355329	1372371		2485837	1193837		1147489	1743868	4672970	1925446	1768474	1334169	2246195	1005982	1836688		2040508				2258220		2127979	3147731	2793651	1348920	3800328			6406285	2363790	1667394	40432818	22560852	7086102	1945787		4639790	1581509	9695159	759890		15469261		92455944		1466434		2921535	4961472	856428	2201749	1210537	1375565	1095210	3449406	1653373	2376174	2292200		1011717		12966674	67674730		4390288	1607166	1341039	2181107			4894530	3651446	3154451	2924326	1444653	2228407	5820538	4576115	3507349	7567186		2950029	4254249	3803928			1110843	1625386	1059403	2365288		4056917		1052971	1134477	1597096	1176854			4403659		2186497	1520551	2028497	3492973	1275102	2221285	2940240	1445478	1871957	1117332		1108531	1151026	1307307		1786118	1087968	69197359	1905487	1984213	2249234	1418264	3262880	6530949	5956601	5738538	3625175	1855439	898563	2704348		1498513			7436445			2947580	1961447	3762649	6323784	10256125	1851409	1427864	1489270	1210547	1833658	1468303	1420073	1183509	1817772		
dodecenedioate (C12:1-DC)*	141640	237435	324113	266177	150260		387665	569460	279448		145373	131450	236306	329289	54002	340781	280699					270250	199494	566379	141869		527139	327733	390190	428499	148431		442227	332313	175343	248053	276545	165188		358958	431046		378757	244148	214462	234651	388334	481336	85485	488924	172681		370295	343197		147518			363337	242890	1409005	167897	1442656	291617	141357		135853	344474	341771						184934	108959	262955		239322	325366	240746	563806	618190	528568	188178	98969		81355		477844			6523890		252652	160840	169692	110577	336128		237126			265914		190966	106877	182076		175213				207516	430917		245661	330766	548776			219880		135614	112094				495316	408049			204877	164876	126632		548393	275751			180898	185767	189661	384129	229017	216459		308019	246209					238442	427459				221638	204281	487350	204043		512912	351780	382807		247116	430799		405006	194517	326222	305324		179718	241835
hexadecenedioate (C16:1-DC)*	165792	519097	147326			150538	119825		55251	218904	780869	150315	246818	229948	146620	454403		308719	486961	463030	598619	489368	313884	418301	157854		115770	206539	129829	183235				126182	276700	299512	410000	283445	714706	442493	148585	172364	633209	538129	333532		348984	352505		227725		436725	589126	421850				231119	368176		727650	399370	317860	564719			289949		533275	416062	224312	1079837		662349	185481	291091	289795	474801	358905	735904	646441	315062	284726	511761			268911	589746	449072	108978	648344		120909	321757	371674	329230	487883	125836	534390	243127	281684	141525	296781	701910		297921		204048	225716	331729	358369	244634		268753	353468	463052	232155	891526	251744	517353	333736	223780			172772	441281	334330	1337587	577314	444834	228709	193772	341168		1069221	226587		271041		218744	255078		59645	403835	365484			282168	315509	152445	461332	372312	280851	387696	439994	167470		250610	168820			323006	162873	158276	218341	301998	291649	332227	331428	223141	382949	381224	277497	255559	391464	189141	334198
octadecenedioate (C18:1-DC)	14379176	5993461	20263582	1499156	3613465	386567	2722761	5272437	2100635	2534705	3188292	1697399	6832316	3595562	3408289	8249650		9225481	9719742	1591980	5432604	17889079	5480589	15246500	4348700	1331243	7339557	2651331	1275557	1882432		1850900	1208076	4027761	816591	3608977	4017897	12176205	11481530	11829959	3652590	8845477	9397185	13220327	1684354	6795499	1751814	17396447	504912	32161851	3355152	3405253	14386903	12403166	900095		1180680	2557068	11191501	1902015	2504771	5527276	5983735	13373504		498394	2978531	2850731	9838036	9809542	4978440	1626607	3460323	2072512	1030473	3323536	5711468	1885098	9120534	9449546	9104500	10152306	5909157	9796248	1600734	2904411	1801301	1587911	3069442	10645809	21395604	4641916	2806877	6294301	1353087	2611240	940818	623116	1571495	179878	2720011	2078443	2924505	1770903	1382902	3416321	1172007	2430842	3367523	4302794	4685023	7575457	853719	17786773	2467204	3923772	3546468	10570346	5254369	4754798	2829017	1806657			4387756	4088668	1546872	14317449	1497429	3550218	655374	4913091	2056486	1162614	1342959	816650	605973	1971540	2236396	2006665	3826858	1356924	1977818	6242012	6910386	3435007	2171226	4773770	4825857	2657286	4231688	5167172	3238715	15240381	9855856	3998097	1762127	3443589		687716	754775	2717153	10491407	4503388	3661337	4401583	9320323	1785008	9700052	1798466	1045562	8483947	21928680	6422059	5821617	5657328	18078497
octadecadienedioate (C18:2-DC)*		577574	344923	61417		107738	699530	2504763	4937613	119169	223751	265585	472629		261778	498969	163999	329448	390927	249563	1232923	3532213	2157207	602870	615289		3292635	553237	326857	184181			92867	486784	202280		3089607	3035454	1757043	3482219	397919	680524	1643828	1861785	583210	1575031	519133	440188	135776	328915		405864	9890147	2410968		302283		333746	142740		250260	1483150	470677	646158	435662			405776	532891	2421009	641503	660756	85393	308770		294920	1562885	231371	468958	951910	1065927	211983	190056	593206		455003	685986	538237	1227048		446620	615652	519857	447929	177987	499786	166429	421924	356761	188638	614466	396443		412227		1247769		573956	3074378	492286	245132	2854563	79566	293174	678007	430141	337525	1180730	486351	389278	239047			271486	277218	420253	244261	267731	791050	1342946	183811	224090	3882466	654732	860467	1471286		887998	312734	286633	305757	431711	1422332	957853	339011	489425		253085	255699	578106	89564	682172		2538077	922870			445170	1010655	253089	703485	376230	282016	3000798	1132078	1313124	428388	937402	413743	340709	645941	501087	504189	193953	380643	186908	734180
glucuronide of C10H18O2 (1)*												23551				45390																							464047							43957															26382													80417	31953		50717			25382										46463									45643								52790		29858	44055	17226								83778			4138271		238226			41721			34116																70717								77082	96240					86535					21236		33741							51120			
N-acetylglucosamine conjugate of C24H40O4 bile acid**									825524			299978																							175278					227484	89741																													46957	37557							118697																	599104		221599	53071			361723					842219					193297		4497435			111223				245093		134579												27653												38441		169337																			53842	98534	45693		248676						
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)**	1370258	4924491	2557922	941224	295160	72198	3630160	932752	1900390	3851405	313385	201668	1782287	1662599	1806324	2516673	1066319	1710192	1027530	494792	1353508	578396	730228	1364341	183972	1724723	1673267	53259	138324	1133091	2305042	158723	1183991	812960	622483	2366640	624754	474381	2189346	1107893	1401597	423485	4532926	1651968	1153496	934628	239487	1235229	372762	1370271	2033150	3387985	578628	672304	1060843	2128706	1009652	1778698	4145147	1396927	1811339	350680	754309	4654792	670373		631287	5577894	3783998	1576283	1656048	1087244	270762	3700998	848066	1236190	1405024	2044456	2277855	1581664	1883594	3541862	8345047	6454339	644499	1456516	423895	803822	1912485	1059567	1196073	1603470	905580	3001490	1061899	1152011	143010	575052	1763981	1702799	526803	1089751	1836237	1304219	2120711	890915	1749512	1398935	2141604	855225	2196644	2368104	3565470	3007915	853578	1448895	885154	3256036	1273898	1672671	1071100	1033030	853877	539988	176188	2045574	816965	1040664	3675265	2846705	570028	4898756	603119	500267	2788182	437579		1873105	676631	1727726	224465	141400		1521811	1164510	1324910	2513373	623986	1619005	1367472	1089196	1114806	1461536	1879510	3324687	889220	315638	535292	1062924	485216	430666	1074025	2425275	704389	790653	1258540	1829858	1907527	2743007	3069929	709419	2690458	1413243	4309356	2981318	1248331	1594609
N-acetylglucosamine conjugate of C24H38O4 bile acid**									241545			122059																							92504																																																												52271			70040			241684												1298001																																																																
glucuronide of C10H18O2 (7)*																																							278906																																																																																			1699439														809570																																									
glucuronide of C10H18O2 (8)*																																							114552																																																																																			406883														128873																																									
N-acetyl-2-aminooctanoate*																	40706																127399		460044				140019		155181							95514																													31493				39101														338601									358403		273771	65145									228424						143406		130715						146115			81415		95917	529084																			191681												306736										
genistein sulfate*												36068392														37206	3185936		2107902	607907															141434													70647					184358											45680		21563		67914																305193	100691606						463415	9533531	85891			36174				155250						31232				25575			163605	78489	70826	157142	290343				559027		45434			47596		776696								22272		33244												41928	2084193	74773									25642	137071					
3-formylindole	295033	406691	311432	1578785	5164567	502718	1156297	995821	219872	961822	472035	359487	2301077	748072	459698	996647	674435	1941314	2357380	164912	565589	2257444	5477490	389294	599869	539493	515181	1228204	749288	936335	13756214	534305	8963052	2869431	741018	5335885	1204205	1028845	794623	1112868	1186469	809696	861951	446446	332805	5193501	532772	1460732	562311	3381676	1090296	469936	1687598	2639821	476693	1931412	1370119	907909	411759	2041437	175106	526429	526764	417903	1324275	1285676	1093590	2358901	8387470	796187	222235	2647109	891746	2920775	587364	271970	1139813	659007	663986	1204475	2693325	1613293	572474	495705	846621	680156	375994	1099036	538538	704525	1146746	903544	414542	1877922	356135	296363	325537	1415347	1405361	1888906	717959	2189230	713397	414889	628836	1279246	511953	1016228	1715627	312965	2582734	2863069	660582	1005572	431435	575706	634184	779446	424411	432054	655304	2774170	4519376	3418373	465823	641012	2289966	2851703	453608	717838	1631229	1550599	1779990	1284634	449923	1008188	1494782	2488823	1336423	640956	459686	1019336	392208	2284734	1470648	1616533	757494	865472	706266	422972	1718701	434712	1077168	827325	1161364	631253	574518	881286	1224378	1399613	890076	1064825	4055675	2896663	967483	2947058	855041	785132	156995	510481	390125	801296	701493	255807	924589	1053080	6165477
pyroglutamylalanine*			228664	267899	282386	154238	334337	361315	275862	115441	550493	444916	164125	175973	387005	333649	146476	516187	176827	81990	179297	279658	152318	117985	205209	260416	132577	121475	119761	120123	189458	165442	344985	86391	470388	111191	108162		105832	115298	197074	250234	116452	238920	167924	164093	312242	213120	128107	222289	117441	131754	232435	190252	108075			185858	181268	169607	97640	465635	897025	282170	181135	397819		362331	177167	191202	123266	109825	88502		139045	120418	401856	137407	136021	443902	381257	145275	215323	148952	140884	84693	151444	126638	158194	375655	181746	113622	147555		151714	84279	165966	203802	148205	182437	267800	160397	308320	91489	257661	137468		183349	450729	227509	414168	159635	286236	161467	219786	192383	122735	245418	288107	104240	362646	204190	327642	201285	133187	124966	214159	178780	140335	373307	94659	262108	153417	150188	166356	399379	101165	169198	184422	158555		580455	427151	284370	291336	219812	75168	155598	251158	212402	305216	166030	364771	328851	261786	124340	176026	415864	157712	367287	154720	189257	191921	209922	343764	246401	269577	128067	133542	107494	127409	194340	220606	373851	115640	353560	201491
glutamine conjugate of C7H12O2*																																			1652614																																													576657	1136687														347996									2361427																		338482								381785						978147																																									
dihydroferulic acid sulfate				55401						571451		544901	36339		127017			38402	91388							186650	18250566		682846						131606				50877			30957					63458453	61927	12568023														565766		30365								91016			1961817		3033422						63396											10302298	54824	15137908	254180			426830					3926444		438243	506081	434564	1540148		372584		5187590	32741038	469349					81172					48500		1911157		782296			160351		282649	28329	180966							622350	167991		6417730	85441	89991	230338	85579									1231708	40027		73254	618775		65027		2355214		23350						558122
tetradecadienoate (14:2)*	358676		1231722			2318088	690459		533731	985112	2831731		1802208	828360	585147	2400943		1308438		252185					2044189		1354400							1522269	1449314	1511538		2104042		1221816	2729564	1052217		764848	1247929	370398	762534	859879	836583	1786912		968374	1772016	666014			232878	679101	1527301		885858	1458309	604150	894395		625264	894467	991688	1583575	1070607	876695	1154716	616469	3284976	1729581	812392	1300873	2050767	546055		956452	2499258		2301570	212638		6543089	814537	724145						1685416		1239676	315766	1564968		1891397	459142		3997889		1583245	191770	473987	1086131		602688	902570	1030815		2069547	2491530		1573185	569673	1271531	1792200	2201639					1293091	1254737	3207291	783051	1026445	1003542	410949	307461	6695400	427896	740183	2442165	1710715	357666	416733	516963		1993464	1757844	369954		813018		1140764	1160518	405849	988623	1093906	3655531				706328	2231702	2685392			1171794	1225981	2892693	482389	1822906			1002857	1344410	608687		1262524	437347	198709
8-methoxykynurenate		13358	36678				165134	196758	217503	112137	155668		205776	134324		200077	287979	195358	239049	110713	72646	31086	24259	475235	337672	126809	126046	123290	181133	71158				114175	172434	85460	102623	33629	84061	478232	155118		112183	232761	142340	268034	120680	231413	179127	76438		412520	248326	194191		242391	297910	280753	171995	93948	190216	147725	142409	192662	222096	135513	84296	238326	176592	230942	180171	241785	245458	290813	263826	155706		207563	85273	287858	342263	314798	173766	426930	291637	202012			59514	334748			103863	90072	75711				111123		850122		443835	202444	163617	191942	200580	156596	269940	268306	253093	180455	592108	78588	180482	188525	153756	183469	195090	187199	146091	200649	66645	92830	80584	68144				198382	401486	129247	137925	97256		125782	114844				175244		55375	369505	512036	226414	226288	125060	352687	259056	89130		162517	595611	481067	412344		129435	82925		199823		58617		73355		99407	90878		169477	165180	170046	235539	219579	148010	98568	281177
3-indoleglyoxylic acid	207936	288574	616247	794819	1006710	151355	735822	517291	217729	560713	256443	581974	573902	270181	255101	146265	190860	914178	1027145	176619	400201	849283	384130	487875	377854	690260	699641	603947	347404	585080	2823281	69302	4932914	319681	768676	2128146	486478	331745	511334	817555	804838	973042	456874	845773	278586	866997	800174	793560	443981	624275	305297	372922	233370	450953	150914	308146	250108	319666	135447	416865	96976	440730	852401	673176	357524	378392	335422	1086932	1464337	583341	620154	701292	941772	859009	590091	348338	714775	364980	102185	1014535	1239297	371947	134026	74380	236296	179432	463087	330144	414637	293961	577039	213021	152069	775538	318046	382578	240545	799177	386269	632417	595801	1172178	328049	234784	123012	855775	115497	520681	776375	380840	1730780	875373	492857	295028	285629	506974	221773	834295	299435	864112	495663	839821	878642	871963	193151	537689	740184	604731	503151	1100725	733469	783861	532981	576805	140451	640715	486608	940260	390678	247908	252435	608185	566305	1420253	827236	426054	159331	988217	663807	642527	1095332	707742	428732	833646	847441	465262	195264	196961	393838	441431	687979	446633	1240023	1185710	461048	245795	258537	520469	361583	399840	303142	266789	157213	113543	797009	741781	2744850
2-hydroxysebacate	3091268	880191	2739825	1777294	1869313	1011257	2586450	4558704	14510721	2277708	1568928	3210628	786597	1362394	1734680	2697456	1873197	380352	760725	3771540	2238813	11289634	8495954	9112335	5830585	2822003	6225180	6588413	11449274	2223186	8153111	411854	1780548	1126769	2667463	557525	1157321	1189570	1881543	7567849	12534348	6490381	822964	3099274	2202251	4409012	8646262	2657307	4195523	3431942	5149408	7824269	1436631	5357970	2282265	7260253	10706453	1147550	1246660	3197563	1867762	1950359	7226677	3098195	1167035	2914322	1713016	2594124	793073	2188017	3271107	2961086	1115401	1343266	1556011	4745241	2331368	2170521	921826	3321396	2907228	1134454	1970511	1118341	7082400	1794656	3586420	5203190	2614118	4272027	1955506	2907419	9055260	1136545	4833927	2005230	2858874	2307053	1955833	2813431	8241143	1332000	1937449	992550	3963260	2774823	4347210	7089299	2595623	1758708	1323003	2451946	6658165	1104509	1956297	4787425	2120481	4896955	2076659	8104741	519602	1722159	4134399	6221541	1461409	3761245	1593944	930202	6039183	6690185	6690357	1670377	31208399	1511645	2250009	3316124	1254263	1388413	641122	2522994	6941307	1710465	7268965	937140	4011300	1190342	1437750	3082881	1484833	1697549	3355362	931623	2563940	1022157	2090637	644401	2742681	974347	1806018	3776026	12325722	2957500	365829	5119346	1855312	5869222	2168950	3611386	8299187	3738800	3881482	1028398	1324539	963266	885391	2474037	1821257
enterolactone sulfate				228405	239376		574714	826422	194504	728704	1463610	2614510	1598194	1466367	311806	629022	686502	52549	315562		1143842	92874	3870512	1527268	1612063	3734119	13133077	367312	168561	1238854	191639	273249		29818	1262096	30921		74966	597522	135611	207457	3960156			172758	314411	2231915	199845	2157942		44466	722184	3841123	4002542		683554	394673	26708686	240353	449450	464588	3961446	9868250	10994067	6701908		1819638	216403	156257	47368			276699	1683928	166220	1298671	9395376	2745067		824494	765171	1718514	1701722	6284847	137218	114940			2132582	1189078	4015014		34921	2030484	3413440	4048396	1114549	225190	1547616	110529	4435107	4573695	5552085	1000601	108229	16164285	462330	12333248	4895715	7727381	13416166	32375	477311	102966	1404400	9638622	1965358	45584	190394	833919	6757081	7983497	1414037	1182402	18991	738877	1789004	49458	2763347	263391	2601622		123401	1052986		2069595	79603	2057058	252866	591124		184326	108884	1084252	3973091	7136753	196551	1823476		87742	2854861	1047056	33425	1634399	263375	321564		75661	298579	2233788	29005748	18346647	148160	2998958	5230646	2096016	2546971	3010112	3744996	1804098	20705063	1300394	267281	1168174	2365461	21081	3422693
3-hydroxyhippurate sulfate																													444068						543745														267231																																														482170		427388						417624	150169		1019017									35647	211662																																532563																				124372									72647
delta-CEHC	20560	44099	55794	107012			76320			68494			112401	141325	112968	134662	180191	89394	36536		32508		26978	36374	24346	78144	38836	46078						28110	35061						85288		146127	120899	66329			44020					54408	66108		185037	115801	88796	167159	70548	142344		65378	63895	53103		55581	92059	88386	59173				61299	39699		132334	72280	101687	206748	221077	59184	175264	162898		89621			138956	74104	49207		65836	62292		100055								92195	80973	51704	66242	19392	80664			43279	93714	95672				44719	47949	21417	18777		36387	50923		122953	84135			112233			73870	79118		33867		382559		85359				34135	42406	103588	58538	38125	26005	113332	50973	82642	56253	133760	78677	67599						57349				69247	83861				65135	60923	36815	64115	125069	31563	
gamma-CEHC sulfate				233018			1021994		721727	3761689	472979	1989679	997417	1355521	116972	288241	69854	32055	149807		31963		40630	487580	273022	2368809	4353547	95960	1678269						83315				100842		51031	181806			109229		704321	268916	662500				29488	105006		201111	101008	1462661	268196	162802	154391	171985	1060625		43156								182147	1002364	119598	841060	1948749	1772879		625475	555628	361484	1732491	2842167					3825238	1870225	102509			45774	824878	1372775	407920	198267	46091	88615	724163	2427310	448190	764116		1425350		538837	1949614	631811	2217624		632485		1188174	1034145	635485			44288		43239	68818	176740	474625	1071218	576082		3172027	1141593	291815			132527		366031		2766689	155475	614417	188681				637389	1588556		612857	39986	118816	1131586	1545084	74933	638162	356162	406167			343324	88908	603025	1325408			929735	538076	986769	434269	878041	505491	1295729	818258	56165	183169	3788430	341391	1306959
gamma-CEHC taurine*										55241		70709							129612	126621			131801	201450	97436	154064	46111	34263		132337								63551	285726				385338	244008								108805						172312				45954		208368						489528	215762	63880	468854	163255	384784			105587				152375	355043	444096			506460	239238	113674	306968									144940		116583	353081	131156	41385					111632	60661	53342		157960							34689						1913946	513015	63640			111203	124618		55509	27050		108526			429331	57201		189394	35031					290485	173311			186415						196064	91724		40358			44662	125462	93387	45353		241040	61040						37977
sulfate of piperine metabolite C16H19NO3 (1)*									82694	151302		1514789							68918				44193	176256			436099		3730756	27017					326233				44624						785235		1674489		4153339									1002208				222169	368063										113631	318973		439179		1051241						295304					376589					35647	5453604	422292	2734570	1288378			969209	665411	606438	732386		4976287		36074			25157		1883154		195222	1150878	346297								91017	485801	874211		30622		554142			5557117		1461072		1921319			1070463				3522811			645335	35024		71709				54721	71028			28443		484694				565765			408325	290833	40221	1614695		69962				
sulfate of piperine metabolite C16H19NO3 (2)*							57618		132229	267169	60404	55652990							99943				73344	190801			5788485	55080	28603305	97612					519079				94645						12973080	154221	31915921	55622	44626958									5837027				1129004	3510260										833767	1801193	78400	14063507		31675886						418692	51245				2053389	40814				178150	165592512	972382	2305140	11855531			13459285	2639208	3650850	4896311		7897539		670438			43702		10350043		302565	2241275	562133				27369				352046	478395	6112006				1134340		185841	14963964		2600375		2855773		76305	1483906	51294		280285	5813595			3477669	43985		233238				247468	222701			74579		3241965	122482			3525507	41307	68404	823177	267346	142370	3112460		175181		251371		342009
sulfate of piperine metabolite C16H19NO3 (3)*							27601		98007			24112331							30608				33887	184075			4139568		15781046						273127										8199836	59881	16716502		17968326									2327397				492864	1407904										283712	1228084	31188	6925039		21949292						177582					1123414						74990046	618635	802388	3948314			8190856	928480	2084312	2434685		3901513		226706					4119746		93448	1008054	255906								204105	267021	2193721				803422			8106636		1128882		1428087		39948	582891	16664		154349	2735625			1445390							119898	73266			53623		1521857	67225			1659783			436907	110837		1351106		63710		169060		207792
sulfate of piperine metabolite C15H17NO3 (1)*												321743															156732		452650																158953		1679264		512822									280362																		263256		467146																	8334540			403601			85930		51627	78054		193921							175091			33331																		144743		27190									57329			62165																	25967						14183						
sulfate of piperine metabolite C15H17NO3 (2)*												211408															163135		368327																168426		1240803		269333									143855																		258441		319115																	4742819			309166			69275		24034	77462		139580							106851																					98947											47858																				20623												
sulfate of piperine metabolite C16H17NO3 (1)*												7710782															354531		1508827																794640		1295224		3067429									310420				37710	185341											109291		829233		4585953											88251						10007628		95367	368435			903270	157417	272174	241049		395743							829486			100152										49350	490514				57378			726952		137278		40881			53936				141411			268960																	115913			22662			116323						
sulfate of piperine metabolite C16H17NO3 (2)*												1272520															140945		336840																250242		253951		707609									61453																		327330		1605976																	2844006			52429			340740		50576	62164		86120							124000														91251							208157		25980												57597																													
sulfate of piperine metabolite C18H21NO3 (1)*				83213			183012				168389	24717719							63184					38152			2486454		15425683						957009				75478			45618			6600527	263887	18828781		16154110									8894114	39186			237359	1625052											1448679	50615	7482593		17890825				100756	81507	114630	57385				300193	197601				57963	37713152	456310	1617067	4293381			6165356	2718457	2369917	1998590		3219723		1669389	104015		82890		6948112		465280	1581171	698289					49182	45319		124829	1167559	2622297				716010		52327	3060967		861497		576584			408066			357993	883211	197866		1942145			127219				213579				36409		1295904	139357			1777041	48475	134780	682702	96016		971423	82191	146258	77817	1705377		612407
sulfate of piperine metabolite C18H21NO3 (2)*							25205				36808	12843594															1963441								326574										2637472		5778261											1996972																296550		3492214		5980107											106559	31605					12413418	120329	569991	1308352				479589	827614	693998		794652		570873					1805381		138839	730206	262740								55754	311089	835454				177117			1279461		241865		164392			112404			90124	229057			390808													484606										351498						210941
sulfate of piperine metabolite C18H21NO3 (3)*				46368			110532				151857	15401044				25215			49882					57484			2527643		8454790						639152				77248						7492493	185385	15489710	41309	8659942									6634242				214847	1285596		24815								136024	1337632	46064	6756459		14684737				84431	79756	89223					216739	147487					26133751	530383	1165193	2574151			3055874	1082592	2241647	2041969		2308342		1149762	82216		68278		3975234		352168	1051755	626195					59541			115808	570488	2195495				431407		27510	2004403		547850		205592			236753			259861	584105	80890		993190			124909	54069			116549	190856			38601		1260856	79829			965930		112169	234030	58475		622853	79944	70993	74816	1084898		419666
sulfate of piperine metabolite C16H19NO4 (2)*												3922333															161664		1226519																240859		1254500		2042393														60108													1414452		2499887																	13878125			568752			284704		106279	85148		140398		47859					198906			161046											97726							145356		231046									307305			82233													77247				34668												
sulfate of piperine metabolite C16H19NO4 (3)*												1521159															98131		582129																131193		659258																													518834		648788																							114261		172366			92185							103783														33117							117051		93081									100486			86844													43546																
sulfate of piperine metabolite C16H19NO4 (4)*												3604230															256530		1757143																348986		1244454		1109094									78576					53980													1299235		2173801																	9300578		99246	335422			331322	49900	363008	92436		213950		36239					288013														91043				43568			208638		239858		71666			128115				344370			162758													87659				58488						56485						
4-ethylcatechol sulfate				20053					23519	100231							163954							40547	63919	1147166	305696		27335						1482579				38476								607519	60180								90760		39851																34734	72960	77625		98256				275848	135159	258294					86962	35734	137784			238072		67220	1309951	2000739			40440	208203		95751		2198090	64558			32265					1030290	1064985	443359						85279	27012		26901	65918		29522	41968	32239		43309			61045		137500		125324				320214							44247	81438	14883												167623	21733	364563	71325	82397				30735				
cholic acid glucuronide																																																																																																		108023			122828					140741							689477														358476		64117																61316																																77856
4-allylcatechol sulfate									63890	67667		28962												47707			32187								226628														70972														120907													25702		250357											101285						267627		82730	45397					52991	32508		319833							475109			490995										31980	171994		471260		97197		59424	205982		142526												150439																				90049	2546989								
2-palmitoyl-galactosylglycerol (16:0)*	83083		283197	244214			287036	797978	1063103	720049	613707	1721336	1249070	384070	567504	714495	1367560	2222517	2667111	1075837	210006	310787	2518848	1040929	137437	161625	1178331	359660	1794646	734905	543041	203708	333427	174605	2048659	218744	2968302		901179	1356661	2907750	2531803			1928643	4106399	2555000	1183446	27629562	1173235	1488237		1205087	609615	513296	2610190	2926938	1689251		2817649	245314	6707340	7091124	207041	5310337			1761779	324217	1129499	3309662	2605384	383286	880852	498404	943033	161542	2750529		206089	82146	280632	185962	361837					1097324	571093	1304433	1374015			1896977	5048716	3511449	508011	2878146		1229884	2187717			533016	1160146		4848521	1620722	821020	932215	410232	2525813		730348	757606	358033	318909		1042811			2993672	3261298	704972	1617556	1246686		1081306	1431842	1969257	509963		582879		1084867	145327	1213968	1944164	1251252	1392107	1470930	2270377	482042	667921	2078102	379917	4237905		10085258		1434737	634367		253505	1171952			1470389	1014349	1057652	402393	314876	218257	797688	3455215	2842827	1404216	1332583	958899	803190		652826	846230	271709		
heptadecatrienoate (17:3)*							806540	1682684	589775	97338	471910		734128	367943	330456	349230	243778	398523			643987			366257			1390942	303600	551807	1717888							809109				822489	904826		342490		293600	1901259		1326695	218792		4520083	10401034					773345				2043895	1635627				2268666			453854		932020	406088	537511		532908	1368244			551565		455251	586292						145057				478757	1014119	1748918		926383		809641	1329519			303567	2273010		2308167	451274	504906		1043298	478850					724014		236438	2161161	155416	1828190	1532409		370089	227108			334894	1021275	179267	3266585	445083	514604	2160287	695292	505391	276078	1130755				848241	886463			244115		418815	689046	585576				192885	938348			309486		967211	1470164	3557387		898013	11262003	1501944	191220	1898615	182674	294021	729191	2542330		595976		1161241	309041
(3'-5')-adenylyladenosine*	138393	586435	421463	390930	216762	943146	183003	143895	99100	58533	153904	921386	4183897	85962	1023886	622380	1392081	3800880	498830		89882	425741	135175	172186	861504	829662	136718	164591	527283	59557			352582	177847	739611	1251053	60333	224542	469079	1101143	328800	184537	125582	616390	150496	345208			111382	957921	151425		179893	492055		652927	265106	332190	1023500	1687206	278556	206299	532151	196892	800108	690060	130385	655296	173725	567726	281787	798064		730364	41383	243167	1475159	129398	458630	1691400	1756040	201933	167738	347100	97645	50346	114740	1674359	743065	3513978	84207	489448	612418	418649	44372	269526			636587		207220		1247875	292186	151257	1836327	122607		679936	69963	1763731	175991	3044974	189276	284992	430300	129380	349794	2273010	153435	32565		724843	391228		26886	48692	36423	302905	67376		5262063		910864			788009	864000	96349	96642	52795	151683	485659	920951	287697	194813		1706792	457812	892201	381975	226724		1708228	902722	322492		88051	410322	55274	122089	1138751	50132		71783	353981	2965455		103874	238889		596348	72264	602944	1349818	1490406	
(3'-5')-adenylylguanosine*		454832	274341	346392	89826	1117854	115064	100832			147058	1063948	2525195	73360	1245997	773559	961744	1630831	290673		68217	292833	69736	118661	690097	390654	68369	144198	371490	56609			175888	104053	886371	623107		205500	270718	737120	199559	149673	59598	563244	223561	187973				468632	69783	32113	123887	317332		326547	153868	233667	826132	1260579	186201	133659	259108	123220	365669	258574	68330	339930	42419	310589	120457	282850		478097	69091	168855	996644	100003	444696	1066422	993234	139551	60660	326789	112944		80922	1531377	470360	2360661	67351	250683	368541	342885		158958			352175		82702		534663	216038	96799	1142734	60468	115438	313393		1001029	238469	2174044	104611	585715	635762	202492	264106	1091433				344137	210916			32036		372494			2190806		410603			309050	521226	53178	46780		135711	233039	673606	413836	157902	31835	794832	428181	677167	430336	287656		1312789	652144	157679	31106	68157	423796		70392	676210			37942	562726	1724591			175307		670963	78995	465271	694776	855727	
(3'-5')-guanylyladenosine*		130160	58397	153592	53584	354475	59517					228434	1359690	48366	356045	266340	460451	1354634	181914			138721		57394	160367	119948	44599		173725				59399	64711	465916	312628		78118	137649	104911	117538	81776		225282	57833	79792				300697			45995	160400		141975		114938	325694	480613	95822	95426	207750	50009	190184	119360		200381		115760	74025	244370		180826		57922	502047		149255	524610	568014			111438				787403	337882	1225663		154022	168262	113191		115311			182894		87826		635376	158598	50238	739068			214557		551521		1295343		75637	174079	48326	102148	692654				189738	130349					153028			1977118		470233			364046	543513		55685		52408	324276	406546	101029			693532	289815	276536	124279	86600		513078	337663	87432			92663			301105				155971	947509			64273		260839		212571	382906	325556	
(3'-5')-cytidylylcytidine*		112434	101181	314664	181079	347906	155339	75323	46137		77112	155323	289383	150269	338306	166093	543814	255728	43329			68107			165875	192337	63933	37597	123405				206161	142231	300269	151743		29557	93460	158119	179294	155919				68489				409527				61208		231893		43989	269219	413591	142532	87978	254586	112112	184554	517841	66326	102896	83590	100744						85683	205984		122371	217545	181389							124084	46125	389898			118757	246695											105440								71971					142194	314026	84385			120146	115968								117641		32779									77954	473743	140361	111587	122029			69399	59379	51842		316116	215067				63535				38094		136529	110952	255708			71981		109731	48736	156377	152313	215507	
(3'-5')-cytidylyluridine*	53812	217366	159201	527392	230157	693266	205029	164190	133915		102950	293058	583242	182948	511787	327328	764946	617515	118596		45379	165249	55474	111728	205376	249470	121578	60252	186130	58396	92867		251501	278732	990251	248847	39544	115613	185541	186404	255171	221713	35655	123748		86609				536329	33143		88795	215154	22549	424819	73065	132411	355891	681758	256781	183261	381384	190588	245313	803704	112689	196004	206793	131431	67642			59092		156616	319760		108918	345040	317583			160185	42681	41448	48299	166356	66924	519025	121679	77109	183949	361392					77513		58018		177403	87889	283043	111498	75086	58237	114271	63006	142210	72693	249724	111521	107940	167097	43903	174680	573658	147888	20558	40020	176026	232192			35624		88557			371835		108945			72285	106907				127608	142492	527429	282511	214722	117579	166613	226081	152828	240003	202998		526183	497993	108131		31112	95812	75035	131308	101228	84761	134838	237859	309429	469816			191560		167218	109444	272502	407061	491944	
(3'-5')-uridylylcytidine*		140409		282879	185182	349923	130588	99466	42814		96926	151945	261947	136865	384984	176482	636833	217843	38097					59077	121761	163251	47596	88585	151634	30764	47206		189712	221444	469852	179246		39285	108167	161021	142119	96708	41854	53474		51246				321393			33793	30755		241284		36593	205510	254136	103643	32656	131511	102842	107820	406747	56112	60114	100506	90502	41034					100052	154753		99905	178790	135975	35497		65742			77542	254675	150271	396411			70231	303124							44617			33579	98679			50882				43798	76912	29285	49268	76424		185941	192210	75462			154089	118945								68350						21610				67609	62877	451318	164589	169929	109740		37227		101811	82163		369127	234786	37760			46668		76395	93479		59843	146930	148263	179060			118124		147928	60579	69681	239232	129061	
glycoursodeoxycholic acid sulfate (1)										68328		799551							74062		190986						87885															47119							111482													471010	420100											69295															49124						630712	123373	375516		201898												297043		385196													657842	145076				515472			739519			113238								187269			13269210		5988212									44549						56965			863005	266592		420683						73673
lithocholate sulfate (1)	66479	836344	107356	187350	76280	77794	1376256				5575795	3592794	2917038	1272528				1430196	986922	2889230	490906	1109117	3047420	197372	168144	493958	346968		226571	1622444	109176	57872	192660	892620	458716	90837	1041281		1245364	91014	1004727		136297	565686	676051		1235444	4398329	776651			398162	162845	746163				221114	498988		595267	201492	395076	2509848	48189	424019		117689	94927	166839	571004			1662965	2987496	1488603	1385670	1305199	592747	1298160	1373055			4679103		150505	90036		143961	1109665	1327305	83530	1370897	2583125	269387	287353			3580421				566457	750028		1606443		506291		199361	387907		963068	71678					126736	73689	591183	175617	2170638	741591	1550565	1480360	285172	959265										953135	907394	599167			1611128	838925	236724			513471	916981		479470	1242228		1426979	939464	1268020	139260	1856181	1516338	422184	971349	398744	576692	2658263	284016	497186	1190979		693003	2691253	128713	1294222	1086439	513241	1416812		406481
lithocholic acid sulfate (2)		160855		444366	141209		477313	119364	533319	1349543	64888	5006690	1627632	475703	108707	44125	1227073		1604036	115030458		25693515	57111815	2628544	1334321	1613243	2040206	55268	174846	1816962			39365		7934453		1098337		11562700		3901833	494814	817381	709600	3588454	938769	2055432	92239264	2503934	278471		4261051		921954				956172	1433642		2775499	15032018	18071540	7225583	170432			138171	1771136		391727	3246232	4582170	54492514	74694224	48977161		21544604	403206		90976						417952	8475360	6542780	1334494	1347424	240382	475709		1184871	11314067	1002598		7744537	4371669	1841440	2826361	2220863	33641875		3103129			92749	16366097	1428034		66600370	657726	440377	2688561	1340561		109037		491415					5331368	5532755	34040270	2745394	646298	2137653		3203940	309801	3636632	531084		603134	139350	10932397	1445263	719796	2247239	580484	1830107	939317		14505173	26529179	1370897	2718626	14908385	392853	372836		390112			42238141	772403	106930	967810			2635899		3241930	1813896	40915003	3329796	2958500			106418			4859356
3-(methylthio)acetaminophen sulfate*									1081017																																																																																						70193																																																								612901																		140766								
2,6-dihydroxybenzoic acid	75308	158370	217587	148749	209537		89664	652004	2430252	288225	209207	3552718	1229498	1700955	1592951	229595	1926782	264300	158561	451658	280580	920947	208594	1435854	207810	910151	2163305	296611	389575	528575	232424	92363	145920	212757	1358637	448888	155012	121138	325405	716898	695617	357837	526724	394731	2147943	393656	1551043	763124	2384486	300955	140220	6395817	1048064	316400	324981	807465	471748	999368	453264	8418061	1058798	1501524	3191070	204856	2669653	126998	504716	70919	2229986	603151	399388	2254590	1257567	590208	689892	1095816	359088	3324283	90937	538072	660290	293859	269378	889194	709393	604981	317337	1793168	4293214	334803	169855	264236	139802	1958862	2793868	1548919	187761	450396	723961	168403	24431739	347860	870024	1164327	548425	2058938	1287771	442098	150695	2161545	571648	112976	5119918	143948	626882	3370024	1011975	394014	530614	1046699	967468	464390	253313	1034468	711606	1476840	1240970	80611	1368003	609291	2486997	563705	578938	6181140	183627	1985570	486452	476336	202916	300150		173357	180546	694673	4752036	583487	645166	2099796	1445386	906365	4404134	266179	821855	219142	256203	138395	150648	376352	258423	246033	1489005	308657	283109	830236	1428362	356361	803090	948098	773448	396117	535845	346808	861913	522437	716997	119268	316880
tauroursodeoxycholic acid sulfate (1)										1349749		492660										128814	91709	82652															76370									108263	453930													1060345	397782	213518								282228	294977	339225	128871	791842		438264											646826	232967					420688		243772		318275	77738	34218			205210							749256		687337							83913						1330778	278302		72488		8898445		594857	2680814	250129		697812			442429	43322							5990387	286603	13500164			70035						855878						114730			3272223	461112		299684						
tauroursodeoxycholic acid sulfate (2)												395542							146849	120676		135989	188103	72164			55925	42182		109067									552051				50807	177559				259211	66133													206408	197797	788330						82570	129609		121089	80548	54174	204663		405128						362800					239524	122801					205298				1742839				264089	249523		401608				598792	733648		112683													1039575	336018	471352															111256	45165	55514			699822	56469										193988		67421				150070		62374		1954933	646703							62508
tetrahydrocortisol sulfate (1)	60433	432607					115921	616946		707425		600650	236804	84941	293671		796258	446024	189137	721119	1437040	897087	720929	641535	279906	245481	716019	279075	69291	423184	78731		61704		1540886	405012	846326		1966510	426224	799415	502753	41818		1392937		283456	312270	146838	322524		878350		1480421		35357			122073		674484	380865	461469	1327121						163269	246998	511844	623292	1553676	671005	724231	98713	1618568		362671	399483	407704	1049739	579329		55745	504790	1644172		199236	828793	240437	428082		1140402	556415	1194579		2196671	984756		1056064	994809	250523		816197			262078	425183	959212		467186			408046	292965		574538	209677		138966	647962		408781	1445031	1150394	1228008	1879076	1353608	1175693	285139	630795	305370	1147230	528106	270578	899728	859037	2173051	1577658	22317	356008	412479	762168	211382		528312	673736	489072	497120	686564	376419	114240	423227	433329		143008	168149	499650	635721	666065		492244	401729	690262	931323	1360995	376938	958807	1627251	544751	465652	1038663	879908	187957	785708
tetrahydrocortisol sulfate (2)	943028	1351905	1071791	1523349	1055769	2191873	1000981	1082916	965342		1180221	795248	1044896	974927		1523118	1453610		1228215	1588306	1471555	1154511	1280361	976569	1451161	827451	1285432	567087	619147	842182	1123430		1161945	1310685	1682708	1178441	1661551	1558996	2028912	982076	1198768	398230	2519352	2034968	1741117		615612	515419	867982	857005		1190054	1577887	1791112	1315386	1222486	1027748	721217	795931	2430505	1210932	400362	642214	1098169	84332	1245528		1063890	1926784	1107983	1119583	2428692	1859591	1913854	1151764		731295		244591	1287111	1346007	1437310	2294867	2124271	341446	678591	1630195	2650643	1069445		893721		761618	536660	903409	832771	1862986	580332	2928216	2332109	369936	1891294	1730330	997571		1194765		782899	2554927	983137	1464203	1019096	182277		500230	348732	417141		76722	880346	1271562	840914	1056804	945394	465338	2499087	2434237	2793075	2803681	2447242	3150478	1355096	1751307	548222	1975647	1699312	733591	1384013	1530528	2654751	1509146	520551	408798	576755	795672	50339		522600	1373632	1016210	1575398	2693758	1025875	1037586	771825	1081622	1173508	1368108	756752	1059371	1676993	1670749	1788025	1602184	1057178	1421451	1424055	1652051	518515	1000399	1774420	1100429	1510093	1571066	1328380	783274	2003459
12-ketolithocholate	8296910	53600283	11354066	16687106	161103512	3111716	180533022	27503237			17639482	77717877	40806482	41296407	3371961	19325550	3332234	25509146	98381328	75974160	61531246	48600391	46514339	27348133	70481399	69681819	80799252	34865679	79710479	39509211	145960466	35226132	129864734	19524782	25089430	402995	101107293	676613	60422462	36905668	71133547	69250451	105904803	34965812	270837	10581301	21383924	106920806	3709173	98642913	9295831	17940206	92258912	128550690	72021012	47537031	21311497	64090284	14467038	85822488	11741565	124836839	46279260	127277939	85391415	15444426	31486788	21768961	353407151	131613053	28700864		20215654	87982122	75541469	69030040	129799299	143826462	30368196	67892225	57380318	113776350	241924740	89109626	3031047	25117171	80837349	2970573	14399905	26673747	748110038	41015450	26691956	165282195	8873613	18120942			89673458	67900624			13171752	149968852	5292830	156360250	4250831	22168981	1358905	54615258	60779659	40430467	10588940	149862299	15020335	14807128	84904927	56954941	30709779	43357950	96950216	29931848	86383895	28218880	103230916	14896583	51352667	16466288		3165509								42958379	221632817	20219016		97252552	59074900	73122443	176944401	1771186	14486218	44167093	103333351		114137933	43199817		147280517	98337708	79702089	40413115	57124058	20105175	143319548	31720847	86127573	137269267	137263048	45406241	13120526	10291536		41535250	71681713	48754980	165329506	20306049	37689103	167605668	71342205	111162112
3-dehydrodeoxycholate	5835139	44967006	7457023	19485916	137312200	1147690	128375397	14554807			15733677	46279091	41347564	33888046	2013904	12449132	3455623	21926224	104993383	53175236	75906470	219294351	82551881	37424925	44792788	31953079	37676794	28838052	86288731	29716769	82464941	23447637	70788007	10648179	15859665		295650099	1357840	47876238	47635970	44874998	73409874	147123488	23156254	1091638	4674563	15072461	95510176		87794242	11522784	18636002	63184563	102472068	99995947	44080207	16121659	20886877	5662785	72345626	6261139	83655263	23564484	137627929	49473983	14933920	24132758	15064100	193789211	92886478	23767994		26782357	109777881	67324327	104145063	101672429	107739240	42447245	94443837	69423427	73096413	290795895	70891764	920519	14902419	37167319	944528	20728076	20830943	298061310	27074073	34955825	115372379	9349746	12422779			85127475	228607663			28208088	77301192	3185099	214678505	1972408	19153791	1453468	36180876	29526845	35587187	2423120	169279469	15430048		78575894	50346159	20871234	26039892	83402690	29115882	55083223	21566472	72734849	44097614	116464845	84680348		5795752								37666743	151418421	15143074		63363944	38109364	54615627	423066970	1229512	8348171	36638829	114958058	1140890	86792154	36812403		114358059	79721276	118325731	26478812	28232143	26248997	78702356	24468973	58763800	111454264	90658285	37169797	9210065	6701391		28536596	42370561	28653682	116072481	8049240	28625612	116447144	55573971	237324124
phenylacetylaspartate				268591	218002		120961		90760		1107278	331485			812178				137759			728484		236733			107611		2633504	376367	134326	172842	302163		211996										93637							67042		79425		99032		275012		76150	249290	1370137	1863706	209024	166999				172658	90761	434047				122420	704622		50634		238696			116824		44176	103531			67763			181347		75376			266298	846654				89148				116311		49364		150059	235413	219826	273065		123699	77545	322686				67326			89360	80033		206912			571358	125895	112934		88052				524394				109863	1574198		52014	162119	94722				1094708	127418	242571					267945			472454			195949	357668	66725		76223	49048	96312		59906			641486		
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*				322103		139298	723210	519704	567608	747854	445635	353167			450945		603621	1281679	688303	674339	481121	102367	85246	456786	279067		522157	800456	309931	338384			297244		2154701	387879	191919		438027		1506392	558647	478840	1352661	621853	889001	709951	649527	737786			1051702	313048	751584	216841	106384		531356	437620		1347606	419252	530765	357008	92685	297029	159093	29703	675084	591726	521213	681064	782695	2278328	1125727	612863	482745	816831	444829	1262134	1761620		119644	1000153	863642	809569	254410	620675	659842	1054760	144651		229864	514065	779345	828179	370240	222992	986162	518399	415522	649370	1898088	2708284	94113	1856599	404312	451630	1051047	650480	1258696	211918	1029188		609233	791666	746984	584110		704912	474286	1175759	834064	1242286	292355	397245	625169	442024	1060668	1339975	803073	898096	737997	566810	754111	2148652	540728	1083916	442786	823808		255054	686185	479474	465403			709747	1166492	1448648	607257	771636	1438357	1209280	1190491	830688			1044785	428310	450159	547102	475889	590003	367424	620783	1680311	1521647	569887	928194	552663		64475		900927		1011742
N-oleoyl-alanine			572410			913894		1235764		239960									341145	147111		251911		363324			264002		427559	956464	492834		342194	1093582	414541		263593		406169	277312	2659328		393028	609554	512325			445297				1796179			992504																1577605	828600	270710	1156329					724632		154304	2316850		2945416			4257950				536191	1104752	3347637	625672				128061				715478															200650	364594		206584	1260703							5193410					465038		2158375	252836	95342	561363		332402				397379	1018758							535085			1733650					2996213				461393		694644	805661	1336526	240720	1109116	834537						1748714
cyclo(pro-sulfo-tyr)*									177193	93847		209303	29433												35870	257893	188190		410685						217375										172463		343213	157231	254740									483200				62831	777386									41217	69690	449879	162090	247013		1043639				51213	188131	58907				65451	146237						186830	79869	368652	259048	74168		698496	613197	173003			680446	95397	159988	854606	362741	718814		160398		496804	314089	482537								49314	354677	160846		191500		170622			109626		488948				484395				27365	159982	312083		108049			368903		31800							403850	516078	244910			193128		77368	224251	224534	82605	74560						95831
lactobacillic acid	5622152	70151359	11952067	24737394	14656090	28204875	7137095	16143914	7073375	3562553	8367036	8169645	6926930	6916584	4635146	5295574	4339439	5906075	12085877	5439382	13336938	18996419	43311160	23675049	8547949	2328098	1600261	28886174	7409721	36324269	16694527	11555321	7065100	6471437	6826673	4203373	22851011	50720408	20287773	8606681	17014215	16496908	26849593	22942127	8041359	6006013	9263932	5229148	16675316	31349945	73318195	85070218	27115035	9803605	37029386	24760137	21380411	24449746	51584417	10457254	5058157	31400649	16080735	31149496	29585635	46774597	25622961	55821392	14248871	17689577	35201866	58610089	3168462	8941233	4410222	9200928	12450449	32862633	37339661	8734738	7836436	14187931	3295939	15481637	25563122	17367864	100914279	23485450	9958678	3863834	16107657	76780946	67410729	40092147	16575273	9033622	12938247	6971706	9953572	80355165	31726898	71508948	35854246	64851173	16669109	5101567	40912481	46775807	23411108	8172858	13809028	16920560	8955317	85396891	25665721	13895550	4601418	12801166	32358776	4093278	23479196	100140734	26206049	17815739	17637849	5410389	13177282	14644649	8113997	25206649	9989433	5470021	15231285	534118	12962355	12488103	260129	4188462	23748592	5361328	3848364	12793786	5329168	5263191	23351378	3200066	9142872	8427770	42233889	12546950	31662048	16313384	9445191	21243122	35783813	17630270	14040385	38252752	71404508	25484532	6170285	8370297	29257827	6815936	17166941	76353826	28960201	4857337	6537214	11096193	6441533	14331357	26560396	5083799	7152741	103011336	35651902
natamycin																																																																																																			3268917																																																																														
glycitein sulfate (2)												1661406															25402		48392	55666																																																																	10926593						500689	573921																													84807							84931																																							
taurochenodeoxycholic acid 3-sulfate										1890159		859157			51670			81818		176109		82697	96514																70656									240313	204997			94746										1128828	170755									142730	285876	179521	61944	323528		454456											5800398	107886					109877	183225	235899		253429	271785	3081373	603934		200378							2763658		1131825							57214						589533	316498	280387	58779		27518175		390022	223297	154354		52699	43616		206312	149877					174791		10209544	410558	15899215									2079543			49095						50476714	1030621		543541						
pregnenetriol sulfate*	737694	1110929	518558	1459396	836781	657996	439568	498289	1092966	1282281		368227	822920	1117702		1417643	765010	207572	688963	167721	1422150	1271414	1276258	289115	49935				1043541	1546656	65073		440505	1111062	988356	608278	2024013		157211	127055		23388	700417	631128	133265		751254	339899	375730			403453			381152	151694		318369	1029202		214912	583312	646149	114686		1386614		1534911		369917	338794	356015	456636	863267	485714	715834	797399	2164527	657465	1366615	1405629	1466056	1758248	850812	635453	59359		1086493		555163			1095673		132147	548312	408608	117189	596069	812751	435260	1438674	1435852	1321952		1358724			433389	178719	234157	1048146	873086							738134	267541	147210	1834894	744314	558933	345587		1162805	966733	1565648	1022603	1465474	309115	977550	446018	302578	347170	84406	2389665	2067716	14698	54376	58454	189180	288407	448713		835691	1600646	590755	70215	1076645	705378	886429	1042514	799632		3583688	3580801	472416		133241	1352459	1171794	756195	624810	1067784	1346921	1020091	1676520	63914		920226		1225973	833144	2614965
pregnenetriol disulfate*	475655	4983293	3595779	7167396	4431503	3486783	1559409	1831585	5545533	6000266		610999	2739178	3061811		3934721	3107879	673120	1183277	591087	3200175	3461197	2920850	1932661					2592959	4204743	182624		1827693	4331247	3062425	2976063	4187357		708350		1239199	1541022	3932209	5193831	1619198		2521347	1278114	2509733			1772754		149189	1861215	1652435		856095	1817796	1293693	365842	1939248	2867892	1660383		4830432		5659413		1748117	1289355	2323956	1654723	3122412	1234507	3134316	2656147	8624313	3084841	4474135	4098054	9250622	10966764	7787198	1186112	501355		13833465	1126121	1343978	319032		2266255		903876	5172613	1165205	736183	3332593	2883917	1612553	4265948	3327374	2741280		3010837			1974766	328791	865553	3595857	1869427						30568	2146247	770062	316475	7225812	4479560	2588064	5282042	707341	8179769	10984364	13768170	11017666	6182529	1082783	4652722	1452906	1040297	1686177	616156	10699652	14154505	106916		1152121	393917	405221	2062039		5233763	5881790	3801029	1061129	7146952	6731913	2720899	3602078	2336249	52213	10809407	9264278	1766438		1875408	5158593	3946336	3232676	5538983	4616648	5322366	2174398	6370187	839251	120293	4399252	894330	1940009	1174723	5214332
4-vinylcatechol sulfate										61205		36084														40396									629443												598553		64983														78347													241329		174116				49065													126233		739555	1735473			337937	28157	49677			867181							93396		829105	728369	485981								37047	25605	51418		154160													19398	66499	171067																									178280								
hexanoyltaurine						1738473																933012																1399427	3566933				2448330	1393745				445270										626381						6424114														695397				1992411	2453116	1782061			11956916	1591638		878977									544888	318054				727974		300141			972862	164250	784741						628441										1675699	755418					68258							303574				257808															326931						586576	668805	632575			463583	76168						72910
isocaproyltaurine						625483														223506		686799	126415	273156														240609	361109			53850	108564	87684			93028					45769						77468						1055798								90028										143847	184156	157852						51662									96402		72759							144102	276411		62377						74350										2474939	4005469										24265						34216															68890						68300	109822	82041			55400							
(15:3)-anacardic acid																																																						2024854																																																																																								766744																																			
luteolin sulfate												1503814															4442876		2220311	45608															95935																		457004													144527																			7851177		93177	60504			96142	512060															32115								62873		144747				261514			129439		69889									40378																712820						22531	45755			173744				81152		
vanillic acid glycine	92960	36948	76200	73952	113503	55685			110382	169535		141167			203090		321645				135813	85408	37783	64340		49213		104188		50385	170166	95728	117160	137640	819036			84793	1207764	108118	169125		56043	93337			31511		98476				55164	90261	60791	113611			81266		603911	47626			58652	290138							57995	136922	104459		85333			103430	113499	60323			88146	65025		63549		64485		106343	102158		145602			201111					163967	130661	110081	156181	227862		77293	47610			566594	56763	62196	1047122	150838	71693				97193	243125	447161	190478	79594	147186		50572		89288		79687	133884	102750	527941	63146		43879		51871			179213			69929	464702			151080		325149		576348		231255			142735			78454	67172											74860	76482	
branched chain 14:0 dicarboxylic acid**	326817	2413923	1800546	883956	774009	1178546	3150925	2934521	15479924		2884679		1397829	1481942	3776398	3495595	1302087		995402	7870954	4639193	1104028	571080	8673452	317136	2040934	6602206	1334104	847318	5512434	9004059	2367829	7279998	633969	2483600	642825		638522	6096334	4361782	6436265	8788759	4814477	7691879	6238931	1678296	2260207	22556031	3762049	3854257	756154		3923862	5448985	5819984	1816644	576159	1801780	1695124	1375844	1469416	15662790	1983260	4092665	4223119	211800	3494999	1510830	13958235	2574264	13301111		19707040	1571048	1563918	9892533	3541572	2377619	4648918	2751354	3204118	1644337	1750597	1827955	1219500	623341	1144886	3254372	18183802	5130953	2501113	3087159	1688590	4114472	5993403	2781099	1773845		47814963	1366979	5419828	2461539		1954980	6184939	369003	13502633	1629690	7787670	6005892	2156596	13020699	249450	517924	977422	161971	1648999	2198483	2831382	9158044	5810995	2340321	2618602	3734124		1093936	186760	793157		16759754		7214042		16559709			6401439	6812800	1237693	3611396		854314	1855920	924733	3138629	6261132	1576795	6407833	3648787	7407820	26486344	13481992		1924261	1939675	17684511	186991	3348541	1499096	6042042		4050778	6373490	18060601	8857440	3365370	11083950		10301881	7636807	133447	4873614	6625395	2210725	2519280	2676573	2404622
N-butyryl-phenylalanine	115145	594936	343743	818723	3294074	4046823	90537	1170937	1404287	1046207	669758	1005663	2137366	378596	3764932	1779965	768139	1330924	1115439	1940316	416153	331367	81926	146290	434684	2791084	228928	211500	158898	951776	24593757	1629215	48964713	1531314	1522029	4054065	43071	384923	428978	309846	300586	99770	1180038	1300510	7694747	347822	1626646	672628	701801	2127981	684977	1976409	1837716	1806747	481543	2360700	988119	1234653	871645	2992147	206541	453622	440347	180900	1166729	422167	1387374	435323	20852040	978756	287941	1005561	1144939	1189254	156585	563906	168776	5443521	74945	225797	367651	780556	1155412	8374438	500464	1567684	1470749	651184	2769819	409615	226469	523934	407823	466944	9055693	543243	2765316	52229	613534	3350325	520238	145332	1542783	1251461	975687	1593650	1914294	3797188	271935	1186731	210171	1020022	3446603	286991	1882452	5059135	2077426	333060	789786	248676	6913187	463952	5524139	357343	167727	1678244	6909565	953960	4903057	286767	797748	365393	473021	883740	2023962	569560	343638	2146931	271357	3443217	827452	2657667	237298	72123	12983097	1848756	782800	246563	1553131	122911	15133309	453436	50864683	206588	99399	206888	890188	1616838	107929	275184	349291	280485	3034368	1702064	855051	1741544	2882364	441094	3197934	177671	581714	3733433	16590381	2076370	463200	125528	931493
N-isobutyryl-phenylalanine		60425	68902	145260	1639116	403856	20061	48907			68860		57566	48717	57084	104735	129010	85670	151527	49962	65255	52018	37461	54945		629024		33758		80026	1518510	191893	3087145	202721		232080	40620	61857	21761		31538	65555	144306	37383	74400					197283	109094	515678	260767	410199	139373	85330	59730	115918	159208	190215		41420		94395	48914	54200	171198	50493	2219473	144770	35310	118901	74387	55762					90442			60150	83949	456768		136100	107299	51678		38847		73147	57850	25470	20358				50617	365167		86568	79963	102772	83428	41933	333961	44681	37329	51371	55766	60251		103398	100239		214915	70246	106775		621497	38515	247492	48928		49515	563189	367676	39260		144065	47662	73767		740767	43348		211592	40043	228231		251518			316373	39472	89723		96093	29363	260676	66403	809883				68184	147555					273345	114758	72345	389919	277759		39136		68644	193294	849152	193748	26655	37083	66649
N-succinyl-phenylalanine									129150	869678	42706	359330	42428						1499547	872645				150365			70644	35180	123610	165626	1427080	35261	2561087	137006		1662561									55732	82153	72463	106833	41845		11437					201072				268621		153486	206239						250969	341523	718057		181804	856892				633535								120561			222824	161759		183100	231810			56111	299615		150962	359697			712811	269985		892403		540938		454410	61790					223578										105435	531561		334211						270379			934546			598518		817777		56884			157572	607601	113070	233198			178838		89120					220955					132851		57870	1610285			280929	187755				1738923
N-butyryl-leucine	276137	370499	509447	671837	4988915	1940167	183235	1183384	916777	2113024	1152657	241576	3797924	752414	1707604	1719018	386885	2401704	1111391	1593059	883916	675250	181655	206038	1146425	1627281	422228	458363	157258	763989	20719059	611670	65491249	1135318	774961	5136945	243454	625597	943820	1336081	792389	269561	1422997	1686383	5070741	1184121	846898	1579131	727674	4111948	575614	767543	2755439	2131735	425692	2328471	894200	745913	1086287	1333186	608106	1187416	950167	231935	1014756	320150	926189	763399	20736648	442874	593169	603876	1307161	1584148	354730	310419	315113	2496960	87061	587224	1157670	1507510	1714103	7266813	566368	2136358	770154	348105	1081034	810999	90782	1296918	585143	1613484	5646458	405177	1863253		1910174	1892110	385963	53740	1456887	1430870	869306	794094	1291474	751091	733318	600995	314960	2600300	997373	521916	605972	3554356	915521	737936	1002888	485689	2507105	964663	4032544	534245	101041	770091	3658673	1101073	3777811	875663	608776	163706	140553	337815	547138	349943	218379	1589415	471678	1049413	642164	1223131	239586	85372	10683208	1098952	765138	161454	1813548	207976	13845019	237799	37070494	1054333	285912	776530	755071	1233716	176086	653738	477246	567284	2358050	1958792	1170931	1506767	6513313	228558	296134	481021	221902	1869135	5155136	1019353	882555	245570	458718
N-butyryl-isoleucine	129308	219007	252351	400997	1391170	881670	81901	631470	1156396	1067772	614242	138350	1895846	393924	851183	833632	155419	1358985	368098	569286	509129	398525	64016	131531	199356	538363	215172	220854		524780	9856240	311436	31515917	608434	393818	3670542	108188	233570	579425	807458	340232	130939	939112	1067079	3024695	600389	458987	757025	229426	1961942	290576	332389	1757741	888333	199281	1502115	455199	469442	453972	859239	284960	745212	572248	68626	600018	167237	530471	468052	8921930	256857	383543	334248	261704	866573	171343	152810	117589	1347957		314995	566714	917397	1015421	4174330	240666	715383	316691	104611	499106	457160		850864	327874	989070	2131724	341393	1029179		1242741	792181	157623		1169144	927632	415472	581187	565544	605174	284791	622553	138040	1497645	700216	290702	326912	1863579	445838	247074	493133	276453	1289903	498152	1952603	334868	45295	409595	1767713	613549	2189641	407387	264911	124703	62135	362132	194145	179345	217799	569318	205942	522062	449942	568890	134054		4986408	659452	490089	85529	806127	111285	5887918	97250	25143709	590878	93429	367241	416810	781031	107301	331918	231588	264777	1410972	1184327	547640	856265	4449211	175341	198081	314040	146990	1155658	3496545	579287	461366	113955	264859
N-succinyl-leucine					163766				92241	880305		133367	193669					81525	1516474	975489				68412							2672595		5535606		231530	4049297									44824		134024			211186		312107	150658			169884				144972		292712					89106		570809	774151	716807	112202	168702	2099358	165706	295305		595750						359331				94179		221145							232780		146654	353680			886851	654702		845526		96829		346901		475718			129231	224784			101550			317932	182479			75443	338087	97602	218994		83300				50615			777391	53056		147671		548180		87990			205584	536833	397361	220174		49419	219848								57657				171312			337745			164235					2724770
N-succinyl-isoleucine	80093		55882					63419	58663	297210		65510							872863	867633						49405				83584	1013579				338939	3004049	24169	55460																	58747								161864					102362		194470	309301			803574	183198	119173		435395																			103411	141002	85950	579987			437845	1047633		1005724	80089	94620		517335						139040											72600		152099	194188						95632		323209					483342					76760	121597	96167	59702										86521								287519		37693	124707					1402646
N1,N10-dicoumaroylspermidine									351477	143199		8942020		1469666	585157						324372													478225		1160673		46661				817474			59725		57737			27733		21380		1151965			84029			136801					207336				376502	290195						182234		91328				341585		246365					84305				40686									159731		68990									1858963		360838							78484					155280		61200									101700				43986			46070		233083		148172		134052			2479537				457022	156328			438868													245143		
isoursodeoxycholate sulfate (1)	900162	9173807	2708398	4787358	2811652	1942773	6572055	4349266	1373913	15140929	2960900	603654	10564301	5663854	75878	1093688	44049	3284790	7121086	1975203	9111941	6610375	5946320	15870971	1004930		7278130	1503991	6788659	12060841	630561		1788866	2492151	1521549	3702965	6436598	98049	15298316	812972	5587718	12871400	5353847	6307995	5548681		1943251	4008044	5106327			3353970	429933	3128169	3158137		41671	1493001	2109449	81838	5128513	2877321	4811166	23839790		1723913		3678832	241085	9624279	6669896	25687880	6233463	34023873	12263697	6247138	6208153	17017748	5743996	12152605	11406497	5505676	2894148	42049138		498111	596331	8617900	2141616	5613538	4584209	223899	3287651	4743311	4028473	7373293	3095426	157212	10215660	9783856	1206769	914270	22796215	4918431		10828724		2359529	1278832	1281777	1521636	1416292	2130290	422791		357816				11178950	6552355	1925525	2334873	903187	6917215	14978296	6012988	6754854	29795074	28339800	28834592	5625551	9081766	2960738	32621024	1816836	2104042	4635142	8838734	19511054	2109131		364599	2980285	7686090	464534		2771456	6997368	17649683	943856	6006350	3728658	14702090	6882292	13976822	414237	2717573	3824884	7631198	10863042	4605628	4811004	5460554	7971005	3460397	6866671	4653023	1555101	3742408	7562120	3621021	7273111	3023484	5670083	1742339	7144231
chenodeoxycholic acid sulfate (1)	1028987	4903760	4128684	4176963	6593726	3531725	1726412	5457772	588297	2306716	1179780	656766	4734435	4697537		1648360		1673093	4459510	2013630	3807746	3039935	5642016	1293895	1606516	835776	2119839	1812674	2462745	3288891	1758000	71461	4975316	1775922	668457	1995452	3697144	827426	4372512	3315321	1913269	3811258	2754307	3924258	1876319		2185373	4218893	2650256		99403	1690185	948774	1834941	2621838		64630	1670789	2112786		1072739	886517	1104764	3543585		3088956		5993576		2024655	2271623	3969338	980978	6842291	2935940	1501415	5337734	5237715	4773106	4584317	4606390	9190022	5114312	11823577	145351		2864086	4391934	2128947	5974900	1112294	71911	1580709	3831618	1060059	2399677	885327	705368	4253294	5759286	893132	1734187	4054488	2618347	88738	3243884		487421	1874087	608314	1105795	2112828	3323911	190144				53473	30325	2212584	1599334	2437708	3951861	1642962	2878369	1461118	1525128	3306738	5079650	3926452	5087087	3134116	1871711	2103311	6518406	1173976	1746343	2875160	3351405	3685318	1712234		622252	1304242	1532506	1212663		1103715	2344426	2559999	736849	2255471	1027472	3917394	2643394	2707308	2011711	4120267	3807170	2740399	3211000	1608444	2423515	2027898	2577248	2532485	4099847	2471517	472772	1301581	2793538	2847652	3670321	1028368	4538026	2721552	2998280
val-val-ala	438057	408791	1430228	1647455	709814	758463	1363559	2041870	1243454	134379	2142454	911022	1325441	1512815	1554108	3208336	972518	1321395	99505	119466	168027	245236	239404	210382	1048666	1656650	253022	139955	390427	337351	891669	1706017	846958	1184053	1629839	294044	188512	75628	175978	829047	1583658	1664044	83035	82703	1451054	2509559	2344062	1840216	1143065	2219799	1760783	215577	1431906	1377497	829632	951281	1275092	1090700	1216652	1040572	1625588	232702	216215	1596276	1217427	1593517	1046462	1232712	1077324	103853	83779	101803	2004652	586976	2561986	540440	1835312	447826	389862	1036977	931067	104409	375543	469748	915279	1273807	758545	835760	1303044	2502571	961199	121394	131843	181065			1870954	265683	197807	310083	422965	59616	1394009	175377	2324628	813364	1711188	1823513	2251424	1839082	2216272	284627	1138650	973827	1401654	1714986	831649	1664209	1701699	222303	1814758	52151	3692075	894041	770367	1521813	930716	42965	1892196	1457377	505091	1223742	156349	608278	162634	41005	1252793	304892	61564	210076	278727	1710614	1856706	89523	1577710	2161182	825401	352865	1598217	516853	844715	1421689	1325476	2079638	1517103	170216	578356	1676199	1257439	2488073	479802	1898285	1207378	1755215	2437087	1914441	2279822	190960	174555	316032	245354	2186460	1753328	3530618	94607	377794	
branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)*	113782	497200	340318	127939				54864		1601698			1308847	411199	2155642	289704		701660		264500		118159												611334		470052	555173	295407					971816	70256	252035					266845		1041453	223531	401108	229008	245314	340177	507647	599957		1069617		173949	161794		91336		395060	1025562	449181	537065	4791430		307098	907815	396168	343412	135386	540657	216870	248224	347629		199830					572772	70935			659654			162216			762501	330779		573369	1352584	1392278		770183		54893	511688	782764	1010430			200705	214101	744182	215781	414717	579944	659500	166998	367937						165570	2596986	952227	537338	1436514		540106	638470	204765	297067	381411	463564	407298											102658		494722	793655	89135	1513674			1533053						565648		530498	4408162		218399		1074166	327825	152863	312267	116030	816526
deoxycholic acid 12-sulfate*	3916640	27029996	9918155	17433107	22827813	10848510	33447716	61298042			86877935	5537721	23239827	25612232	27186	118009		4460740	11361177	14939106	16044202	12663723	17578572	5871288	8634125	15623258	7609620	7194356	6159365	26926888	47777820	1082489	20222089	6706297	6025292	733784	11897400	803340	19601276	11250574	17539548	4844621	5451820	15870017	3855957	298257	7098836	9611490	3583018	46636	52001	7835660	12157250	19205943	12959553			2145029	2189927		6445423	1638723	5191891	43935063		12865882		17256286		5721803	9067123		1525883	15477659	9732203	6110145	15260447	16245937	26126902	14266942	13723888			32998110			8223342	1183254	4336771	8328107	29442324	1899293	30438308	60935372	7980502	10040053			18856671	1362866			14406970	9882369		11399526		6184187	2463534	2312671	3026170	4447588	6957786	474758				60378	103262	1206480	8216301	7027930	22132001	16799515	19982005	36149174	8777402	24963738										4679278	27985305	8356209			8697159	4934976	8231191			3227702	7439179	19765	2397543	11443138		21883546	11791983	11520402	7648275	10915342	5257755	9376603	7135784	4506016	35724234	40257598	5149688	4263929	11907684		9176273	35714386	2002526	14069930	46742886	17700466	14411463	16175316	10085672
GlcNAc sulfate conjugate of C21H34O2 steroid**												514713																																																																																			23420			48464								45457							191409																					36546														31331																													
acetazolamide																																																																																																																																																																										2603476							
2-methoxyhydroquinone sulfate (1)												11860113															9206216								479345												9988448		9755946														4624801															5146195											1042955						8990403		850392				2217093					828273		98501					3034662		586872	19022476	56448								33296		806838		3023465					62939		90101									171563			1353762			1704406										1249362	32699							2797296								
2-methoxyhydroquinone sulfate (2)									18141			51750															328971								378318												79798																908474										627316					810741											203930						179992		52653				88376					271317	29514	23358					2624343		51216	670218											430146		397396					456023		389940												686517			61115										216360						90524		442952								116248
flavone derivative C26H28O14 (3)*									184544	38798		1742778							137688	60859							159366		790143						232695										403469		77391		643571			871527										123242	4290468									159961	673656	2104644		892752		2410226										109630	1880865						353426	103484		568194	32472	440199	89068	67325	196541	291575		76156					36962		2586650		23599	715490											206431		136886		360362	1151847	1353519	293784			85772	46575						307493				536351	295244	503957	34199		938710															367868	78487								
flavone derivative C26H28O14 (4)*									98913			903312							91824	23742							244247		587943						405810										428609		49083		379048			452558											2631635									328520	631044	849697	52810	734752		1213335										282830	1213037						383256	69406		222306	45761	355039	55185		173884	129429		69394					38640		2443725			531289											182658		206971		248958	1057432	1133463	74144			61622	60065						176906				294518	43797	402501			719913									30360						154082	238680		22406				64760		65902
bilirubin degradation product, C16H18N2O5 (1)**			70608	128255		338363	546534	436612	188755	357040	577434	1080560	234623		259113	184695	647430	197415	885064	334628	175529	65113	324038	159497	562905	80270	163971	333826	533045	110450	120279	84336	77212	273881	592577	327279	121684	145198	154786	107792	351262	154979	327565	753017	469021	332264	478302	81004	527069	79002		103767	166060	530334	166185	57339	132372	113016	281475	136598		214569	397123	599847	241761	675485	397427	257047	63388	537675	291317	289274	252469	460516	332162	241213		587932	179613	77592	72112	404449	413626	313588	84095	161104	285016	934067	372155	147644	359853	132679		286659	345227	234776	405123	91916	408568	130448	603073	520840	426411	262984	73800	527165	91784	414805	154018	97383	130803		841374	168704	70168	54068	64105	189466	130075	77435	45412		648141	97534	160111	942105	647871	313708	476328	319346	293607	62740	253549	137691	121136	204648	65764	301185	403309	520632	413914	125312	456192	36416	190734	266885	183795	336908	291128	332806	124874	207689	192080	397979	201512	72365	51668	74250	221507	708248	297522	559673	79904	156509	104491	438449	212875	242513	128289	655694	307486	264113	85943	29085	356370	98138	303640
bilirubin degradation product, C16H18N2O5 (2)**	60746	48920	67325	99638		120413	125030	89153	290597	109146	230803	548110	113214	66703	83865	111329	217275	60054	601898	127901	109650	34817	115982	40168	150577	55025		75659	109620	35873	42736	27956	46826	100979	205260	139731	44433	29259	159488				87289	126572	135222	66062	83223		84271	23049			36363	88253				54166	70168			53500	132031	155139	110986	158068	96147	58550		139906	53122	197968	48065	237517	140317			318411	48389	68449	76525	102749	117243	106974	41405	99531		746221	54540	85052	94105	56767		108793	159791	110680	70828		108357	91881	397607	150224	233181	90501	38717	188175		81251	104443		38767	68552	409558	115434	35898			131959	50765				147847		54164	316368	446423	97972	126763	71843		52151	114070	53963		87131	21836	52458	114370	103308	119795		121938	31939	86209	90458	103381	112826	87842	125751		89431	18790	234655	128862	80353			189282	106532	100434	141341	48663	139692		162282	40002	95837	37032	129934	82233	60077	39575		100642	92121	81846
bilirubin degradation product, C17H18N2O4 (2)**	206913	235712	157359	432864	123741	412668	275423	100987	364353	765059	348619	2109347	616138	184088	181875	126174	320902	107356	2160722	266016	320960	237810	267610	114805	247954	75085	202389	129560	209423	425529	87362	61162	374213	168357	1521337	971428	131724	29821	365525	109124	125187	51375	404682	154356	514508	295078	145863	116965	339829	177401	74589	148980	50054	208590	147426	25181	54379	128885	367439	154288	45178	29205	88041	158748	182713	228640	163411	323986	29434	150805	184579	231899	112385	963885	334738	139585	122881	1736332	34471	608583	491144	191237	225307	396004	84803	243415	113865	3762483	533928	528846	395172	168856	51255	440602	1204682	577451	545627	154496	432482	224289	2942227	908680	1980855	246725	73820	546661	112371	277960	332834	97219	332654	294085	3106063	259804	112146	382041	77135	613172	361744	232824	145704	68785	222283	124477	293971	6648782	1530362	292603	552889	560896	178346	296188	72186	526013	33590	177346	36680	334030	398829	920988	254820		193568	279609	636690	644755	295785	522592	255204	499544	431107	513527	224739	1307819	387326	498837	81525	113333	315979	94756	322878	211065	203680	181104	117049	230649	299668	138933	416098	370558	246329	157999	150303	184320	1224102	302664	1013223
bilirubin degradation product, C17H18N2O4 (3)**	170567	235390	138742	278370	35284	359280	136926	39363	864619	1045464	209443	2200351	731808	194251	142478	85585	149029	99698	2742894	224039	270636	185344	125474	95976	148357			30641	100191	284651	44369	36756	235634	157152	1427739	819449	123736		449225	60981	48606		402152	86410	482821	168275	56398	64649	272792	116838		56617		126914	97306			91591	291923	76740				99554	94230	116091	50083	158485		104445	148065	209144	88467	1515311	396399	102755	114276	2236004		625658	496705	143803	173629	407890		192598		4067421	572548	407439	94826	136540		417525	981167	809027	399749	143922	428767	174052	4009043	1088555	2191827	270279	72177	554154	47457	194866	321314	77059	246905	207605	4074049	222970	62912	419639	34995	538856	383992	247407	128889	40674		55494	113856	7135688	1677536	315434	585120	657214	245987	286711		657295		124723		218934	343957	1340487	114018		138615	285459	573605	370530	171519	586964	226652	444246	311634	401470	163353	1558876	341700	579384		72014	470481		269269	113337	211131	214347	129164	148743	416195	128084	293036	165765	134138	151809	81991	178890	1264627	280240	1251411
bilirubin degradation product, C16H18N2O5 (3)**				85333	33068	59684	37704	79819	58003	62472	231422	509002	38962		81214	82214	131731	22913	199417	29122	65389	27674	170667		39372	13587		103341	134626	61890	34679	36114		35406	156647	72710	57643	69201	71454	62180				70175	123475	140371	166207		177908		31640	35230	76049	53678			63655			69471		28285	83558		121535	127406	188301	63349		75671	88459	165881	46343	111833	74048	48136		253065		25999		34936		47139	46774	94876	39213	374702	67461	63626	74272	40601		38441	133105	110040	167818		140688		282616	177781	180900	65775		248585		87294	61507		63972	53990	357731	75834	32587			53286	27262				306365	26953	34262	168771	246842	44198	101344	44391	33350		88576	63621	21122	52653		77053	120130	119599	102376	52738	176531		73042	92953	82039	150374	68188	81929		93011	33362	71971		23245	29503		104350	108991	142804	133420		90589	39870	109630		68318		56084	42595	37463	56490		52537	40093	29216
menthol glucuronide												2099364																	256151																																																												2583889																								20753379																																			296100			30491																										
X-07765												237524														41621	411474								1799873										38940																																	908150											81220						91905		19005									48251							558085			102486											51711																								130713																										
X-11299										64160		472836																		215462							56363												64262																								120176	474968	199931	115270		3293844											632213						44870	119224							120181	223801												60404										92318	132969				226955																	183663							164107				43762		35816																
X-11308	2026844	1675656	1059679	1003809	2234129	1697541	4946218	1127252	772907	5160054	1749667	164478	2370443	933641		1008117	230646	1726614	580080	501149	1281196	2069574	1990429	4205387	3407241	779700	5191455	113844	1515955	7365426	2336701	264766	1808926	819249	427744	4856726	1544953	1741747	963443	1425166	2707918	4573726	1677838	3512440	626849	2225087	825991	2005888	1287445	1585954	1953855	870849	428071	1269600	2766862	2170601	586839	837272	1634504	523705	2694611	2342712	3301221	2134782	1017588	1187620	5529988	5698604	4705182	2993763	1780913	1527055	9847442	2132339	2745927	1085972	774921	3344204	1577690	5391024	3823834	2681395	1848233	1621513	563379	563569	1516283	618553	493884	3239598	1097766	3576806	1590433	2349668	321607	989636	914204	1271948	4214514	36377954		4350125	1413260	1005377	1126512	815471	2511517	951446	1606286	520829	835609	1712345	626228	2042239	472720	1196195	818220	4147455	4218356	2108716	1135574	2440404	594494	5541937	482666	477118	846767	4746876	1232098	2673166	1121973	3096084	580201	1610966	8652611	11762628	3198649	2346495	3151587	1517153	707573	269621	192283	1647390	667492	560376	1212812	670106	1400635	1927018	515021	1126794	769043	2069075	2270685	3759189	1343675	1791788	1994858	1385213	1981223	2483243	5145305	1155497	766158	4147717	2548154	9676952	2024531	13735354	3653134	1990986	993617	2915476	3128935	822715	3029315
X-11381		133909			156640	1139291	215840	234945	93404	124369	223410			388237	420355	848481	279494	401014	172810	175133	1487426	209681	333330	169291	120148									101799		286996	434851	919541	246790		59132			79042	79730		37374	186969		209673	320636	156587	185025	526230	241215		113630	438948		276848	265737					2239773	89336	167308	266957	127296	134342	334790	314510	357709	440408		326740	81105	345808	75824	165600	415651	177475	165639	323064	216464				124447		115552			89804				368745	276497	358893	203295	78395	112725	281542		177589		559694	153338	301690			432680	373500	174057	267440	272365	184140		194874	146516	308645	653985			136308	185632	259079	311366	225602	179606			232191	6297721	187171	188276	119799	130057		165130	190924		198276	1225907			266000	199126	213343	164482	827533	726981	917719	496669	488565	723003	496298	1057615	260257	377638			145581	470490	401960	91698				210434	201447	270600		296472	
X-11612	156334	33833	149728	84871			87254	301010	254853	453644	590030		532068	184606	180859	678605	444882	280698	409774	33510	168381		102822	102649	133127	250501			93977	105502	247713		567532	129193	397906	2400461	37323	112956	113123	328316	437590	179210		850052		1124597	228872	116195	81850	334533	689865	211636	407654	206195		937221	622335	190252	79691	872379	119991	156230	314630	343207	1662047	363075	751013	1174215	590872	175673	78776	178137		39885	51904		69274	57558		123622	248655		363805	351013	359932	529344				648519		788919	566850	74895	52149				589816	211543	43681	40285	110661	57491	578248	46867	708623	104338	770316	40531	282150	82357		33370	222496	279685	42091	96264	767438	124417	554515	165489	1747811	677628		49101		408687	126099	656605		799983	136079	117658	34143	515599	442064	341075	519660	37505	58662	207222	262464	93914	65849	567086	65043	72791	185838				198792	188868	68986	362230	270716	598056	53069	500317	498112	466488	140679	762298	210300	197937	353878	105688	195026	55818	50223	59198		201383	120959	133670	871069
X-11849												353911																	47673																																																																								256798												63697																																																																
X-12007						512404	1053114	27641	1231283	1134322	1034171	2189143	39497	1073780	106833		37507	20021	2651138	1649131	192642	262443	782544	1257427	2405253	4907431	1595890	2533927	1622098	1074642			497899		1656268			323418	1826618		537991				218956	620240	1223911	2577570	2178998	168551		31540		217107	30393							1482570	1663030	2700452	48393							429772	1594354	3174490	2409059	3124337	1156883	1945358		1345904	1431860							159688	1552942	1857776	1629744			200854	1821057	799577	429354	697297	320403	969803	498041	1737199	2391156	5757837		4589222	80371	3350726		2707833	69427		1085523		2524243	2231378	3327055					204112	1123361	2837836	2283962	2628699	4297393	197284	912604	415213	1146959	607045	1275677	1583027	439528	796843	882109	1449262	190140	1988176	3091394	1197826	1963171		5363578	810799		521161	1043008	691914	2169558	685859	6897233	2128500	2439215	553233			1069650	2992921	4543399	2204566			1069183		83655	1818346	3560551	4785985	1173337	494534	3071415		1948394	2194404	1105806
X-12013									65720	29366		51959							58762					126497			67721								32257												100329	38432	142263			73917											286109				31267						38567	424586	67120			253550											296853						62095		94586			33065	5811989	540586	93265	59277		1858051		87181		61784					399845	447839	143780									55512	99067		1129685		1764021			206225		628742	25086	420560		183124								336662			49400								38147		80264				384944		149478	62852	2935894						41013		155885
X-12026	4434922	3332966	4183323	2796119	2939337	1649735	3100855	5002803	1554335	2445538	2090199	876488	3486696	2859845	1993173	70915	3710415	3858590	3755119	2254012	5676338	7675927	7438234	5971551	4221785	1826365	324155	4671098	2169580	2093348	3566796	3372270	3969073	3246922	1544800	342198	7983361	8416111	8117184	4879017	2220170	1934186	5877116	4549653	2118546			3286288	1665592	4153763	2181349	4490903	6391086	5486230	6541322	2056464	5120475	5218773	6479868	2705527	6576469	1067256	1490048	7678565	294781	6221266		2248977	1186896	6104572	4031378	3423901	4758316	10149690	5144261	1469904	3242522	4518023	5037172	3895375	4136983	5216259	5432351	5023368		3925163	2597182	2222442	2147194	4073194	2215981		3378052	3889961	1688385	1325900	2392885	488326	3873061	6745801	1772201	3859707	3363547	5380659	7665977	3354699		2156453	4824847	2792125	5224153	7075364	1454840	9619501	2723938	1756752	4074027	8992701	5892518	3101173	3852863	1935523	3470195	3762106	1466301	2749218	3439822	4912803	2785037	4529898	2353146	2561008	2791211	1585099	4167337	1551346	2022444	1756345	2120281	1925346	1362774	2177250	450200	2714517	2677953	1359536		1296476	4019183	2505565	1912773	3245502	2139546	5239420	5322961	6568195			4085500	3597342	2263858	3060412	9196858	3829140	4783703	6391800	5720931	5343745	1893177	5720645	4119944	3943799	5306046	365183	4309109		5952018
X-12027									132558	517391																									45363																							24270																26869		110753		725386																		165605					2976293	426618	1946849			2889434		306864	28949				133415		204149	1315105	138149									245008	1336732		39755		195645			382311		580097												6185785				46445													146067			2276719	1049791						859347		114728
X-12193	162846	198734	301290	130019	47499		381456	361634	229250	166154	143281	181756	264228	355022	133561	540023	322979	188339	167869	153282	161234	165814	132335	196966	145562	342188	1324838	239908	230881	237352	102585	79803	325334	251613	490829	159997	172547	128057	466521	311436	636347	223821	242045	194393	181198	277720	309083	176571	338300			195296	198428	285217	195916	282100	263137	184334	212342	227962	304521	311003	1138540	195747	168181	164021	326957	298952	218346	218553	250972	278330	321704	265717	253190	197625	254117	914612	326836	353155	422330	106108	241107	190271	193752	276615	155389	255565	1135371	151712	169923	164836		293984	518127	71351	205203	277060	402952	628846	230628	162807		447701	308964	456350	346861	384267	293103	136853	181833	186736	292432	440676	119288	312025	330320	319451	61604	234940	80803	318539	475036	969715	121600	267007	136534	177377	305313	349676	258426	361859	320451	309707	151533	412355	358559	353238	218308	198322	246463	198111	648820	148702	282738	335900	360909	123824	354441	213038	244796	233366	263723	171432	377244	125703		158764		302779	475569	560930	331063	183712	206632	258670	328417	297898	206346	152942	174973	236196	280270	415447	302789	144003	172067
X-12216										42599		670375	86093	83284			45410		132427					52089	134884	109134	931195		194759						518789												321868		360232														148440		49833									230972	53996			604199			77207		72740	137293					85394	70961					1389297		257136				745074		133258	129110		731638	585455		157077	39668	101274		221299		211085	1213035	226095					290325		70623		51385	280206		932398		403688			321427		207507		345744		42943					118341	241416		543965			492509	96213									286477	97425			403414		112388	40385	1888427	66990	210889	40683			155465		148225
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X-19917						833101	171817								88850									45796				184648	29281										131309													671541								181696		446503	89523		109293		112788												56835																164794		109138				269639		194485	141337							105606		220296			128398	83948				183464	82681					250220						52279	45367	150637	174253									168477	97733		236550	540150												79053					71293			203360							58546	
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X-26162	661097	5551137	2661295	2177491	1708434	191863	5244888	5198607			9530401	809584	5801722	5338278				1783560				56962	85583	486779		3242879	1514113			4574588	7162247	173966	1850465	595124		164219	189323	137840	354205	2537563	1780582	614405	542355	841342	711188		1113238		241788			41954	1525185	2755051	1523845			293831	331083	85881	830355	178531	694370	4087554	87090	3176522		2666949		758043	1791497			194042	1727221	1161768	3798900	3967285	6280531	53243		186208	1072060	8419971		1232585	541311		356662	90823	2663422		5535708	4238942	741242	231300			2780771				99150	1053166		1595562		1277394	396849	169924	521114	384141	382972	110921						178777	1033948	669782	3277845	2137105		114413	255751											701675	4668755	1135834			1010762	741162							265795	1976533		321659	1418040	1478284	822613	1234988	34305	698820	1068646	682141	5067576	4886217	615398	225225	1523489		926686	4239598	213186	1715471	3938407	2264066	3575967	2346789	316771
X-26221		3139955				727908	2160321	4347869			333791	1310881			742082		3146179					417604			856343						1319867		4497838	6576897	4092654		394729		548769																		3643879							31191242				138173078	787144						136552	348325				397897											511316			3017478						518132					3650025				11001098										3442724													1898209		115242		302211				257053																	12610588	21762992	452372			5026713												1310154			
X-26223	686168	8622087	1340201	4928994	1078759	2975068	3570069	4781666	6007967	212714	9333875	4135434	488471	1070365	3864339	732721	1420051	1940171	5623256	1072305	6238413	275845	1082200	1116347	683120	788680	1876114	2095463	3528581	3348474	4367003	640935	1095434	2406606	2572574	773618	1575029		2746323	2951486	5430639	9462882	2131764	1435993	744297	3714447	1460828	755965	863554	1536599	3794761	1535231	1441043	938445	1226558	6111252	11142212	3621387	3532828	12334346	292106	6130053	4655038	3159720	20698557	9609916	30720997	2290963	4593225	1405695	6682784	491485	1974851	5594651	1048766	2932784	2231715	10382644	804482	2622774	2177145	1560129	522444	6923189	4795735	5203399	1925431	8624390	1025602	1823220	9827769	5411574	5716116	4185645	2549719	1709132	4247403		4040191	810311	12282365	13793332	44111440	24727907	1205372	4074388	5220103	14334279	4242830	2941228	3069212		868383	1060584	5752241	5465891	752023	889995	4750244	1573737	4703144	3911721	7057949	12252927	3189669	4531568	1773303	1970425	614713	2971105			2963793	430441	3015547	2436905		1390973	1752128	2346359	3396504	6481052	2037196	4630136	5177924	7683679	2908388	6968606	9112165	1894302	4371649	3140380	1660392	1862316	1282701	1285325	2184432	4626065	3321750	5098032	2766757	2184435	385556	3325380	672046	5962726	3795871	4155643	476246	511383	798189	2461212	1921981	1012749	6113988	986713	6234052
X-26248			119191	74219			85284								133993		145160046	3090588					115642	219052				281401	58348	71491					122133749	102708											159448479	91112000			1229793																				41671																						406827	3613499	287900							61859	298201	203959		31679227								297700	49977678	112803552	32005917	1834847			10039176	2384417		66399			90786								24409967		53836			335782		59592897	71252342	78064166	55423	141239	84360																	1712129	1181490						100185	301565	173989				
X-26252	610103	595086	1628107	1292965	588451			1442518	89418		921711	61371		576606	278476	2137792	1843290	169238			805685				1634513	2524312	860837	1205649	1285664	727747	2656406	20192222	1097307	2561529	154186	652871		272000		1082761	2070898	1651364	1098934	1735181	456711	645114	3033001	2319233					1016677	2349215	882545	2628806	2558334	416378	1045255	1296581		102062	106054	973573	1789818	703286	1704477	1914631		254081						305209	1335670	214465	719981	1947166	1847579	3108792	2303620	3092999	1340142	1500175	440978			2159258	1298660	870835	1239744	626515	92437	274163					71573		1250749	244671	1721052	1045104	1767245	164512	470544	210827	285294	1083783	49646		466055		694510	1742999	666284				6385931	2993666		6296287	723739	5633762										271358	2334750	2029947	210637	10561951	16952038		569079				150354	742988	213816	861797		863547	1939913	1015852	1323531	1990358	227162	908761	563585		3890325	818548		842851	1947647			394803	1544381		487125	833640	686645	1313851	1146871
X-26253	974655	950680	2360280	1778677	862508		9610059	2405982			1096648	151310	16055228	874597	1059684	6056740	1476702	718264			1324024	750231	2129716	2352348	2455530	3274961	2025746	1532196	2293499	998451	3193996	41370607	1669565	7333529	588953	344922		342082		1846709		5447908	2585791	2798408	776366	1974225	3272947	1978812		42956277	9669742		1521550	3436073	1657583	4212991	4213076	1185753	1600114	2285129				1895561	1582301	1218678	2301812	4640157	7880424	483031						340189	1409929	199856	1507669	2041621	2154232	2767491	4656123	3327402	1971213	2343572	1346086			2342486	2337064	2217323	2315365	643985	76480	376519			5915633			57362	2478026		1877725		2505613	314298	437809	316498	417136	951489		5818873	476935		857249	2482679	691226	9037530			6359176	2686346		4580194	631365	6107631										256558	2705624	4161655	237346	19546571	27257450		780444	14882439	10425854		216122		342248	1476156	353510			2040621	2458190	3620806	123099	1555310	795603		6473923			1405903				886264		15123181	791367	1182465	1016026	1067936	1415154
X-26254			35599		30062		835367				1898937	3525655					851120	304991	1414503	20375809	232356		2032083	215501	108355	343880	11961517	703322	418172	55641	52143	91931	49595	29990	100533	252789	90346	410860	6829967	142646	2331594	283219	49244	388526	38562	208270	1627592	346189	59212	1280884	720989	1412125	165197	264003	996892	55364	214906	78753		750007			467504	81848			56970		80310	165400		1164638	607205				94730	2559575		290057	297224	37973			556815		172558	3108777	447232		130529	168364	35850	43664	283990	218674	214605		146614	2099227	583707	776147			68107	208568	36471		32474			1693373	166808	64926	44086	9336366		209006	244201	6492087		76611	406716	58757	364140	1092935	750654	149381	84582	212988	215509	241912	2150587	787665	4320623		3419404	154232	81203	1290291	991796	763662	3929608	1188907	604786	371822	683759			2178672	8769486		118253	52794	53934	413838				1558345	7604130	133783	239243	1096595	35590	153846	300846	4960724	107753	773792	32649	67539	136590			43585	162319
X-26265		130472		67710		66791	1124164	310730	245824			175134	782801	449177	658302	514597	113518	272517	198800	386143				451670	31493		133626	188635				208482			59914	28335			289656		140785	129745	81327	74568	254910	334157	356883	536918	372488	108377	30747	516923				55030	177087	67222		1825917		1194350	256113		282237		90815					68227		247853		302337	93478	541098	765810	712635	844450		109788	484030	131763	596585			482000	508970	153170	33576	81804		656289	319519	606018				1075798		852608	857230				566117	789624	568428	1596432		126507		309526	474917	800278						115966			190989			80977				105516	176677	295502	327148	110641				162993		280043		731727	324481		624959	1576634	499038			791448	2030295				232475			312113	518413		277506		1000302		204058	567553	261854	279287			544634		678828	
X-26267	2601536	545253	2463226	1192133	478672	799722	24133878	1376510	1419057	179353	71236661	3377939	1070890	828825	1109750	1775181	33748502	12648530	65819674	13764065	5974636	876385	99827065	14260340	4807650	20987290	14232593	23571491	15301297	3208216	3388852	5448368	2119739	2043211	211355	688413	2968104	11017719	2425192	13423378	168965643	3600212	2801232	32411788	496670	7933591	65174539	9439568	3835698	59225247	28584595	1650534	31074347	24347618	45986958	3250345	13273621	5523920	203842	40468366	1529564	7751946	37758740	4169316	1787584	758707	1978293	783816	2970969	1453203	669544	619557	27094340	1937576	5029584	1063193	5784777	9774875	1112748	9104062	8568026	1174453	464125	1357960	5281009	2083118	7617251	9200508	5381971	969373	4836261	11741673	2429873	2822112	5238388	5243137	1224965	138091	5757298	781097	1595516	10052271	98024	1282552	4945108	5363320	3152821	228828	1848748	913576	308737	71317933	396316	5824300	1781230	18143259	2681267	7392621	9824619	2642419	3163212	7626492	16696109	8499717	744529	28908544	26310813	5569720	2184087	5557880	9294177	4773487	1451991	34728900	2026698	253205	86327566	3848106	4122932	75014084	31648366	69731373	38184400	42740136	18363781	8275382	25844569	465640	1024044	7896648	46664211	3111814	3643565	2222149	1946257	26799594	847038	876192	868742	59780930	68712934	7601455	8014526	40503177	2930434	8163359	17888511	1491058	1987563	27753264	2375558	2631064	9874676	1097130	554395	469312	3975017
X-26268	81232	39433	152594	1348811	1376218	7232378	758092	848072	1709483	541234	1063824	4143122	439412	1808025	384707	910970	3129333	407607	998507	5793441	143921	1120357	161549	327855	477983	401067	5062972	141447	306675	700949	570806		3410579	174171	12526396	580851	503311	47396	1932083		179093	6432569	130101	1043945	2396629	313469	3952025	3213407	1263204	138327	81170	7436342	115916	640188	1201068	336690	440355	581948	69978	427980	329923	321164	452613	730372	456371	185337	306950	417467	965087		651778	9463533	465361	218985	190546	2252133	2115167	615887	345512	2230819	2319834	715025	191484	170200	891761	1168674	1129426	545505	11629144	276772	3294017	208296	173292	444183	553218	1546931	3407313	2235295	961728	1453982	1671579	2714203	96248	83853	692527	1123109	254962	195873	173820	182882	202837	521630	1397755		1422946	4314028	870283	632907	1214927	4182693	382522	999737	356668	2351035	20282567	629456	572520	580584	2065050	492965	163610	7895633	2268303	499821	5893517	12473231	2637969	1009813	182492	1410706	895599	1358887	3528882	4983621	535822	474122	697117	6505136	1603179	1197645	3557091	1426289		855926	780514	198948	65984	413046	107854	280951	478724	339914	994375	300500	542533	188939	178854	1921033	825859	372263	186795	533432	244973	258732	976540	483526	1153219
X-26269	65148	341239	1021774	608658	104279	115144	1576361	691715	786105	184307	83090	450376	1709620	1074231	475617	616393	116841	1255754	444369	343560	189379	815239	483922	860654	230064	204540	447098	102616	246550	239585		317663	826371	290536	471793	306710	865321	36243	744273		735709	1425891	174726	47377	659936	737036	825432	2322705	646682	1482015	270570	215684	418444	474297	367212	363139	208208	1853221	1618798	116543	1666877	823792	652069	1087751	670448	99423	203747	1064662	227170	342896	333590	290736	1026350	1376370	1613728	1081182	2186242	707661	497964	2291870	1963768	357425	645378	794087	45914		473349	277428	1154485	1362449	707311	108564	165301	272025	338146	383532	662439	272392	420521	176014	789052	688734	1782094	776571		1100405	88623	594895	1302176	1096422	2456767	401766	807618	342345	931304	922415	724630	1142499	2221586	1212598	866619	54288	477380	582792	359891	687435	523698	69567	620945	1736367	401720	1128410	287478	490514	147175	53329	267061	486068	258185	555338	182792	371491	493936	681922	538830	297187	92580	570525	1126894	1716801	930458	778872	1404391	3688744	2708532	1970491	342737	330286	2127273	444456	371401	424734	227558	559718	1819425	938363	1931531	1090857	438026	1117204	674699	1188256	768552	1722042	562636	178176	120593
X-26271	447712	1162871	1791512	2233140	751427	1613470	1552930	1863012	1189105	129017	1188124	931016	2966581	2174212	884705	3280252	527445	1113367	163427	286298		691480	321363	108045	1994591	2061706	69432	130526	179636	309412	1175263	2336141	2794045	381092	1474137	219794	90374			769884	3378798	1122186			960401	2342604	1179448	1916340	586416	2000863	554383	75011	1924970	1715047	827021	295438	663313	516292	2962327	420435	2190152			1523292	517443	1429774	481538	1756025	961369				1289366	317369	2482437	252289	3178585	243376	603706	1795042	1789564		99404	221996	461676	431668	180439	1037013	675144	3394700	349729			68108	161655		1254010	128293	96284	286605	219374	69222	333832	105291	828746	672703	795102	1212483	1687190	1823565	2159418	138498	702541	1021815	932167	1089458	234453	3629899	4464657	72183	1422719		1915283	1098512	290514	1073864	410115		1049230	1845824	114920	767357		337751	77627		268781			135029	208473	563932	658329	42694	1879469	657083	112111	126210	1816249	210943	359987	782554	666016	5366003	3750066		149760	434195	2272166	1454168	139869	1643022	607671	725661	1534850	2386917	4129105	41007		171967	152065	1209754	1668556	2774266		3036494	
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	CHEM_ID	COMP_ID	CHRO_LIB_ENTRY_ID	SUPER_PATHWAY	SUB_PATHWAY	PATHWAY_SORTORDER	TYPE	INCHIKEY	SMILES	PLOT_NAME	CAS	CHEMSPIDER	HMDB	KEGG	PUBCHEM	PLATFORM
12,13-DiHOME	62	38395	143675	Lipid	Fatty Acid, Dihydroxy	2047	NAMED	CQSLTKIXAJTQGA-FLIBITNWSA-N	CCCCCC(C(C/C=CCCCCCCCC(O)=O)O)O	12,13-DiHOME	263399-35-5	8412123	HMDB0004705	C14829	10236635	Neg
guanosine-2',3'-cyclic monophosphate	74	37139	127659	Nucleotide	Purine Metabolism, Guanine containing	4199	NAMED	UASRYODFRYWBRC-UHFFFAOYSA-N	NC1=NC2=C(C(N1)=O)N=CN2C3OC(C4OP(O)(OC34)=O)CO	guanosine-2',3'-cyclic monophosphate	15718-49-7	369712	HMDB0011629	C06194	92823	Neg
uridine-2',3'-cyclic monophosphate	75	37137	127657	Nucleotide	Pyrimidine Metabolism, Uracil containing	4237	NAMED	HWDMHJDYMFRXOX-UHFFFAOYSA-N	OCC1OC(N2C=CC(NC2=O)=O)C3OP(O)(OC13)=O	uridine-2',3'-cyclic monophosphate	40632-52-8	3824355	HMDB0011640	C02355	439715	Neg
kynurenate	98	1417	124553	Amino Acid	Tryptophan Metabolism	277	NAMED	HCZHHEIFKROPDY-UHFFFAOYSA-N	OC1=C(C=CC=C2)C2=NC(C(O)=O)=C1	kynurenate	492-27-3	3712	HMDB0000715	C01717	3845	Neg
cholate	136	22842	124689	Lipid	Primary Bile Acid Metabolism	3472	NAMED	BHQCQFFYRZLCQQ-OLRQUHAPSA-N	O[C@H]1[C@@]2([H])[C@]3([H])CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)[C@@H](O)C[C@]2([H])[C@@]4(C)CC[C@@H](O)CC4C1	cholate	81-25-4		HMDB0000619	C00695	221493	Neg
4-hydroxyphenylacetate	144	541	123169	Amino Acid	Phenylalanine Metabolism	164	NAMED	XQXPVVBIMDBYFF-UHFFFAOYSA-N	OC(CC1=CC=C(C=C1)O)=O	4-hydroxyphenylacetate	156-38-7	3881560	HMDB0000020	C00642	127	Neg
hypoxanthine	171	3127	124615	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	4139	NAMED	FDGQSTZJBFJUBT-UHFFFAOYSA-N	O=C1C(N=CN2)=C2N=CN1	hypoxanthine	68-94-0	768	HMDB0000157	C00262	790,135398638	Neg
9,10-DiHOME	179	38399	143740	Lipid	Fatty Acid, Dihydroxy	2048	NAMED	XEBKSQSGNGRGDW-YFHOEESVSA-N	CCCCC/C=CCC(C(CCCCCCCC(O)=O)O)O	9,10-DiHOME	263399-34-4	8142232	HMDB0004704	C14828	9966640	Neg
linoleate (18:2n6)	180	1105	125969	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	1584	NAMED	OYHQOLUKZRVURQ-HZJYTTRNSA-N	OC(CCCCCCC/C=CC/C=CCCCCC)=O	linoleate (18:2n6)	60-33-3	4444105	HMDB0006270,HMDB0000673	C01595	5280450	Neg
laurate (12:0)	181	1645	125740	Lipid	Medium Chain Fatty Acid	1519	NAMED	POULHZVOKOAJMA-UHFFFAOYSA-N	O=C(O)CCCCCCCCCCC	laurate (12:0)	143-07-7	3756	HMDB0000638	C02679	3893	Neg
N-formylmethionine	194	2829	124831	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	443	NAMED	PYUSHNKNPOHWEZ-UHFFFAOYSA-N	CSCCC(C(O)=O)NC=O	N-formylmethionine	4289-98-9	388809	HMDB0001015	C03145	439750	Neg
3-(4-hydroxyphenyl)lactate	240	32197	123321	Amino Acid	Tyrosine Metabolism	186	NAMED	JVGVDSSUAVXRDY-UHFFFAOYSA-N	OC(C(O)=O)CC1=CC=C(O)C=C1	3-(4-hydroxyphenyl)lactate (HPLA)	6482-98-0	9010	HMDB0000755	C03672	9378	Neg
biotin	251	568	124779	Cofactors and Vitamins	Biotin Metabolism	4404	NAMED	YBJHBAHKTGYVGT-UHFFFAOYSA-N	OC(CCCCC(SC1)C(N2)C1NC2=O)=O	biotin	58-85-5	149962	HMDB0000030	C00120	171548	Neg
deoxycholate	302	1114	125714	Lipid	Secondary Bile Acid Metabolism	3498	NAMED	KXGVEGMKQFWNSR-OHAQSFBXSA-N	CC12[C@@]([C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@@H]2O)([H])CC[C@]1([H])[C@]([H])(C)CCC(O)=O	deoxycholate	83-44-3	389318	HMDB0000626	C04483	222528,440355	Neg
flavin adenine dinucleotide (FAD)	327	2134	124607	Cofactors and Vitamins	Riboflavin Metabolism	4352	NAMED	VWWQXMAJTJZDQX-KUIMXZBMSA-N	OC(C(O)C(O)COP(OP(OC[C@H]1O[C@@H](N(C=N2)C3=C2C(N)=NC=N3)[C@H](O)[C@@H]1O)(O)=O)(O)=O)CN(C(C=C(C)C(C)=C4)=C4N=C5C(N6)=O)C5=NC6=O	FAD	146-14-5,84366-81-4	559059	HMDB0001248	C00016	643975	Neg
glycocholate	342	18476	126842	Lipid	Primary Bile Acid Metabolism	3473	NAMED	RFDAIACWWDREDC-FRVQLJSFSA-N	O=C(CNC(CC[C@H]([C@@H]1[C@@]2(C)[C@@H](O)C[C@]3([H])[C@@]4(C)CC[C@@H](O)C[C@@]4([H])C[C@@H](O)[C@@]3([H])[C@]2([H])CC1)C)=O)O	glycocholate	475-31-0,863-57-0	9734	HMDB0000138	C01921	10140	Neg
2'-deoxyguanosine	348	1411	124547	Nucleotide	Purine Metabolism, Guanine containing	4219	NAMED	YKBGVTZYEHREMT-UHFFFAOYSA-N	OC1=C(N=CN2C(CC3O)OC3CO)C2=NC(N)=N1	2'-deoxyguanosine	961-07-9	163230	HMDB0000085	C00330	135398592	Neg
histidine	355	59	123153	Amino Acid	Histidine Metabolism	72	NAMED	HNDVDQJCIGZPNO-UHFFFAOYSA-N	NC(C(O)=O)CC1=CN=CN1	histidine	5934-29-2	752	HMDB0000177	C00135	6274	Neg
inosine	361	1123	123191	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	4138	NAMED	UGQMRVRMYYASKQ-KQYNXXCUSA-N	O[C@H]1[C@H](N2C(N=CN=C3O)=C3N=C2)O[C@H](CO)[C@H]1O	inosine	58-63-9	21241953	HMDB0000195	C00294	6021	Neg
lithocholate	405	1483	125730	Lipid	Secondary Bile Acid Metabolism	3513	NAMED	SMEROWZSTRWXGI-UHFFFAOYSA-N	O=C(CCC(C(CCC1C2CCC3CC4O)C1(CCC2C3(CC4)C)C)C)O	lithocholate	434-13-9	9519	HMDB0000761	C03990	9903	Neg
malate	409	1303	123199	Energy	TCA Cycle	1468	NAMED	BJEPYKJPYRNKOW-UHFFFAOYSA-N	OC(C(O)=O)CC(O)=O	malate	6915-15-7	510	HMDB0031518,HMDB0000156,HMDB0000744	C00149,C00711,C00497	525	Neg
palmitate (16:0)	424	1336	125720	Lipid	Long Chain Saturated Fatty Acid	1527	NAMED	IPCSVZSSVZVIGE-UHFFFAOYSA-N	OC(CCCCCCCCCCCCCCC)=O	palmitate (16:0)	57-10-3	960	HMDB0000220	C00249	985	Neg
stearate (18:0)	439	1358	125724	Lipid	Long Chain Saturated Fatty Acid	1531	NAMED	QIQXTHQIDYTFRH-UHFFFAOYSA-N	CCCCCCCCCCCCCCCCCC(O)=O	stearate (18:0)	57-11-4	5091	HMDB0000827	C01530	5281	Neg
palmitoleate (16:1n7)	452	33447	126083	Lipid	Long Chain Monounsaturated Fatty Acid	1546	NAMED	SECPZKHBENQXJG-FPLPWBNLSA-N	CCCCCCC=C/CCCCCCCC(O)=O	palmitoleate (16:1n7)	373-49-9	393216	HMDB0003229	C08362	445638	Neg
phytanate	466	598	143837	Xenobiotics	Food Component/Plant	5021	NAMED	RLCKHJSFHOZMDR-UHFFFAOYSA-N	CC(CCCC(CCCC(CCCC(C)C)C)C)CC(O)=O	phytanate	14721-66-5	10140204	HMDB0000801	C01607	26840	Neg
pristanate	477	38271	151095	Lipid	Fatty Acid, Branched	1669	NAMED	PAHGJZDQXIOYTH-UHFFFAOYSA-N	CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O	pristanate	1189-37-3	110458	HMDB0000795		123929	Neg
myristate (14:0)	519	1365	125728	Lipid	Long Chain Saturated Fatty Acid	1524	NAMED	TUNFSRHWOTWDNC-UHFFFAOYSA-N	OC(CCCCCCCCCCCCC)=O	myristate (14:0)	544-63-8	10539	HMDB0000806	C06424	11005	Neg
uridine	535	606	123185	Nucleotide	Pyrimidine Metabolism, Uracil containing	4238	NAMED	DRTQHJPVMGBUCF-UHFFFAOYSA-N	OC1C(N(C=CC2=O)C(N2)=O)OC(CO)C1O	uridine	58-96-8	5807	HMDB0000296	C00299	6029	Neg
2'-deoxyuridine	536	52602	165330	Nucleotide	Pyrimidine Metabolism, Uracil containing	4254	NAMED	MXHRCPNRJAMMIM-UHFFFAOYSA-N	O=C(NC1=O)N(C=C1)C(CC2O)OC2CO	2'-deoxyuridine	951-78-0	13118	HMDB0000012	C00526	13712	Neg
tyrosine	815	1299	124543	Amino Acid	Tyrosine Metabolism	167	NAMED	OUYCCCASQSFEME-QMMMGPOBSA-N	N[C@@H](CC1=CC=C(O)C=C1)C(O)=O	tyrosine	60-18-4	5833	HMDB0000158	C00082	6057	Neg
uracil	825	605	124785	Nucleotide	Pyrimidine Metabolism, Uracil containing	4239	NAMED	ISAKRJDGNUQOIC-UHFFFAOYSA-N	O=C(NC=C1)NC1=O	uracil	66-22-8	1141	HMDB0000300	C00106	1174	Neg
thymidine	872	2183	124827	Nucleotide	Pyrimidine Metabolism, Thymine containing	4293	NAMED	IQFYYKKMVGJFEH-XLPZGREQSA-N	O=C(NC(C(C)=C1)=O)N1[C@]2([C@@]([C@@]([C@@](CO)(O2)[H])(O)[H])([H])[H])[H]	thymidine	50-89-5	5585	HMDB0000273	C00214	5789	Neg
thymine	882	604	126810	Nucleotide	Pyrimidine Metabolism, Thymine containing	4296	NAMED	RWQNBRDOKXIBIV-UHFFFAOYSA-N	O=C1C(C)=CNC(N1)=O	thymine	65-71-4	1103	HMDB0000262	C00178	1135	Neg
caprate (10:0)	888	1642	125736	Lipid	Medium Chain Fatty Acid	1511	NAMED	GHVNFZFCNZKVNT-UHFFFAOYSA-N	CCCCCCCCCC(O)=O	caprate (10:0)	334-48-5	2863	HMDB0000511	C01571	2969	Neg
undecanoate (11:0)	889	12067	125750	Lipid	Medium Chain Fatty Acid	1516	NAMED	ZDPHROOEEOARMN-UHFFFAOYSA-N	O=C(O)CCCCCCCCCC	undecanoate (11:0)	334-48-5	7888	HMDB0000947	C17715	8180	Neg
margarate (17:0)	891	1121	125718	Lipid	Long Chain Saturated Fatty Acid	1529	NAMED	KEMQGTRYUADPNZ-UHFFFAOYSA-N	O=C(O)CCCCCCCCCCCCCCCC	margarate (17:0)	506-12-7	10033	HMDB0002259		10465	Neg
nonadecanoate (19:0)	892	1356	125722	Lipid	Long Chain Saturated Fatty Acid	1533	NAMED	ISYWECDDZWTKFF-UHFFFAOYSA-N	CCCCCCCCCCCCCCCCCCC(O)=O	nonadecanoate (19:0)	646-30-0	12071	HMDB0000772	C16535	12591	Neg
arachidate (20:0)	893	1118	125716	Lipid	Long Chain Saturated Fatty Acid	1534	NAMED	VKOBVWXKNCXXDE-UHFFFAOYSA-N	CCCCCCCCCCCCCCCCCCCC(O)=O	arachidate (20:0)	506-30-9	10035	HMDB0002212	C06425	10467	Neg
heptanoate (7:0)	925	1644	125738	Lipid	Medium Chain Fatty Acid	1507	NAMED	MNWFXJYAOYHMED-UHFFFAOYSA-N	CCCCCCC(O)=O	heptanoate (7:0)	111-14-8	7803	HMDB0000666	C17714	8094	Neg
caproate (6:0)	926	32489	125850	Lipid	Medium Chain Fatty Acid	1506	NAMED	FUZZWVXGSFPDMH-UHFFFAOYSA-N	CCCCCC(O)=O	caproate (6:0)	142-62-1	8552	HMDB0000535	C01585	8892	Neg
caprylate (8:0)	932	32492	125852	Lipid	Medium Chain Fatty Acid	1508	NAMED	WWZKQHOCKIZLMA-UHFFFAOYSA-N	CCCCCCCC(O)=O	caprylate (8:0)	124-07-2	370	HMDB0000482	C06423	379	Neg
pentadecanoate (15:0)	980	1361	125726	Lipid	Long Chain Saturated Fatty Acid	1526	NAMED	WQEPLUUGTLDZJY-UHFFFAOYSA-N	O=C(O)CCCCCCCCCCCCCC	pentadecanoate (15:0)	10002-84-2,1002-84-2	13249	HMDB0000826	C16537	13849	Neg
5-oxoproline	1021	1494	123209	Amino Acid	Glutathione Metabolism	587	NAMED	ODHCTXKNWHHXJC-VKHMYHEASA-N	O=C1CC[C@@H]([C@@](O)=O)N1	5-oxoproline	98-79-3	7127	HMDB0000267	C02237,C01879	439685,7405	Neg
N-acetylleucine	1082	1587	126818	Amino Acid	Leucine, Isoleucine and Valine Metabolism	341	NAMED	WXNXCEHXYPACJF-ZETCQYMHSA-N	O=C(O)[C@H](CC(C)C)NC(C)=O	N-acetylleucine	1188-21-2	64075	HMDB0011756	C02710	70912	Neg
N-acetylmethionine	1083	1589	124587	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	441	NAMED	XUYPXLNMDZIRQH-LURJTMIESA-N	O=C(O)[C@H](CCSC)NC(C)=O	N-acetylmethionine	65-82-7	395338	HMDB0011745	C02712	448580	Neg
N-acetylvaline	1084	1591	124807	Amino Acid	Leucine, Isoleucine and Valine Metabolism	422	NAMED	IHYJTAOFMMMOPX-LURJTMIESA-N	O=C(O)[C@@H](NC(C)=O)C(C)C	N-acetylvaline	96-81-1	60154	HMDB0011757		66789	Neg
erucate (22:1n9)	1087	1552	125983	Lipid	Long Chain Monounsaturated Fatty Acid	1564	NAMED	DPUOLQHDNGRHBS-KTKRTIGZSA-N	OC(CCCCCCCCCCCC=C/CCCCCCCC)=O	erucate (22:1n9)	112-86-7	7924	HMDB0002068	C08316	8216,5281116	Neg
guanosine	1099	1573	124583	Nucleotide	Purine Metabolism, Guanine containing	4201	NAMED	NYHBQMYGNKIUIF-UUOKFMHZSA-N	O=C1C(N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3)=C2N=C(N)N1	guanosine	118-00-3	6544	HMDB0000133	C00387	6802	Neg
chenodeoxycholate	1123	1563	125732	Lipid	Primary Bile Acid Metabolism	3475	NAMED	RUDATBOHQWOJDD-LXEZOOAESA-N	C[C@]12CC[C@]3([H])[C@@]4(C)CC[C@@H](O)C[C@@]4([H])C[C@@H](O)[C@@]3([H])[C@]1([H])CC[C@@]2(C(CCC(O)=O)C)[H]	chenodeoxycholate	474-25-9,474-24-9		HMDB0000518	C02528	10133	Neg
urate	1134	1604	124593	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	4150	NAMED	LEHOTFFKMJEONL-UHFFFAOYSA-N	O=C1NC(NC(NC2=O)=O)=C2N1	urate	120K5305,69-93-2		HMDB0000289	C00366	1175	Neg
ursodeoxycholate	1135	1605	125991	Lipid	Secondary Bile Acid Metabolism	3523	NAMED	RUDATBOHQWOJDD-UZVSRGJWSA-N	O[C@@H]1[C@@]2([H])[C@]3([H])CC[C@@]([C@@H](CCC(O)=O)C)([H])[C@@]3(C)CC[C@]2([H])[C@@]4(C)CC[C@@H](O)C[C@@]4([H])C1	ursodeoxycholate	128-13-2	29131	HMDB0000946	C07880	31401	Neg
valerate (5:0)	1136	33443	126081	Lipid	Short Chain Fatty Acid	1505	NAMED	NQPDZGIKBAWPEJ-UHFFFAOYSA-N	OC(CCCC)=O	valerate (5:0)	109-52-4	7701	HMDB0000892	C00803	7991	Neg
4-hydroxyphenylpyruvate	1141	1669	124595	Amino Acid	Tyrosine Metabolism	180	NAMED	KKADPXVIOXHVKN-UHFFFAOYSA-N	OC1=CC=C(CC(C(O)=O)=O)C=C1	4-hydroxyphenylpyruvate	156-39-8	954	HMDB0000707	C01179	979	Neg
butyrate/isobutyrate (4:0)	1143	40605	223227	Lipid	Short Chain Fatty Acid	1504	NAMED	FERIUCNNQQJTOY-UHFFFAOYSA-N	OC(CCC)=O	butyrate/isobutyrate (4:0)	109-92-6	259	HMDB0000039	C00246	264	Neg
dihomo-linoleate (20:2n6)	1231	17805	126039	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	1587	NAMED	XSXIVVZCUAHUJO-HZJYTTRNSA-N	O=C(O)CCCCCCCCC/C=CC/C=CCCCCC	dihomolinoleate (20:2n6)	2091-39-6	4944228	HMDB0005060	C16525	6439848	Neg
2-hydroxystearate	1239	17945	126830	Lipid	Fatty Acid, Monohydroxy	1988	NAMED	KIHBGTRZFAVZRV-QGZVFWFLSA-N	OC([C@H](O)CCCCCCCCCCCCCCCC)=O	2-hydroxystearate	629-22-1	62625	HMDB0062549	C03042,C03045	439887,439885,69417	Neg
thymidine 5'-monophosphate	1248	12023	124621	Nucleotide	Pyrimidine Metabolism, Thymine containing	4289	NAMED	GYOZYWVXFNDGLU-XLPZGREQSA-N	CC1=CN([C@@]2([H])[C@@]([H])([H])[C@@](O)([H])[C@](COP(O)(O)=O)([H])O2)C(NC1=O)=O	TMP	33430-62-5	10239189	HMDB0001227	C00364	9700	Neg
glycerol	1254	15122	126021	Lipid	Glycerolipid Metabolism	2859	NAMED	PEDCQBHIVMGVHV-UHFFFAOYSA-N	OC(CO)CO	glycerol	56-81-5	733	HMDB0000131	C00116	753	Neg
gamma-glutamylleucine	1268	18369	123285	Peptide	Gamma-glutamyl Amino Acid	654	NAMED	MYFMARDICOWMQP-YUMQZZPRSA-N	CC(C)C[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)N)=O	gamma-glutamylleucine	2566-39-4	133115	HMDB0011171		151023	Neg
p-hydroxybenzaldehyde	1276	17665	124879	Xenobiotics	Benzoate Metabolism	4531	NAMED	RGHHSNMVTDWUBI-UHFFFAOYSA-N	OC1=CC=C(C([H])=O)C=C1	p-hydroxybenzaldehyde	123-08-0	123	HMDB0011718	C00633	126	Neg
N-acetylsphingosine	1302	17772	126828	Lipid	Sphingosines	3181	NAMED	BLTCBVOJNNKFKC-QUDYQQOWSA-N	OC[C@@H]([C@H](O)/C=C/CCCCCCCCCCCCC)NC(C)=O	N-acetylsphingosine	3102-57-6	4593710	HMDB04950	C00195	5497136	Neg
nicotinamide adenine dinucleotide (NAD+)	1310	5278	126003	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	4327	NAMED	BAWFJGJZGIEFAR-JTDWVUTFSA-N	NC1=NC=NC2=C1N=CN2[C@@H]3[C@@H](O)[C@@H](O)[C@H](COP(OP(OC[C@@H]4[C@@H](O)[C@@H](O)[C@H]([N+]5=CC(C(N)=O)=CC=C5)O4)([O-])=O)(O)=O)O3	NAD+	53-84-9	5681		C00003	5892	Neg
4-acetamidophenol	1383	12032	126015	Xenobiotics	Drug - Analgesics, Anesthetics	5396	NAMED	RZVAJINKPMORJF-UHFFFAOYSA-N	OC1=CC=C(NC(C)=O)C=C1	4-acetamidophenol	103-90-2	1906	HMDB0001859	C06804	1983	Neg
N-linoleoylglycine	1506	32462	143855	Lipid	Fatty Acid Metabolism (Acyl Glycine)	1844	NAMED	YCRHZEHWEYAHCO-HZJYTTRNSA-N	O=C(O)CNC(CCCCCCC/C=CC/C=CCCCCC)=O	N-linoleoylglycine	2764-03-6	4938516			6433346	Neg
dehydrocholic acid	1609	17809	151423	Lipid	Secondary Bile Acid Metabolism	3550	NAMED	OHXPGWPVLFPUSM-MKVHEJHUSA-N	C[C@@]1([C@](CC[C@@]1(C(CCC(O)=O)C)[H])([H])[C@]2([H])C(C[C@]3([H])CC(CC[C@]3(C)[C@@]2([H])C4)=O)=O)C4=O	dehydrocholic acid	81-23-2	6422	HMDB0035844	C13154,D01693	6674	Neg
glycochenodeoxycholate	1628	32346	124921	Lipid	Primary Bile Acid Metabolism	3480	NAMED	GHCZAUBVMUEKKP-AZDOMVTHSA-N	O=C(NCC(O)=O)CC[C@@H](C)[C@@H]1[C@](CC[C@H]2[C@@]3([H])[C@H](O)C[C@@]4([H])C2(C)CC[C@@H](O)C4)(C)[C@]3([H])CC1	glycochenodeoxycholate	16564-43-5		HMDB0000637	C05466	12544	Neg
taurochenodeoxycholate	1629	18494	124667	Lipid	Primary Bile Acid Metabolism	3481	NAMED	BHTRKEVKTKCXOH-BJLOMENOSA-N	C[C@@]12[C@@]([H])(CC[C@@]2([C@@H](CCC(NCCS(O)(=O)=O)=O)C)[H])[C@@]([C@@H](C[C@]3([H])C[C@H](O)CC4)O)([H])[C@]([C@]34C)([H])CC1	taurochenodeoxycholate	6009-98-9	343282	HMDB0000951	C05465	387316	Neg
taurocholate	1648	18497	125762	Lipid	Primary Bile Acid Metabolism	3474	NAMED	WBWWGRHZICKQGZ-HGVCTONRSA-N	C[C@@]12[C@@]([H])(CC[C@]2([H])[C@@H](CCC(NCCS(O)(=O)=O)=O)C)[C@@]([C@H](O)C[C@@]3([H])[C@@]4(CC[C@@H](O)C3)C)([H])[C@@]4([H])C[C@@H]1O	taurocholate	145-42-6		HMDB0000036	C05122	6675,46783527	Neg
taurodeoxycholate	1668	12261	124839	Lipid	Secondary Bile Acid Metabolism	3508	NAMED	AWDRATDZQPNJFN-RZGBOAIJSA-N	C[C@@]12[C@@]([H])(CC[C@]2([H])[C@@H](CCC(NCCS(O)(=O)=O)=O)C)[C@@](CC[C@@]3([H])[C@@]4(CC[C@@H](O)C3)C)([H])[C@@]4([H])C[C@@H]1O	taurodeoxycholate	207737-97-1	2015539	HMDB0000896	C05463	2733768	Neg
azelate (C9-DC)	2029	18362	124661	Lipid	Fatty Acid, Dicarboxylate	1696	NAMED	BDJRBEYXGGNYIS-UHFFFAOYSA-N	O=C(O)CCCCCCCC(O)=O	azelate (C9-DC)	123-99-9	2179	HMDB0000784	C08261	2266	Neg
3-(N-acetyl-cystein-S-yl) acetaminophen	2048	45721	145263	Xenobiotics	Drug - Analgesics, Anesthetics	5398	NAMED	DVPRQNKJGQEICH-JTQLQIEISA-N	O=C(C)NC1=CC(SC[C@@H](C(O)=O)NC(C)=O)=C(O)C=C1	3-(N-acetyl-cystein-S-yl) acetaminophen	52372-86-8	75765			83967	Neg
4-acetaminophen sulfate	2049	37475	127693	Xenobiotics	Drug - Analgesics, Anesthetics	5399	NAMED	IGTYILLPRJOVFY-UHFFFAOYSA-N	CC(NC1=CC=C(OS(=O)(O)=O)C=C1)=O	4-acetaminophen sulfate	32113-41-0,10066-90-7	75741	HMDB0059911	C06804	83939	Neg
eicosapentaenoate (EPA; 20:5n3)	2050	18467	126840	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	1577	NAMED	JAZBEHYOTPTENJ-JLNKQSITSA-N	O=C(O)CCCC=C/C/C=CC/C=CC/C=CC/C=CCC	eicosapentaenoate (EPA; 20:5n3)	10-2005-9,10417-94-4	393682	HMDB0001999	C06428	446284	Neg
catechin	2068	17668	124881	Xenobiotics	Food Component/Plant	4717	NAMED	PFTAWBLQPZVEMU-DZGCQCFKSA-N	OC1=C[C@@]([C@@H](O2)[C@@H](O)CC3=C2C=C(O)C=C3O)=CC=C1O	catechin	225937-10-0,18829-70-4	8711	HMDB0002780	D00200,C06562	9064	Neg
epicatechin	2070	17774	145095	Xenobiotics	Food Component/Plant	4719	NAMED	PFTAWBLQPZVEMU-UKRRQHHQSA-N	O[C@H]1[C@@H]([C@@]2=CC=C(O)C(O)=C2)OC(C=C(O)C=C3O)=C3C1	epicatechin	490-46-0	8711	HMDB0001871	C09727,C09728	72276	Neg
benzoate	100000008	15778	124867	Xenobiotics	Benzoate Metabolism	4497	NAMED	WPYMKLBDIGXBTP-UHFFFAOYSA-N	OC(C1=CC=CC=C1)=O	benzoate	65-85-0	238	HMDB0001870	C00180	243	Neg
3-phenylpropionate (hydrocinnamate)	100000010	15749	126035	Xenobiotics	Benzoate Metabolism	4595	NAMED	XMIIGOLPHOKFCH-UHFFFAOYSA-N	OC(CCC1=CC=CC=C1)=O	3-phenylpropionate (hydrocinnamate)	501-52-0	10181339	HMDB0000764	C05629	107	Neg
phenylacetate	100000011	57745	213340	Amino Acid	Phenylalanine Metabolism	160	NAMED	WLJVXDMOQOGPHL-UHFFFAOYSA-N	O=C(O)CC1=CC=CC=C1	phenylacetate	103-82-2	10181341	HMDB0000209	C07086	999	Neg
hippurate	100000014	15753	124647	Xenobiotics	Benzoate Metabolism	4482	NAMED	QIAFMBKCNZACKA-UHFFFAOYSA-N	O=C(C1=CC=CC=C1)NCC(O)=O	hippurate	495-69-2	451	HMDB0000714	C01586	464	Neg
xanthurenate	100000015	15679	123267	Amino Acid	Tryptophan Metabolism	283	NAMED	FBZONXHGGPHHIY-UHFFFAOYSA-N	OC1=C2C(C(O)=CC(C(O)=O)=N2)=CC=C1	xanthurenate	59-007	5497	HMDB0000881	C02470	5699	Neg
3-methyl-2-oxovalerate	100000036	15676	123263	Amino Acid	Leucine, Isoleucine and Valine Metabolism	399	NAMED	JVQYSWDUAOAHFM-UHFFFAOYSA-N	CCC(C)C(C(O)=O)=O	3-methyl-2-oxovalerate	51829-07-3,1460-34-0	46	HMDB0000491	C03465,C06008,C00671	439286,440877	Neg
3-methylhistidine	100000042	15677	123265	Amino Acid	Histidine Metabolism	74	NAMED	JDHILDINMRGULE-LURJTMIESA-N	N[C@H](C(O)=O)CC1=CN=CN1C	3-methylhistidine	368-16-1	58494	HMDB0000479	C01152	64969	Neg
2'-deoxyinosine	100000135	15076	124625	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	4146	NAMED	VGONTNSXDCQUGY-RRKCRQDMSA-N	OC[C@@H]1[C@H](C[C@H](N2C=NC3=C2N=CN=C3O)O1)O	2'-deoxyinosine	890-38-0	58569	HMDB0000071	C05512	135398593	Neg
flavin mononucleotide (FMN)	100000251	15797	127541	Cofactors and Vitamins	Riboflavin Metabolism	4353	NAMED	FVTCRASFADXXNN-UHFFFAOYSA-N	CC1=C(C)C=C(N(CC(O)C(C(COP(O)(O)=O)O)O)C(C2=N3)=NC(NC2=O)=O)C3=C1	FMN	130-40-5	690	HMDB0001520	C00061	643976	Neg
indole	100000264	33965	151525	Amino Acid	Tryptophan Metabolism	316	NAMED	SIKJAQJRHWYJAI-UHFFFAOYSA-N	C12=C(NC=C2)C=CC=C1	indole	120-72-9	776	HMDB0000738	C00463	798	Neg
N-acetylmuramate	100000283	18354	126047	Carbohydrate	Aminosugar Metabolism	1439	NAMED	SOARVSUSWULNDI-TVVSKHENSA-N	C[C@H](C(O)=O)O[C@H]([C@@H](NC(C)=O)C=O)[C@@H]([C@@H](CO)O)O	N-acetylmuramate	10597-89-4	74681	HMDB0060493	C02713	5462244	Neg
tartarate	100000295	15336	123251	Xenobiotics	Food Component/Plant	5095	NAMED	FEWJPZIEWOKRBE-JCYAYHJZSA-N	OC([C@H](O)[C@@H](O)C(O)=O)=O	tartarate	87-69-4,6106-24-7	852	HMDB0000956,HMDB0062642	C00552,C02107,C00898	444305,875	Neg
xanthosine	100000299	15136	124851	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	4142	NAMED	UBORTCNDUKBEOP-UUOKFMHZSA-N	OC1=C(N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3)C2=NC(O)=N1	xanthosine	146-80-5	58484	HMDB0000299	C01762	64959	Neg
glycodeoxycholate	100000436	18477	123291	Lipid	Secondary Bile Acid Metabolism	3506	NAMED	WVULKSPCQVQLCU-BUXLTGKBSA-N	O=C(NCC(O)=O)CC[C@@H](C)[C@@H]1[C@@]2(C)[C@@H](O)C[C@]3([H])[C@@]4(C)CC[C@@H](O)C[C@@]4([H])CC[C@@]3([H])[C@@]2(CC1)[H]	glycodeoxycholate	360-65-6		HMDB00631	C05464	3035026	Neg
3,4-dihydroxybenzoate	100000440	18292	145101	Xenobiotics	Benzoate Metabolism	4512	NAMED	YQUVCSBJEUQKSH-UHFFFAOYSA-N	O=C(C1=CC=C(C(O)=C1)O)O	3,4-dihydroxybenzoate	99-50-3	71	HMDB0001856	C00230	72	Neg
3,4-dihydroxyphenylacetate	100000449	18296	126041	Amino Acid	Tyrosine Metabolism	212	NAMED	CFFZDZCDUFSOFZ-UHFFFAOYSA-N	OC(CC1=CC=C(O)C(O)=C1)=O	3,4-dihydroxyphenylacetate	102-32-9	532	HMDB0001336	C01161	98153	Neg
paraxanthine	100000453	18254	124653	Xenobiotics	Xanthine Metabolism	4612	NAMED	QUNWUDVFRNGTCO-UHFFFAOYSA-N	O=C(N2C)NC1=C(N(C)C=N1)C2=O	paraxanthine	611-59-6	4525	HMDB0001860	C13747	4687	Neg
indolelactate	100000463	18349	124659	Amino Acid	Tryptophan Metabolism	303	NAMED	XGILAAMKEQUXLS-UHFFFAOYSA-N	OC(C(O)=O)CC1=CNC2=C1C=CC=C2	indolelactate	832-97-3	83867	HMDB0000671	C02043	92904	Neg
3-indoxyl sulfate	100000467	27672	123315	Amino Acid	Tryptophan Metabolism	327	NAMED	BXFFHSIDQOFMLE-UHFFFAOYSA-N	O=S(OC2=CNC1=CC=CC=C12)(O)=O	3-indoxyl sulfate	2642-37-7	9840	HMDB0000682		10258	Neg
gamma-glutamylphenylalanine	100000491	33422	126077	Peptide	Gamma-glutamyl Amino Acid	658	NAMED	XHHOHZPNYFQJKL-QWRGUYRKSA-N	O=C(O)[C@H](CC1=CC=CC=C1)NC(CC[C@@H](C(O)=O)N)=O	gamma-glutamylphenylalanine	7432-24-8	99868	HMDB0000594		111299	Neg
4-methyl-2-oxopentanoate	100000551	22116	124905	Amino Acid	Leucine, Isoleucine and Valine Metabolism	348	NAMED	BKAJNAXTPSGJCU-UHFFFAOYSA-N	CC(C)CC(C(O)=O)=O	4-methyl-2-oxopentanoate	816-66-0	69	HMDB0000695	C00233	70	Neg
1-stearoyl-GPI (18:0)	100000656	19324	128173	Lipid	Lysophospholipid	2738	NAMED	MXAFDFDAIFZFET-CLBYPKMISA-N	[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCCCCCCCCCCCCCCCC)=O)O)=O)([C@]1(O)[H])[H])O	1-stearoyl-GPI (18:0)	796963-93-4	21403067	HMDB0240261		71581135,42607495	Neg
docosahexaenoate (DHA; 22:6n3)	100000665	44675	126139	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	1580	NAMED	MBMBGCFOFBJSGT-KUBAVDMBSA-N	CCC=C/CC=C/CC=C/C/C=CC/C=CC/C=CCCC(O)=O	docosahexaenoate (DHA; 22:6n3)	6217-54-5	393183	HMDB0002183	C06429	445580	Neg
alpha-hydroxyisocaproate	100000706	22132	124683	Amino Acid	Leucine, Isoleucine and Valine Metabolism	352	NAMED	LVRFTAZAXQPQHI-UHFFFAOYSA-N	OC(C(CC(C)C)O)=O	alpha-hydroxyisocaproate	10303-64-7	75520	HMDB0000665,HMDB00746,HMDB0000624	C03264	83697,92779,439960	Neg
isovalerate (i5:0)	100000708	44656	126996	Amino Acid	Leucine, Isoleucine and Valine Metabolism	356	NAMED	GWYFCOCPABKNJV-UHFFFAOYSA-N	CC(C)CC(O)=O	isovalerate (C5)	503-74-2	10001	HMDB0000718	C08262	10430	Neg
4-acetylphenol sulfate	100000711	44620	126992	Xenobiotics	Benzoate Metabolism	4538	NAMED	HOFGLAYWQRGTKC-UHFFFAOYSA-N	O=S(OC1=CC=C(C(C)=O)C=C1)(O)=O	4-acetylphenyl sulfate		3872009			4684006	Neg
phenyllactate (PLA)	100000774	22130	124681	Amino Acid	Phenylalanine Metabolism	156	NAMED	VOXXWSYKYCBWHO-UHFFFAOYSA-N	OC(C(O)=O)CC1=CC=CC=C1	phenyllactate (PLA)	828-01-3	3715	HMDB0000779,HMDB0000563	C05607	3848	Neg
dehydroepiandrosterone sulfate (DHEA-S)	100000792	32425	124935	Lipid	Androgenic Steroids	3356	NAMED	CZWCKYRVOZZJNM-DYIPZHMLSA-N	[H][C@@]1(CC[C@]2(C)[C@]3(CCC2=O)[H])[C@@]4(C)C(C[C@H](OS(=O)(O)=O)CC4)=CC[C@]13[H]	dehydroepiandrosterone sulfate (DHEA-S)	651-48-9	12074	HMDB0001032	C04555	12594	Neg
indoleacrylate	100000800	22114	126063	Amino Acid	Tryptophan Metabolism	309	NAMED	PLVPPLCLBIEYEA-AATRIKPKSA-N	O=C(O)/C=C/C1=CNC2=C1C=CC=C2	indoleacrylate	1204-06-4	4524636	HMDB0000734		5375048	Neg
isocaproate (i6:0)	100000806	22273	127567	Lipid	Fatty Acid, Branched	1643	NAMED	FGKJLKRYENPLQH-UHFFFAOYSA-N	CC(C)CCC(O)=O	isocaproate (i6:0)	646-07-1	12067	HMDB00689		12587	Neg
1-palmitoylglycerol (16:0)	100000827	21127	126053	Lipid	Monoacylglycerol	2869	NAMED	QHZLMUACJMDIAE-UHFFFAOYSA-N	O=C(CCCCCCCCCCCCCCC)OCC(O)CO	1-palmitoylglycerol (16:0)	542-44-9	14201	HMDB0011564		14900	Neg
hesperidin (hesperetin 7-rutinoside)	100000838	21300	144862	Xenobiotics	Food Component/Plant	5114	NAMED	QUQPHWDTPGMPEX-TXMCEDIYSA-N	O=C1C(C(O)=CC(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)C(CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)C(C)O3)O2)=C4)=C4OC(C5=CC(O)=C(OC)C=C5)C1	hesperidin	520-26-3	10176	HMDB0003265	G00283,D01038	10621	Neg
oxalate (ethanedioate)	100000841	20694	143843	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	4376	NAMED	MUBZPKHOEPUJKR-UHFFFAOYSA-N	O=C(O)C(O)=O	oxalate (ethanedioate)	144-62-7	946	HMDB0002329	C00209	971	Neg
3-hydroxycinnamate	100000842	20698	124891	Xenobiotics	Food Component/Plant	4857	NAMED	KKSDGJDHHZEWEP-SNAWJCMRSA-N	OC1=CC(/C=C/C(O)=O)=CC=C1	3-hydroxycinnamate	14755-02-3,588-30-7	553147	HMDB0001713	C12621	637541	Neg
sinapate	100000869	21150	126856	Xenobiotics	Food Component/Plant	5074	NAMED	PCMORTLOPMLEFB-ONEGZZNKSA-N	OC1=C(OC)C=C(/C=C/C(O)=O)C=C1OC	sinapate	530-59-6	553361	HMDB0032616	C00482	637775	Neg
saccharin	100000870	21151	124899	Xenobiotics	Food Component/Plant	5063	NAMED	CVHZOJJKTDOEJC-UHFFFAOYSA-N	O=S(C1=CC=CC=C1C2=O)(N2)=O	saccharin	81-07-2	4959	HMDB0029723	C12283	5143	Neg
3-hydroxymyristate	100000882	21158	152464	Lipid	Fatty Acid, Monohydroxy	2003	NAMED	ATRNZOYKSNPPBF-UHFFFAOYSA-N	CCCCCCCCCCCC(O)CC(O)=O	3-hydroxymyristate	3422-31-9	15252	HMDB0061656		16064	Neg
caffeate	100000914	21177	124901	Xenobiotics	Food Component/Plant	4852	NAMED	QAIPRVGONGVQAS-DUXPYHPUSA-N	O=C(O)/C=C/C1=CC=C(O)C(O)=C1	caffeate	331-39-5	600426	HMDB0001964	C01197	689043	Neg
naringenin	100000920	44663	128313	Xenobiotics	Food Component/Plant	5000	NAMED	FTVWIRXFELQLPI-UHFFFAOYSA-N	O=C1C(C(O)=CC(O)=C2)=C2OC(C3=CC=C(O)C=C3)C1	naringenin	67604-48-2	907	HMDB0002670	C00509	932	Neg
1-oleoylglycerol (18:1)	100000924	21184	126057	Lipid	Monoacylglycerol	2873	NAMED	RZRNAYUHWVFMIP-KTKRTIGZSA-N	O=C(OCC(O)CO)CCCCCCC/C=CCCCCCCCC	1-oleoylglycerol (18:1)	111-03-5	4446588	HMDB0011567		5283468	Neg
2-oleoylglycerol (18:1)	100000943	21232	126858	Lipid	Monoacylglycerol	2889	NAMED	UPWGQKDVAURUGE-KTKRTIGZSA-N	O=C(OC(CO)CO)CCCCCCC/C=CCCCCCCCC	2-oleoylglycerol (18:1)	3443-84-3	4478086	HMDB0011537		5319879	Neg
8-hydroxyoctanoate	100000956	21239	128183	Lipid	Fatty Acid, Monohydroxy	2018	NAMED	KDMSVYIHKLZKET-UHFFFAOYSA-N	OCCCCCCCC(O)=O	8-hydroxyoctanoate	764-89-6	63018	HMDB0061914		69820	Neg
3-hydroxydecanoate	100000997	22053	123301	Lipid	Fatty Acid, Monohydroxy	1999	NAMED	FYSSBMZUBSBFJL-UHFFFAOYSA-N	OC(CC(O)=O)CCCCCCC	3-hydroxydecanoate	5561-87-5	24790	HMDB0002203		26612	Neg
p-cresol	100001018	33444	150999	Xenobiotics	Benzoate Metabolism	4572	NAMED	IWDCLRJOBJJRNH-UHFFFAOYSA-N	OC1=CC=C(C)C=C1	p-cresol	106-44-5	13839082	HMDB0001858	C01468	2879	Neg
indoleacetate	100001034	27513	126866	Amino Acid	Tryptophan Metabolism	304	NAMED	SEOVTRFCIGRIMH-UHFFFAOYSA-N	OC(CC1=CNC2=C1C=CC=C2)=O	indoleacetate	6505-45-9	780	HMDB0000197	C00954	802	Neg
20-hydroxyecdysone	100001037	27446	145103	Xenobiotics	Food Component/Plant	4799	NAMED	NKDFYOWSKOHCCO-WDHDNHLZSA-N	O[C@]([C@@]1(CC2)C)(CC[C@]1([H])[C@]([C@H](O)CCC(C)(O)C)(O)C)C([C@]2([H])[C@@]3([C@@]4([H])C[C@@H](O)[C@@H](O)C3)C)=CC4=O	20-hydroxyecdysone	5289-74-7	4573597	HMDB0030180	C02633	5459840	Neg
hesperetin	100001039	27514	128193	Xenobiotics	Food Component/Plant	4951	NAMED	AIONOLUJZLIMTK-AWEZNQCLSA-N	O=C1C(C(O)=CC(O)=C2)=C2O[C@H]([C@]3=CC(O)=C(OC)C=C3)C1	hesperetin	41001-90-5	65234	HMDB0005782	C01709	72281	Neg
1-linoleoylglycerol (18:2)	100001040	27447	126071	Lipid	Monoacylglycerol	2874	NAMED	WECGLUPZRHILCT-HZJYTTRNSA-N	CCCCC/C=CC/C=CCCCCCCCC(OCC(O)CO)=O	1-linoleoylglycerol (18:2)	2277-28-3	4446589	HMDB0011568		5283469	Neg
3-dehydrocholate	100001062	43835	125880	Lipid	Secondary Bile Acid Metabolism	3551	NAMED	OEKUSRBIIZNLHZ-YXRVOZSUSA-N	C[C@H](CCC(O)=O)[C@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CC(CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)=O	3-dehydrocholate	2304-89-4	140376	HMDB00502		159655	Neg
7-ketodeoxycholate	100001063	31904	125786	Lipid	Secondary Bile Acid Metabolism	3556	NAMED	RHCPKKNRWFXMAT-RRWYKFPJSA-N	[H][C@]1([C@]2(C)[C@](CC1)([H])[C@]3([H])C(C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@@H]2O)=O)[C@H](C)CCC(O)=O	7-ketodeoxycholate	911-40-0	163659	HMDB0000391		188292	Neg
taurolithocholate	100001065	31889	125784	Lipid	Secondary Bile Acid Metabolism	3520	NAMED	QBYUNVOYXHFVKC-OQHFDXPESA-N	C[C@]1(CC2)[C@](CC[C@@H]1[C@H](C)CCC(NCCS(O)(=O)=O)=O)([H])[C@@](CC3)([H])[C@]2([H])[C@](CC4)(C)[C@]3([H])C[C@@H]4O	taurolithocholate	516-90-5	10150	HMDB0000722	C02592	439763	Neg
dehydrolithocholate	100001067	31891	151467	Lipid	Secondary Bile Acid Metabolism	3539	NAMED	KIQFUORWRVZTHT-MRBXEDHFSA-N	C[C@H](CCC(O)=O)[C@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O	dehydrolithocholate	1553-56-6	140347	HMDB00502		5283906	Neg
6-oxolithocholate	100001068	46336	144864	Lipid	Secondary Bile Acid Metabolism	3542	NAMED	JWZBXKZZDYMDCJ-IJPFKRJSSA-N	C[C@H](CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC([C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O	6-oxolithocholate	2393-61-5	144621			164960	Neg
7-ketolithocholate	100001069	43830	125878	Lipid	Secondary Bile Acid Metabolism	3543	NAMED	DXOCDBGWDZAYRQ-MAODZAEWSA-N	CC1(CC2)C(CCC1C(C)CCC(O)=O)C(C(C3)=O)C2C(CC4)(C)[C@]3([H])C[C@@H]4O	7-ketolithocholate	4651-67-6	392247	HMDB0000467		444262	Neg
7,12-diketolithocholate	100001070	31906	151469	Lipid	Secondary Bile Acid Metabolism	3540	NAMED	MAFJMPFLJJCSTB-GPXHYDOQSA-N	[H][C@@]([C@H](C)CCC(O)=O)([C@]12C)CC[C@]1([H])[C@]3([H])C(C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC2=O)=O	7,12-diketolithocholate	517-33-9	2338317			3080560	Neg
12-dehydrocholate	100001072	44644	126994	Lipid	Secondary Bile Acid Metabolism	3552	NAMED	MIHNUBCEFJLAGN-DMMBONCOSA-N	O=C1C[C@@]([C@](CC2)(C)[C@@]3([H])C[C@@H]2O)([H])[C@]([C@H](O)C3)([H])[C@]4([H])CC[C@@]([C@H](C)CCC(O)=O)([H])[C@]41C	12-dehydrocholate	2458-08-4,2458-08-4	85044	HMDB00400		6674	Neg
indolepropionate	100001083	32405	125818	Amino Acid	Tryptophan Metabolism	310	NAMED	GOLXRNDWAUTYKT-UHFFFAOYSA-N	OC(CCC1=CNC2=C1C=CC=C2)=O	indolepropionate	830-96-6	3613	HMDB0002302		3744	Neg
dodecanedioate (C12-DC)	100001102	32388	125800	Lipid	Fatty Acid, Dicarboxylate	1703	NAMED	TVIDDXQYHWJXFK-UHFFFAOYSA-N	OC(CCCCCCCCCCC(O)=O)=O	dodecanedioate (C12)	693-23-2	12213	HMDB0000623	C02678	12736	Neg
N-acetyltyrosine	100001104	32390	125802	Amino Acid	Tyrosine Metabolism	168	NAMED	CAHKINHBCWCHCF-JTQLQIEISA-N	OC1=CC=C(C[C@@H](C(O)=O)NC(C)=O)C=C1	N-acetyltyrosine	537-55-3	61606	HMDB0000866		68310	Neg
1,3-dimethylurate	100001106	32391	125804	Xenobiotics	Xanthine Metabolism	4617	NAMED	OTSBKHHWSQYEHK-UHFFFAOYSA-N	CN1C(N(C(N2)=C(C1=O)NC2=O)C)=O	1,3-dimethylurate	944-73-0	63527	HMDB0001857		70346	Neg
3-methylxanthine	100001108	32445	125834	Xenobiotics	Xanthine Metabolism	4622	NAMED	GMSNIKWWOQHZGF-UHFFFAOYSA-N	O=C1N(C)C2=C(N=CN2)C(N1)=O	3-methylxanthine	1076-22-8	63805	HMDB0001886	C16357	70639	Neg
3-hydroxylaurate	100001112	32457	151499	Lipid	Fatty Acid, Monohydroxy	2002	NAMED	MUCMKTPAZLSKTL-UHFFFAOYSA-N	OC(CC(CCCCCCCCC)O)=O	3-hydroxylaurate	53941-38-1	85026	HMDB0000387		94216	Neg
pyridoxate	100001121	31555	124697	Cofactors and Vitamins	Vitamin B6 Metabolism	4471	NAMED	HXACOUQIXZGNBF-UHFFFAOYSA-N	OC1=C(C(O)=O)C(CO)=CN=C1C	pyridoxate	82-82-6	6467	HMDB0000017	C00847	6723	Neg
threonylphenylalanine	100001125	31530	125772	Peptide	Dipeptide	1001	NAMED	IQHUITKNHOKGFC-CSUXEGHOSA-N	N[C@@H](C(C)O)C(N[C@@H](CC1=CC=CC=C1)C(O)=O)=O	threonylphenylalanine	16875-27-7	3313819	HMDB0029068		7010580	Neg
pyroglutamylvaline	100001132	32394	125806	Peptide	Modified Peptides	1234	NAMED	DTSWLLBBGHRXQH-XPUUQOCRSA-N	O=C1CC[C@@H](C(N[C@@H](C(C)C)C(O)=O)=O)N1	pyroglutamylvaline	21282-10-0	134331			152416	Neg
5-hydroxyhexanoate	100001148	31938	125792	Lipid	Fatty Acid, Monohydroxy	2012	NAMED	YDCRNMJQROAWFT-UHFFFAOYSA-N	CC(O)CCCC(O)=O	5-hydroxyhexanoate	44843-89-2	149280	HMDB0000409,HMDB0000525		170748	Neg
butyrylglycine	100001151	31850	125782	Lipid	Fatty Acid Metabolism (also BCAA Metabolism)	1786	NAMED	WPSSBBPLVMTKRN-UHFFFAOYSA-N	O=C(CNC(CCC)=O)O	butyrylglycine (C4)	20208-73-5	79766	HMDB0000808		88412	Neg
2-hydroxymyristate	100001180	32413	125822	Lipid	Fatty Acid, Monohydroxy	1984	NAMED	JYZJYKOZGGEXSX-UHFFFAOYSA-N	OC(C(O)=O)CCCCCCCCCCCC	2-hydroxymyristate	2507-55-3	1508	HMDB0002261	C13790	1563	Neg
docosapentaenoate (n3 DPA; 22:5n3)	100001181	32504	125862	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	1579	NAMED	YUFFSWGQGVEMMI-JLNKQSITSA-N	O=C(O)CCCCC/C=CC/C=CC/C=CC/C=CC/C=CCC	docosapentaenoate (DPA; 22:5n3)	2234-74-4		HMDB0006528,HMDB0001976	C16513	6441454	Neg
docosadienoate (22:2n6)	100001182	32415	125824	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	1594	NAMED	HVGRZDASOHMCSK-AVQMFFATSA-N	CCCCC/C=C/C/C=C/CCCCCCCCCCCC(O)=O	docosadienoate (22:2n6)	7370-49-2	4445934	HMDB0061714	C16533	5282807	Neg
adrenate (22:4n6)	100001193	32980	125866	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	1592	NAMED	TWSWSIQAPQLDBP-CGRWFSSPSA-N	O=C(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)O	adrenate (22:4n6)	2091-25-0	4445971	HMDB0002226	C16527	5282844,5497181	Neg
myristoleate (14:1n5)	100001198	32418	125828	Lipid	Long Chain Monounsaturated Fatty Acid	1543	NAMED	YWWVWXASSLXJHU-WAYWQWQTSA-N	O=C(CCCCCCC/C=CCCCC)O	myristoleate (14:1n5)	544-64-9	4444564	HMDB0002000	C08322	5281119	Neg
sebacate (C10-DC)	100001211	32398	125812	Lipid	Fatty Acid, Dicarboxylate	1698	NAMED	CXMXRPHRNRROMY-UHFFFAOYSA-N	OC(CCCCCCCCC(O)=O)=O	sebacate (C10-DC)	111-20-6	5004	HMDB0000792	C08277	5192	Neg
daidzein	100001219	32453	125842	Xenobiotics	Food Component/Plant	4892	NAMED	ZQSIJRDFPHDXIC-UHFFFAOYSA-N	OC1=CC2=C(C(C(C3=CC=C(O)C=C3)=CO2)=O)C=C1	daidzein	486-66-8	4445025	HMDB0003312	C10208	5281708	Neg
genistein	100001221	32448	125838	Xenobiotics	Food Component/Plant	4711	NAMED	TZBJGXHYKVUXJN-UHFFFAOYSA-N	O=C1C(C(O)=C2)=C(C=C2O)OC=C1C(C=C3)=CC=C3O	genistein	446-72-0	4444448	HMDB0003217	C06563	5280961	Neg
I-urobilinogen	100001226	32426	144353	Cofactors and Vitamins	Hemoglobin and Porphyrin Metabolism	4432	NAMED	OBHRVMZSZIDDEK-UHFFFAOYSA-N	CC1=C(CC(NC2=O)C(CC)=C2C)NC(CC3=C(CCC(O)=O)C(C)=C(CC(NC4=O)C(C)=C4CC)N3)=C1CCC(O)=O	I-urobilinogen	14684-37-8	24980	HMDB0004157	C05789	9548718	Neg
5-dodecenoate (12:1n7)	100001232	33968	126127	Lipid	Medium Chain Fatty Acid	1521	NAMED	IJBFSOLHRKELLR-FPLPWBNLSA-N	CCCCCCC=C/CCCC(O)=O	5-dodecenoate (12:1n7)	2430-94-6	4471803	HMDB0000529		5312378	Neg
skatol	100001233	33021	151519	Amino Acid	Tryptophan Metabolism	315	NAMED	ZFRKQXVRDFCRJG-UHFFFAOYSA-N	CC1=CNC2=C1C=CC=C2	skatol	83-34-1	6480	HMDB0000466	C08313	6736	Neg
N-acetyltryptophan	100001254	33959	126119	Amino Acid	Tryptophan Metabolism	260	NAMED	DZTHIGRZJZPRDV-LBPRGKRZSA-N	O=C(O)[C@@H](NC(C)=O)CC1=CNC2=C1C=CC=C2	N-acetyltryptophan	1218-34-4	610602	HMDB0013713	C03137	439917,700653	Neg
N-acetylphenylalanine	100001256	33950	126109	Amino Acid	Phenylalanine Metabolism	144	NAMED	CBQJSKKFNMDLON-JTQLQIEISA-N	O=C(O)[C@@H](NC(C)=O)CC1=CC=CC=C1	N-acetylphenylalanine	2018-61-3	67404	HMDB0000512	C03519	74839	Neg
phenylacetylglycine	100001275	33945	126103	Peptide	Acetylated Peptides	1206	NAMED	UTYVDVLMYQPLQB-UHFFFAOYSA-N	OC(CNC(CC1=CC=CC=C1)=O)=O	phenylacetylglycine	500-98-1	61452	HMDB0000821	C05598	68144	Neg
N-acetylisoleucine	100001276	33967	126125	Amino Acid	Leucine, Isoleucine and Valine Metabolism	392	NAMED	JDTWZSUNGHMMJM-MSZQBOFLSA-N	CC(N[C@H](C(O)=O)C(C)CC)=O	N-acetylisoleucine	3077-46-1	2081100	HMDB0061684		306109	Neg
10-nonadecenoate (19:1n9)	100001277	33972	126131	Lipid	Long Chain Monounsaturated Fatty Acid	1557	NAMED	BBOWBNGUEWHNQZ-KTKRTIGZSA-N	O=C(O)CCCCCCCC/C=CCCCCCCCC	10-nonadecenoate (19:1n9)	73033-09-7	4471938	HMDB0013622		5312513	Neg
hyocholate	100001279	34093	126896	Lipid	Secondary Bile Acid Metabolism	3544	NAMED	DKPMWHFRUGMUKF-OAEKOJLISA-N	C[C@]12CC[C@@H](O)C[C@@]1([H])[C@@H](O)[C@@H](O)C3C2CC[C@@]4(C)C3CCC4C(CCC(O)=O)C	hyocholate	547-75-1	21403098	HMDB0000760	C17649	92805	Neg
epiandrosterone sulfate	100001287	33973	126133	Lipid	Androgenic Steroids	3361	NAMED	ZMITXKRGXGRMKS-FMLJXKFRSA-N	O=C1CCC2C3CC[C@@]4([H])C[C@@H](OS(=O)(O)=O)CC[C@]4(C)C3CC[C@@]21C	epiandrosterone sulfate	22229-22-7	21403101	HMDB0062657	C04555	9929317	Neg
p-cresol sulfate	100001315	36103	143727	Xenobiotics	Benzoate Metabolism	4573	NAMED	WGNAKZGUSRVWRH-UHFFFAOYSA-N	O=S(OC1=CC=C(C)C=C1)(O)=O	p-cresol sulfate	3233-57-7	3806480	HMDB0011635		4615423	Neg
eicosenoate (20:1)	100001335	33587	143715	Lipid	Long Chain Monounsaturated Fatty Acid	1560	NAMED	BITHHVVYSMSWAG-KTKRTIGZSA-N	O=C(O)CCCCCCCCC/C=CCCCCCCCC	eicosenoate (20:1n9 or 1n11)		4445895	HMDB0002231,HMDB0062436	C16526	5282768,5282769,94159	Neg
linolenate [alpha or gamma; (18:3n3 or 6)]	100001337	34035	143703	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	1586	NAMED	DTOSIQBPPRVQHS-PDBXOOCHSA-N	O=C(O)CCCCCCC/C=CC/C=CC/C=CCC	linolenate (18:3n3 or 3n6)		4444437	HMDB0003073,HMDB0001388	C06426,C06427	5280933,5280934	Neg
chlorogenate	100001349	34120	144861	Xenobiotics	Food Component/Plant	4865	NAMED	CWVRJTMFETXNAD-DUXPYHPUSA-N	O=C(/C=C/C1=CC(O)=C(C=C1)O)OC2C(C(CC(C2)(C(O)=O)O)O)O	chlorogenate	6001-76-9	4475041	HMDB0003164	C00852	1794427	Neg
aconitate [cis or trans]	100001359	46173	144239	Energy	TCA Cycle	1458	NAMED			aconitate [cis or trans]			HMDB0000958,HMDB000072	C004174,C02341	444212,643757	Neg
1-linoleoyl-GPC (18:2)	100001395	34419	126944	Lipid	Lysophospholipid	2633	NAMED	SPJFYYJXNPEZDW-UTJQPWESSA-N	O=P(OCC(O)COC(CCCCCCC/C=CC/C=CCCCCC)=O)([O-])OCC[N+](C)(C)C	1-linoleoyl-GPC (18:2)		10160888	HMDB0010386	C04100	11988421	Neg
1,3,7-trimethylurate	100001397	34404	126930	Xenobiotics	Xanthine Metabolism	4620	NAMED	BYXCFUMGEBZDDI-UHFFFAOYSA-N	CN(C(N1C)=O)C(NC2=O)=C(N2C)C1=O	1,3,7-trimethylurate	5415-44-1	71754	HMDB0002123	C16361	79437	Neg
3,7-dimethylurate	100001398	34399	126922	Xenobiotics	Xanthine Metabolism	4619	NAMED	HMLZLHKHNBLLJD-UHFFFAOYSA-N	CN1C(NC(C(N2C)=C1NC2=O)=O)=O	3,7-dimethylurate	13087-49-5	74994	HMDB0001982	C16360	83126	Neg
1,7-dimethylurate	100001399	34400	126924	Xenobiotics	Xanthine Metabolism	4618	NAMED	NOFNCLGCUJJPKU-UHFFFAOYSA-N	CN1C(NC(N2)=C(C1=O)N(C)C2=O)=O	1,7-dimethylurate	33868-03-0	82720	HMDB0011103	C16356	91611	Neg
1-methylxanthine	100001405	34389	126906	Xenobiotics	Xanthine Metabolism	4621	NAMED	MVOYJPOZRLFTCP-UHFFFAOYSA-N	O=C(N1C)NC2=C(NC=N2)C1=O	1-methylxanthine	6136-37-4	72464	HMDB0010738	C16358	80220	Neg
N1-methylinosine	100001409	48351	179456	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	4145	NAMED	WJNGQIYEQLPJMN-UHFFFAOYSA-N	OC(C1O)C(OC1CO)N(C=N2)C(N=CN3C)=C2C3=O	N1-methylinosine	20245-33-4	513976	HMDB0002721		650095	Neg
N6-carbamoylthreonyladenosine	100001415	35157	126974	Nucleotide	Purine Metabolism, Adenine containing	4183	NAMED	UNUYMBPXEFMLNW-HZPYULPISA-N	OC(C)C(C(O)=O)NC(NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)=O	N6-carbamoylthreonyladenosine	24719-82-2	141829	HMDB0041623		161466	Neg
phenylacetylglutamine	100001417	35126	126960	Peptide	Acetylated Peptides	1203	NAMED	JFLIEFSWGNOPJJ-JTQLQIEISA-N	O=C(CC1=CC=CC=C1)N[C@@H](CCC(N)=O)C(O)=O	phenylacetylglutamine	28047-15-6	270643	HMDB0006344	C04148	92258	Neg
4-hydroxyhippurate	100001423	35527	127577	Xenobiotics	Benzoate Metabolism	4490	NAMED	ZMHLUFWWWPBTIU-UHFFFAOYSA-N	O=C(NCC(O)=O)C1=CC=C(O)C=C1	4-hydroxyhippurate	2482-25-9	133104	HMDB0013678		151012	Neg
5,6-dihydrouridine	100001425	61833	218435	Nucleotide	Pyrimidine Metabolism, Uracil containing	4241	NAMED	ZPTBLXKRQACLCR-XVFCMESISA-N	OC[C@H]1O[C@@H](N2CCC(NC2=O)=O)[C@@H]([C@@H]1O)O	5,6-dihydrouridine	5627-05-4	85115	HMDB0000497		94312	Neg
1-margaroylglycerol (17:0)	100001429	34391	152504	Lipid	Monoacylglycerol	2871	NAMED	SVUQHVRAGMNPLW-UHFFFAOYSA-N	OCC(O)COC(CCCCCCCCCCCCCCCC)=O	1-margaroylglycerol (17:0)	68002-72-2	96316			107036	Neg
1-pentadecanoylglycerol (15:0)	100001431	47898	151551	Lipid	Monoacylglycerol	2868	NAMED	QSKPZDMBULYMDQ-UHFFFAOYSA-N	O=C(CCCCCCCCCCCCCC)OCC(O)CO	1-pentadecanoylglycerol (15:0)	104140-07-0	165667			190750	Neg
1-linolenoylglycerol (18:3)	100001435	34393	126910	Lipid	Monoacylglycerol	2875	NAMED	XQBHBEXBUZDCRY-QNEBEIHSSA-N	O=C(OCC(O)CO)CCCCC=C/CC=C/CC=C/CCCCC	1-linolenoylglycerol (18:3)	124151-74-2	21403134	HMDB0011569		53480978	Neg
5-methyluridine (ribothymidine)	100001446	35136	128207	Nucleotide	Pyrimidine Metabolism, Uracil containing	4243	NAMED	DWRXFEITVBNRMK-JXOAFFINSA-N	O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N(C=C2C)C(NC2=O)=O	5-methyluridine (ribothymidine)	1463-10-1	393058	HMDB0000884		445408	Neg
valerylglycine	100001451	36768	128295	Lipid	Fatty Acid Metabolism (Acyl Glycine)	1820	NAMED	NYZBWOSRZJKQAI-UHFFFAOYSA-N	OC(CNC(CCCC)=O)=O	valerylglycine (C5)	24003-66-5	3924818	HMDB0000927		4737557	Neg
isovalerylglycine	100001452	35107	126956	Amino Acid	Leucine, Isoleucine and Valine Metabolism	358	NAMED	ZRQXMKMBBMNNQC-UHFFFAOYSA-N	O=C(O)CNC(CC(C)C)=O	isovalerylglycine	16284-60-9	475516	HMDB00678		546304	Neg
3-hydroxydodecanedioate*	100001454	62915	220767	Lipid	Fatty Acid, Dicarboxylate	1704	NAMED	FYVQCLGZFXHEGL-UHFFFAOYSA-N	O=C(O)CC(O)CCCCCCCCC(O)=O	3-hydroxydodecanedioate*	34574-69-1	13628081	HMDB0000413		16663321	Neg
1-stearoyl-GPG (18:0)	100001462	34437	126952	Lipid	Lysophospholipid	2728	NAMED	HFJVKBVEKQHVTO-OZAIVSQSSA-N	O=P(OCC(O)CO)(O)OC[C@H](O)COC(CCCCCCCCCCCCCCCCC)=O	1-stearoyl-GPG (18:0)		21403138				Neg
N1-methyl-2-pyridone-5-carboxamide	100001468	40469	143005	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	4343	NAMED	JLQSXXWTCJPCBC-UHFFFAOYSA-N	O=C(C1=C([H])N(C(C([H])=C1[H])=O)C([H])([H])[H])N([H])[H]	N1-methyl-2-pyridone-5-carboxamide	701-44-0	62899	HMDB0004193	C05842	69698	Neg
mead acid (20:3n9)	100001472	35174	126980	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	1596	NAMED	UNSRRHDPHVZAHH-YOILPLPUSA-N	O=C(O)CCCC=C/C/C=CC/C=CCCCCCCCC	mead acid (20:3n9)	20590-32-3	4471956	HMDB0010378		5312531	Neg
phenol sulfate	100001510	32553	143728	Amino Acid	Tyrosine Metabolism	195	NAMED	CTYRPMDGLDAWRQ-UHFFFAOYSA-N	OS(OC1=CC=CC=C1)(=O)=O	phenol sulfate	937-34-8	67018	HMDB0060015	C02180	74426	Neg
hexanoylglycine	100001527	35436	128227	Lipid	Fatty Acid Metabolism (Acyl Glycine)	1822	NAMED	UPCKIPHSXMXJOX-UHFFFAOYSA-N	O=C(O)CNC(CCCCC)=O	hexanoylglycine (C6)	24003-67-6	89859	HMDB0000701		99463	Neg
2-hydroxy-3-methylvalerate	100001541	36746	128281	Amino Acid	Leucine, Isoleucine and Valine Metabolism	400	NAMED	RILPIWOPNGRASR-UHFFFAOYSA-N	O=C(C(C(CC)C)O)O	2-hydroxy-3-methylvalerate	488-15-3	144317	HMDB0000317		164623	Neg
ferulate	100001542	35630	128243	Xenobiotics	Food Component/Plant	4921	NAMED	KSEBMYQBYZTDHS-HWKANZROSA-N	COC1=CC(/C=C/C(O)=O)=CC=C1O	ferulate	537-98-4	393368	HMDB0000954	C01494	445858	Neg
1-myristoyl-GPE (14:0)	100001568	35627	128237	Lipid	Lysophospholipid	2676	NAMED	RPXHXZNGZBHSMJ-GOSISDBHSA-N	O=P(OCC[NH3+])([O-])OC[C@H](O)COC(CCCCCCCCCCCCC)=O	1-myristoyl-GPE (14:0)	123060-40-2	7826020	HMDB0011500	C04438	86583448	Neg
N-acetylcitrulline	100001577	48434	155079	Amino Acid	Urea cycle; Arginine and Proline Metabolism	511	NAMED	WMQMIOYQXNRROC-LURJTMIESA-N	OC([C@@H](NC(C)=O)CCCNC(N)=O)=O	N-acetylcitrulline	33965-42-3	571213	HMDB0000856	C15532,C02851	656979	Neg
2-hydroxypalmitate	100001579	35675	128275	Lipid	Fatty Acid, Monohydroxy	1985	NAMED	JGHSBPIZNUXPLA-UHFFFAOYSA-N	O=C(O)C(O)CCCCCCCCCCCCCC	2-hydroxypalmitate	764-67-0	83805	HMDB0031057		12575964,92836,11065598	Neg
docosapentaenoate (n6 DPA; 22:5n6)	100001580	37478	127695	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	1593	NAMED	AVKOENOBFIYBSA-WMPRHZDHSA-N	OC(CC/C=CC/C=CC/C=CC/C=CC/C=CCCCCC)=O	docosapentaenoate (n6 DPA; 22:5n6)	25182-74-5	4945614	HMDB0001976	C16513	6441454	Neg
isobutyrylglycine	100001590	35437	128229	Amino Acid	Leucine, Isoleucine and Valine Metabolism	432	NAMED	DCICDMMXFIELDF-UHFFFAOYSA-N	O=C(O)CNC(C(C)C)=O	isobutyrylglycine (C4)	15926-18-8	9030891	HMDB0000730		10855600	Neg
phenylpropionylglycine	100001591	35434	128225	Xenobiotics	Benzoate Metabolism	4581	NAMED	YEIQSAXUPKPPBN-UHFFFAOYSA-N	O=C(O)CNC(CCC1=CC=CC=C1)=O	phenylpropionylglycine	56613-60-6	134261	HMDB0000860		152323	Neg
hydroquinone sulfate	100001604	35322	144222	Xenobiotics	Drug - Topical Agents	5987	NAMED	FPXPQMOQWJZYBL-UHFFFAOYSA-N	OC1=CC=C(C=C1)OS(=O)(O)=O	hydroquinone sulfate	123-31-9	141624	HMDB0240263	C00530	161220	Neg
catechol sulfate	100001605	35320	143730	Xenobiotics	Benzoate Metabolism	4519	NAMED	MZPWKJZDOCIALD-UHFFFAOYSA-N	O=S(OC1=C(O)C=CC=C1)(O)=O	catechol sulfate	4918-96-1	2341024	HMDB0059724		3083879	Neg
N-acetyl-aspartyl-glutamate (NAAG)	100001612	35665	128269	Amino Acid	Glutamate Metabolism	57	NAMED	OPVPGKGADVGKTG-UHFFFAOYSA-N	CC(NC(C(NC(CCC(O)=O)C(O)=O)=O)CC(O)=O)=O	N-acetyl-aspartyl-glutamate (NAAG)	3106-85-2	5065	HMDB0001067	C12270	188803	Neg
tetradecanedioate (C14-DC)	100001613	35669	128271	Lipid	Fatty Acid, Dicarboxylate	1708	NAMED	HQHCYKULIHKCEB-UHFFFAOYSA-N	O=C(O)CCCCCCCCCCCCC(O)=O	tetradecanedioate (C14)	821-38-5	12630	HMDB0000872		13185	Neg
hexadecanedioate (C16-DC)	100001614	35678	128277	Lipid	Fatty Acid, Dicarboxylate	1712	NAMED	QQHJDPROMQRDLA-UHFFFAOYSA-N	O=C(O)CCCCCCCCCCCCCCC(O)=O	hexadecanedioate (C16)	505-54-4	10027	HMDB0000672	C19615	10459	Neg
octadecanedioate (C18-DC)	100001615	36754	128289	Lipid	Fatty Acid, Dicarboxylate	1715	NAMED	BNJOQKFENDDGSC-UHFFFAOYSA-N	O=C(O)CCCCCCCCCCCCCCCCC(O)=O	octadecanedioate (C18)	871-70-5	63283	HMDB0000782		70095	Neg
undecanedioate (C11-DC)	100001617	42395	128311	Lipid	Fatty Acid, Dicarboxylate	1700	NAMED	LWBHHRRTOZQPDM-UHFFFAOYSA-N	O=C(O)CCCCCCCCCC(O)=O	undecanedioate (C11-DC)	1852-04-6	15037	HMDB0000888		15816	Neg
1-myristoylglycerol (14:0)	100001618	35625	128233	Lipid	Monoacylglycerol	2866	NAMED	DCBSHORRWZKAKO-UHFFFAOYSA-N	O=C(CCCCCCCCCCCCC)OCC(O)CO	1-myristoylglycerol (14:0)	75685-84-6	71382	HMDB0011561	C01885	10957631	Neg
2-(4-hydroxyphenyl)propionate	100001622	35632	128247	Xenobiotics	Benzoate Metabolism	4591	NAMED	ZHMMPVANGNPCBW-UHFFFAOYSA-N	CC(C1=CC=C(O)C=C1)C(O)=O	2-(4-hydroxyphenyl)propionate	938-96-5	92601	HMDB0041683	C03080	102526	Neg
3-(2-hydroxyphenyl)propionate	100001623	35634	128249	Xenobiotics	Benzoate Metabolism	4561	NAMED	CJBDUOMQLFKVQC-UHFFFAOYSA-N	OC1=C(C=CC=C1)CCC(O)=O	3-(2-hydroxyphenyl)propionate	495-78-3	850	HMDB0033752	C01198	6930705	Neg
3-(3-hydroxyphenyl)propionate	100001624	35635	128251	Xenobiotics	Benzoate Metabolism	4592	NAMED	QVWAEZJXDYOKEH-UHFFFAOYSA-N	O=C(CCC1=CC(O)=CC=C1)O	3-(3-hydroxyphenyl)propionate	621-54-5	89	HMDB0000375	C11457	91	Neg
formononetin	100001632	35657	152530	Xenobiotics	Food Component/Plant	4932	NAMED	HKQYGTCOTHHOMP-UHFFFAOYSA-N	O=C1C2=CC=C(O)C=C2OC=C1C3=CC=C(OC)C=C3	formononetin	485-72-3	4444070	HMDB0005808	C00858	5280378	Neg
vanillate	100001634	35639	128255	Xenobiotics	Food Component/Plant	4773	NAMED	WKOLLVMJNQIZCI-UHFFFAOYSA-N	OC1=CC=C(C(O)=O)C=C1OC	vanillate	121-34-6	8155	HMDB0000484	C06672	8468	Neg
1-palmitoyl-GPI (16:0)	100001655	35305	146820	Lipid	Lysophospholipid	2734	NAMED	UOXRPRZMAROFPH-AQFLIPHUSA-N	[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCCCCCCCCCCCCCC)=O)O)=O)([C@]1(O)[H])[H])O	1-palmitoyl-GPI* (16:0)			HMDB0061695		71296207	Neg
glycolithocholate sulfate*	100001657	32620	142564	Lipid	Secondary Bile Acid Metabolism	3519	NAMED	FHXBAFXQVZOILS-OETIFKLTSA-N	C[C@]12[C@@]([C@@]([C@@](CC2)([H])[C@](CC3)(C)[C@@]4([H])C[C@@H]3OS(=O)(O)=O)(CC4)[H])([H])CC[C@]1([H])[C@H](C)CCC(NCC(O)=O)=O	glycolithocholate sulfate*	15324-64-8	65188	HMDB0002639	C11301	72222	Neg
taurolithocholate 3-sulfate	100001658	36850	128309	Lipid	Secondary Bile Acid Metabolism	3521	NAMED	HSNPMXROZIQAQD-VUIPEFFGSA-N	C[C@@]([C@]([C@@](CC1)([H])[C@@]2([H])[C@](CC3)(C)[C@]1([H])C[C@@H]3OS(=O)(O)=O)(CC4)[H])(CC2)[C@]4([H])[C@H](C)CCC(NCCS(O)(=O)=O)=O	taurolithocholate 3-sulfate	64936-83-0	389078	HMDB0002580	C03642	440071	Neg
N6-succinyladenosine	100001664	48130	151119	Nucleotide	Purine Metabolism, Adenine containing	4193	NAMED	VKGZCEJTCKHMRL-UHFFFAOYSA-N	OCC(O1)C(O)C(O)C1N2C=NC3=C(NC(CC(O)=O)C(O)=O)N=CN=C32	N6-succinyladenosine	4542-23-8		HMDB0000912		165243	Neg
2,4,6-trihydroxybenzoate	100001718	35892	144358	Xenobiotics	Benzoate Metabolism	4509	NAMED	IBHWREHFNDMRPR-UHFFFAOYSA-N	O=C(O)C1=C(O)C=C(O)C=C1O	2,4,6-trihydroxybenzoate	83-30-7	59891	HMDB0029649		66520	Neg
equol	100001725	36774	128299	Xenobiotics	Food Component/Plant	4911	NAMED	ADFCQWZHKCXPAJ-UHFFFAOYSA-N	OC1=CC=C2C(OCC(C3=CC=C(O)C=C3)C2)=C1	equol	94105-90-5,531-95-3	339332	HMDB0002209	C14131	91469	Neg
hexanoylglutamine	100001733	54907	208284	Lipid	Fatty Acid Metabolism (Acyl Glutamine)	1798	NAMED	NONGMLDQXRDGIT-UHFFFAOYSA-N	O=C(CCCCC)NC(CCC(N)=O)C(O)=O	hexanoylglutamine						Neg
dihomo-linolenate (20:3n3 or n6)	100001739	35718	143707	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	1589	NAMED	AHANXAKGNAKFSK-PDBXOOCHSA-N	CCC=C/CC=C/CC=C/CCCCCCCCCC(O)=O	dihomolinolenate (20:3n3 or 3n6)	17046-59-2	4471954	HMDB0002925	C03242	5280581	Neg
4-vinylphenol sulfate	100001755	36098	144223	Xenobiotics	Benzoate Metabolism	4546	NAMED	IETVQHUKTKKBFF-UHFFFAOYSA-N	O=S(OC1=CC=C(C=C)C=C1)(O)=O	4-vinylphenol sulfate	2628-17-3	4932200	HMDB0062775	C05627	6426766	Neg
4-ethylphenylsulfate	100001756	36099	144224	Xenobiotics	Benzoate Metabolism	4544	NAMED	DWZGLEPNCRFCEP-UHFFFAOYSA-N	O=S(OC1=CC=C(CC)C=C1)(O)=O	4-ethylphenyl sulfate	123-07-9		HMDB0062551	C13637	20822574	Neg
thymol sulfate	100001757	36095	144225	Xenobiotics	Food Component/Plant	5099	NAMED	NODSEPOUFZPJEQ-UHFFFAOYSA-N	CC(C)C1=CC=C(C)C=C1OS(=O)(O)=O	thymol sulfate	89-83-8	10709958	HMDB0062720	C09908	12456386	Neg
pyrraline	100001767	48428	155071	Xenobiotics	Food Component/Plant	5139	NAMED	VTYFITADLSVOAS-UHFFFAOYSA-N	NC(C(O)=O)CCCCN1C(C=O)=CC=C1CO	pyrraline	74509-14-1	19980286	HMDB0033143	C21013	14274616	Neg
1-oleoyl-GPI (18:1)	100001777	36602	146821	Lipid	Lysophospholipid	2740	NAMED	UGDOFRYHDCDVHD-JCASDCETSA-N	[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCCCCCC/C=CCCCCCCCC)=O)O)=O)([C@]1(O)[H])[H])O	1-oleoyl-GPI (18:1)			HMDB0061693		86289645	Neg
1-linoleoyl-GPI (18:2)*	100001778	36594	146822	Lipid	Lysophospholipid	2742	NAMED	SAHCQBPGXQFTRA-WNOZMNFTSA-N	[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCCCCCC/C=CC/C=CCCCCC)=O)O)=O)([C@]1(O)[H])[H])O	1-linoleoyl-GPI* (18:2)*			HMDB0240597		11124828	Neg
sucralose	100001789	36649	127579	Xenobiotics	Food Component/Plant	4703	NAMED	BAQAVOSOZGMPRM-DYDPOALMSA-N	Cl[C@]([C@@](O[C@@](O[C@@]([C@@]1(O)[H])(CCl)O[C@]([C@]1(O)[H])(CCl)[H])([C@]2(O)[H])[H])(CO)[H])([C@]2(O)[H])[H]	sucralose	56038-13-2		HMDB0031554	C12285	71485	Neg
2-hydroxyacetaminophen sulfate*	100001791	33173	142539	Xenobiotics	Drug - Analgesics, Anesthetics	5401	NAMED	HRLQZTOIKWEZBN-UHFFFAOYSA-N	CC(NC1=C(O)C=C(OS(=O)(O)=O)C=C1)=O	2-hydroxyacetaminophen sulfate*		34448632	HMDB0062547		86290013	Neg
cosmosiin (apigenin 7-O-glucoside)	100001903	37127	151019	Xenobiotics	Food Component/Plant	4751	NAMED	KMOUJOKENFFTPU-QNDFHXLGSA-N	O=C1C2=C(OC(C3=CC=C(O)C=C3)=C1)C=C(O[C@](O[C@@]([C@@](O)([C@@]4(O)[H])[H])(CO)[H])([C@@]4(O)[H])[H])C=C2O	cosmosiin	578-74-5	4444290	HMDB0037340	C04608	5280704	Neg
syringic acid	100001919	37091	127625	Xenobiotics	Food Component/Plant	5094	NAMED	JMSVCTWVEWCHDZ-UHFFFAOYSA-N	O=C(C1=CC(OC)=C(O)C(OC)=C1)O	syringic acid	530-57-4	10289	HMDB0002085	C10833	10742	Neg
vitexin (apigenin 8-C-glucoside)	100001921	37129	127653	Xenobiotics	Food Component/Plant	4753	NAMED	SGEWCQFRYRRZDC-SZCFVHRKSA-N	O=C1C=C(C2=CC=C(O)C=C2)OC3=C1C(O)=CC(O)=C3[C@@](O[C@]([C@](O)([C@]4(O)[H])[H])(CO)[H])([C@]4(O)[H])[H]	vitexin	3681-93-4			C01460	5280441	Neg
resorcinol	100001973	37425	151025	Xenobiotics	Drug - Topical Agents	5988	NAMED	GHMLBKRAJCXXBS-UHFFFAOYSA-N	OC1=CC(O)=CC=C1	resorcinol	108-46-3	4878	HMDB0032037	D00133,C01751	5054	Neg
5alpha-pregnan-3beta,20alpha-diol disulfate	100001988	37198	144254	Lipid	Progestin Steroids	3299	NAMED	LSQGWMYMIHQKSA-VNCHAANSSA-N	C[C@@]12[C@](CCC3C2CC[C@@]4(C)C3CCC4C(OS(=O)(O)=O)C)([H])C[C@@H](OS(=O)(O)=O)CC1	5alpha-pregnan-3beta,20alpha-diol disulfate			HMDB0094650		118703093	Neg
glycocholenate sulfate*	100001989	32599	142563	Lipid	Secondary Bile Acid Metabolism	3554	NAMED	HCXZDHWUVRQLGC-UHFFFAOYSA-N	O=S(OC1CCC2(C)C(CCC3C2CCC4(C)C3CCC4C(CCC(NCC(O)=O)=O)C)=C1)(O)=O	glycocholenate sulfate*						Neg
taurocholenate sulfate*	100001990	32807	142566	Lipid	Secondary Bile Acid Metabolism	3555	NAMED	OEDITLKCLMKBOM-UHFFFAOYSA-N	O=S(OC1CCC2(C)C(CCC3C2CCC4(C)C3CCC4C(CCC(NCCS(=O)(O)=O)=O)C)=C1)(O)=O	taurocholenate sulfate*						Neg
androstenediol (3beta,17beta) disulfate (1)	100001992	37202	144229	Lipid	Androgenic Steroids	3382	NAMED	UWPTUYJASNIIJM-QJIZPQHZSA-N	C[C@@]12C(CCC3C2CC[C@@]4(C)C3CC[C@@H]4OS(=O)(O)=O)=C[C@@H](OS(=O)(O)=O)CC1	androstenediol (3beta,17beta) disulfate (1)			HMDB0240313	C04295	87120982	Neg
pregnenediol disulfate (C21H34O8S2)*	100001993	32562	149820	Lipid	Pregnenolone Steroids	3279	NAMED	RKYCGXFEFAPXIP-BWUXAKENSA-N	C[C@@]12C(CCC3C2CC[C@@]4(C)C3CCC4C(OS(=O)(O)=O)C)=CC(OS(=O)(O)=O)CC1	pregnen-diol disulfate*						Neg
androstenediol (3beta,17beta) disulfate (2)	100001994	37203	144269	Lipid	Androgenic Steroids	3383	NAMED	UWPTUYJASNIIJM-QJIZPQHZSA-N	C[C@]12C(CCC3C1CC[C@]4(C3CC[C@@H]4OS(=O)(O)=O)C)=C[C@H](CC2)OS(=O)(O)=O	androstenediol (3beta,17beta) disulfate (2)			HMDB0240313		87120982	Neg
21-hydroxypregnenolone disulfate	100001999	46115	143743	Lipid	Pregnenolone Steroids	3272	NAMED	CBOVWLYQUCVTFA-WGKOQXAXSA-N	C[C@@]1([C@H]2[C@@](COS(=O)(O)=O)=O)[C@](CC2)([H])[C@@](CC=C3[C@@]4(CC[C@H](OS(=O)(O)=O)C3)C)([H])[C@@]4([H])CC1	21-hydroxypregnenolone disulfate	1164-98-3	118625			134595	Neg
5alpha-pregnan-3beta,20beta-diol monosulfate (1)	100002009	37196	144279	Lipid	Progestin Steroids	3290	NAMED	NOGKXXMAHGCQBS-VNCHAANSSA-N	O[C@H]1CC[C@@]2(C)[C@](CCC3C2CC[C@@]4(C)C3CCC4C(C)OS(=O)(O)=O)([H])C1	5alpha-pregnan-3beta,20beta-diol monosulfate (1)			HMDB0240580			Neg
5alpha-pregnan-3beta,20alpha-diol monosulfate (1)	100002013	37199	144282	Lipid	Progestin Steroids	3292	NAMED	NOGKXXMAHGCQBS-MHACIFFSSA-N	O[C@H]1CC[C@@]2(C)[C@](CCC3C2CC[C@@]4(C)C3CCC4[C@](C)([H])OS(=O)(O)=O)([H])C1	5alpha-pregnan-3beta,20alpha-diol monosulfate (1)						Neg
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)	100002014	37200	144283	Lipid	Progestin Steroids	3293	NAMED	ZIVKBPVUJZDVBI-MHACIFFSSA-N	C[C@@]12[C@](CCC3C2CC[C@@]4(C)C3CCC4[C@](C)([H])O)([H])C[C@@H](OS(=O)(O)=O)CC1	5alpha-pregnan-3beta,20alpha-diol monosulfate (2)						Neg
5alpha-pregnan-diol disulfate	100002015	46172	144285	Lipid	Progestin Steroids	3300	NAMED	LSQGWMYMIHQKSA-UHFFFAOYSA-N	CC(OS(=O)(O)=O)C1CCC2C3CCC4CC(OS(=O)(O)=O)CCC4(C)C3CCC21C	5alpha-pregnan-diol disulfate		4302261	HMDB0240581,HMDB0240582		3082277,5127902	Neg
5alpha-androstan-3alpha,17beta-diol monosulfate (1)	100002018	37186	144270	Lipid	Androgenic Steroids	3397	NAMED	LERFMBCTNMFXCT-ILBJSTGGSA-N	C[C@@]12[C@](CCC3C2CC[C@@]4(C)C3CC[C@@H]4O)([H])C[C@H](OS(=O)(O)=O)CC1	5alpha-androstan-3alpha,17beta-diol monosulfate (1)					121596226,121596225	Neg
5alpha-androstan-3beta,17alpha-diol monosulfate (1)	100002022	37188	144292	Lipid	Androgenic Steroids	3406	NAMED	LERFMBCTNMFXCT-ILSMVHKQSA-N	O[C@@H]1CCC2C3CC[C@@]4([H])C[C@@H](OS(=O)(O)=O)CC[C@]4(C)C3CC[C@@]21C	5alpha-androstan-3beta,17alpha-diol monosulfate (1)						Neg
5alpha-androstan-3beta,17beta-diol monosulfate (1)	100002023	37191	144275	Lipid	Androgenic Steroids	3403	NAMED	LERFMBCTNMFXCT-ARKAXQQOSA-N	O[C@H]1CCC2C3CC[C@@]4([H])C[C@@H](OS(=O)(O)=O)CC[C@]4(C)C3CC[C@@]21C	5alpha-androstan-3beta,17beta-diol monosulfate (1)						Neg
androstenediol (3alpha, 17alpha) monosulfate (2)	100002026	37207	144213	Lipid	Androgenic Steroids	3386	NAMED	VPDALJSLCNNODJ-BVKUPEMCSA-N	O[C@@H]1CCC2C3CCC4=C[C@H](OS(=O)(O)=O)CC[C@]4(C)C3CC[C@@]21C	androstenediol (3alpha, 17alpha) monosulfate (2)						Neg
androstenediol (3beta,17beta) monosulfate (1)	100002028	37211	144263	Lipid	Androgenic Steroids	3379	NAMED	VPDALJSLCNNODJ-QJIZPQHZSA-N	O[C@H]1CCC2C3CCC4=C[C@@H](OS(=O)(O)=O)CC[C@]4(C)C3CC[C@@]21C	androstenediol (3beta,17beta) monosulfate (1)	521-17-5		HMDB0240429		129670631,13847309	Neg
5alpha-pregnan-3beta-ol,20-one sulfate	100002035	37480	212653	Lipid	Progestin Steroids	3289	NAMED	MENQCIVHHONJLU-PSLKZVIBSA-N	C[C@@]12C(CCC2C(C)=O)C3CC[C@@]4([H])C[C@@H](OS(=O)(O)=O)CC[C@]4(C)C3CC1	5alpha-pregnan-3beta-ol,20-one sulfate	7730-00-9					Neg
syringaldehyde	100002050	37449	127677	Xenobiotics	Food Component/Plant	5092	NAMED	KCDXJAYRVLXPFO-UHFFFAOYSA-N	O=C([H])C1=CC(OC)=C(O)C(OC)=C1	syringaldehyde	134-96-3	8333			8655	Neg
vanillin	100002051	37442	127673	Xenobiotics	Food Component/Plant	4778	NAMED	MWOOGOJBHIARFG-UHFFFAOYSA-N	COC1=CC(C([H])=O)=CC=C1O	vanillin	121-33-5	13860434	HMDB0012308	C00755	1183	Neg
pregnenediol sulfate (C21H34O5S)*	100002067	32619	149838	Lipid	Pregnenolone Steroids	3278	NAMED	MENQCIVHHONJLU-UHFFFAOYSA-N	CC(C1CCC2C3CCC4CC(OS(O)(=O)=O)CCC4(C3CCC12C)C)=O	pregnenediol sulfate (C21H34O5S)*	1247-64-9	13465233	HMDB0000774	C18044	105074	Neg
gamma-CEHC	100002094	44876	127733	Cofactors and Vitamins	Tocopherol Metabolism	4388	NAMED	VMJQLPNCUPGMNQ-UHFFFAOYSA-N	OC1=C(C)C(C)=C(OC(C)(CCC(O)=O)CC2)C2=C1	gamma-CEHC	178167-75-4	117455	HMDB0001931		133098	Neg
3-hydroxyhippurate	100002122	39600	141918	Xenobiotics	Benzoate Metabolism	4488	NAMED	XDOFWFNMYJRHEW-UHFFFAOYSA-N	O=C(C1=CC=CC(O)=C1)NCC(O)=O	3-hydroxyhippurate	1637-75-8	396603	HMDB0006116		450268	Neg
11-ketoetiocholanolone sulfate	100002125	38167	153538	Lipid	Androgenic Steroids	3354	NAMED	CYOKWIRWUPICBO-RHSBWSHKSA-N	O=C1CCC([C@]1(C)C2)C3CC[C@]4([H])C[C@H](OS(=O)(O)=O)CC[C@]4(C)C3C2=O	11-ketoetiocholanolone sulfate						Neg
16alpha-hydroxy DHEA 3-sulfate	100002126	38168	143871	Lipid	Androgenic Steroids	3358	NAMED	ALBNSVAJDFJRKQ-UAFBDMIJSA-N	O=C1[C@H](O)CC2C3CC=C4C[C@@H](OS(=O)(O)=O)CC[C@]4(C)C3CC[C@@]21C	16alpha-hydroxy DHEA 3-sulfate			HMDB0062544		20848950	Neg
pregnenolone sulfate	100002129	38170	127723	Lipid	Pregnenolone Steroids	3262	NAMED	DIJBBUIOWGGQOP-QGVNFLHTSA-N	C[C@]12CC[C@H](OS(=O)(O)=O)CC1=CC[C@@]3([H])[C@]4([H])CC[C@H]([C@](C)=O)[C@](C)4CC[C@]23[H]	pregnenolone sulfate	1247-64-9	94802	HMDB0000774	C18044	105074	Neg
secoisolariciresinol	100002144	38105	153498	Xenobiotics	Food Component/Plant	5067	NAMED	PUETUDUXMCLALY-HOTGVXAUSA-N	OC1=CC=C(C[C@@H](CO)[C@H](CO)CC2=CC=C(O)C(OC)=C2)C=C1OC	secoisolariciresinol	29388-59-8	58845	HMDB0013692	C18167	65373	Neg
1-margaroyl-GPE (17:0)*	100002171	37419	144194	Lipid	Lysophospholipid	2685	NAMED	RVNBVQKDPQVSOY-NRFANRHFSA-N	O=P(OCCN)(O)OC[C@@H](O)COC(CCCCCCCCCCCCCCCC)=O	1-margaroyl-GPE (17:0)*			HMDB0061691		52925149	Neg
indole-3-carboxylate	100002185	38116	127709	Amino Acid	Tryptophan Metabolism	321	NAMED	KMAKOBLIOCQGJP-UHFFFAOYSA-N	O=C(C1=CNC2=C1C=CC=C2)O	indole-3-carboxylate	771-50-6		HMDB0003320	C19837	69867	Neg
13-HODE + 9-HODE	100002196	37752	145686	Lipid	Fatty Acid, Monohydroxy	2031	NAMED	HNICUWMFWZBIFP-IRQZEAMPSA-N	OC(CCCCCCC/C=CC=C[C@H](CCCCC)O)=O	13-HODE + 9-HODE			HMDB0004670,HMDB0004667	C14767,C14762	5312830,5282945,1424,5282947,5282944	Neg
tribuloside	100002261	38175	153542	Xenobiotics	Food Component/Plant	5104	NAMED	DVGGLGXQSFURLP-VWMSDXGPSA-N	OC1=CC=C(/C=C/C(OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC5=C(C(O)=CC(O)=C5)C3=O)[C@H](O)[C@@H](O)[C@@H]2O)=O)C=C1	tribuloside	20316-62-5	4478707		C17140	5320686	Neg
coumestrol	100002264	38134	208230	Xenobiotics	Food Component/Plant	4885	NAMED	ZZIALNLLNHEQPJ-UHFFFAOYSA-N	O=C1OC2=C(C=CC(O)=C2)C3=C1C4=CC=C(O)C=C4O3	coumestrol	479-13-0	4445024	HMDB0002326	C10205	5281707	Neg
apiin	100002270	38174	127725	Xenobiotics	Food Component/Plant	4842	NAMED	NTDLXWMIWOECHG-MFMSCHSJSA-N	O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC2=CC(OC(C3=CC=C(O)C=C3)=CC4=O)=C4C(O)=C2)[C@@H]1O[C@@H]5OC[C@](O)(CO)[C@@H]5O	apiin	26544-34-3	17339412	HMDB0030843	C04858	5280746	Neg
dihydrodaidzein	100002326	39607	154166	Xenobiotics	Food Component/Plant	4975	NAMED	FURUXTVZLHCCNA-UHFFFAOYSA-N	OC1=CC=C(C2OC(C=C(O)C=C3)=C3C(C2)=O)C=C1	dihydrodaidzein	578-86-9	1818	HMDB29519	C09762	1889	Neg
(12 or 13)-methylmyristate (a15:0 or i15:0)	100002344	38293	141840	Lipid	Fatty Acid, Branched	1654	NAMED	ZOCYQVNGROEVLU-UHFFFAOYSA-N	CC(C)CCCCCCCCCCCC(O)=O	(12 or 13)-methylmyristate (a15:0 or i15:0)	2485-71-4	133106	HMDB0061707		151014	Neg
(16 or 17)-methylstearate (a19:0 or i19:0)	100002356	38296	141846	Lipid	Fatty Acid, Branched	1665	NAMED	YETXGSGCWODRAA-UHFFFAOYSA-N	OC(CCCCCCCCCCCCCCCC(C)C)=O	(16 or 17)-methylstearate (a19:0 or i19:0)	2724-59-6	2340933	HMDB0037397		3083779	Neg
isoursodeoxycholate	100002488	57577	212130	Lipid	Secondary Bile Acid Metabolism	3528	NAMED	RUDATBOHQWOJDD-DNMBCGTGSA-N	O=C(O)CC[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C	isoursodeoxycholate	78919-26-3	113205	HMDB0000686	C17662	127601	Neg
sulfate*	100002528	46960	148213	Xenobiotics	Chemical	6109	NAMED	QAOWNCQODCNURD-UHFFFAOYSA-N	OS(O)(=O)=O	sulfate*	14808-79-8	1086	HMDB01448	C00059	5152822	Neg
N-methylhydantoin	100002557	40006	150377	Amino Acid	Creatine Metabolism	539	NAMED	RHYBFKMFHLPQPH-UHFFFAOYSA-N	O=C(NC1=O)N(C1)C	N-methylhydantoin	616-04-6	62430	HMDB0003646	C02565	69217	Neg
L-urobilin	100002568	40173	141988	Cofactors and Vitamins	Hemoglobin and Porphyrin Metabolism	4434	NAMED	TYOWQSLRVAUSMI-WKULSOCRSA-N	OC(CCC1=C(C(CC(C(C2C)CC)NC2=O)=N/C1=C/C(NC(CC(C(C3CC)C)NC3=O)=C4C)=C4CCC(O)=O)C)=O	L-urobilin	34217-90-8	4444369	HMDB0240259	C05793	5280818	Neg
deoxythymidine diphosphate-rhamnose	100002577	57800	213729	Carbohydrate	Nucleotide Sugar	1413	NAMED	ZOSQFDVXNQFKBY-CZRCVJRHSA-N	O[C@@H](C1)[C@@H](COP(OP(OC2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)(O)=O)(O)=O)O[C@H]1N3C=C(C)C(NC3=O)=O	deoxythymidine diphosphate-rhamnose	2147-59-3	388998	HMDB0006354	C03319	439975	Neg
rosmarinate	100002776	39785	154190	Xenobiotics	Food Component/Plant	5060	NAMED	DOUMFZQKYFQNTF-WUTVXBCWSA-N	OC([C@@H](CC1=CC(O)=C(C=C1)O)OC(/C=C/C2=CC(O)=C(C=C2)O)=O)=O	rosmarinate	537-15-5	4445104	HMDB0003572	C01850	639655	Neg
glycyrrhetinate	100002856	39789	141944	Xenobiotics	Food Component/Plant	4949	NAMED	MPDGHEJMBKOTSU-WFJWTYAKSA-N	CC1([C@H](CC[C@]2(C1CC[C@@]3(C2C(C=C4C5C[C@](CC[C@@]5(CC[C@@]34C)C)([C@](O)=O)C)=O)C)C)O)C	glycyrrhetinate	471-53-4	17930566	HMDB0011628	C02283	6857363	Neg
inositol trisphosphate	100002881	38389	153386	Lipid	Inositol Metabolism	2234	NAMED	MMWCIQZXVOZEGG-XJTPDSDZSA-N	O[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(O)(O)=O)O)OP(O)(O)=O)OP(O)(O)=O)O	inositol trisphosphate			HMDB0001143	C01243	439456,439455	Neg
eriodictyol	100002887	39611	141924	Xenobiotics	Food Component/Plant	4915	NAMED	SBHXYTNGIZCORC-UHFFFAOYSA-N	OC1=CC(C2CC(C3=C(O)C=C(O)C=C3O2)=O)=CC=C1O	eriodictyol	552-58-9	10624	HMDB0005810	C05631	440735	Neg
glycoursodeoxycholate	100002911	39379	143714	Lipid	Secondary Bile Acid Metabolism	3533	NAMED	GHCZAUBVMUEKKP-XROMFQGDSA-N	[H][C@]1([C@H](C)CCC(NCC(O)=O)=O)CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C	glycoursodeoxycholate	64480-66-6	19973534	HMDB0000708		12310288	Neg
tauroursodeoxycholate	100002912	39378	143716	Lipid	Secondary Bile Acid Metabolism	3537	NAMED	BHTRKEVKTKCXOH-BWIGJTJCSA-N	O=C(NCCS(=O)(O)=O)CC[C@@H](C)C1CC[C@@]2([H])[C@]3([H])[C@@H](O)CC4C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C	tauroursodeoxycholate	14605-22-2	24539842	HMDB0000874		9848818	Neg
ursocholate	100002913	57573	212122	Lipid	Secondary Bile Acid Metabolism	3565	NAMED	BHQCQFFYRZLCQQ-QQODLWJBSA-N	C[C@@]12[C@](CCC2[C@H](C)CCC(O)=O)([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@@H]1O	ursocholate	2955-27-3		HMDB0000917	C17644	122340	Neg
3-(4-hydroxyphenyl)propionate	100002914	39587	141912	Xenobiotics	Benzoate Metabolism	4594	NAMED	NMHMNPHRMNGLLB-UHFFFAOYSA-N	OC1=CC=C(CCC(O)=O)C=C1	3-(4-hydroxyphenyl)propionate	501-97-3	9965	HMDB0002199	C01744	10394	Neg
(14 or 15)-methylpalmitate (a17:0 or i17:0)	100002945	38768	143701	Lipid	Fatty Acid, Branched	1659	NAMED	IIUXHTGBZYEGHI-UHFFFAOYSA-N	CC(CCCCCCCCCCCCCC(O)=O)C	(14 or 15)-methylpalmitate (a17:0 or i17:0)			HMDB0061859	C16995	8181,17903417	Neg
emodin	100002961	39941	221420	Xenobiotics	Drug - Gastrointestinal	5773	NAMED	RHMXXJGYXNZAPX-UHFFFAOYSA-N	O=C1C2=C(C=C(O)C=C2O)C(C3=CC(C)=CC(O)=C31)=O	emodin	518-82-1	3107	HMDB0035214	C10343	3220	Neg
pantethine	100002991	39791	154194	Cofactors and Vitamins	Pantothenate and CoA Metabolism	4357	NAMED	DJWYOLJPSHDSAL-ROUUACIJSA-N	OCC(C)(C)[C@@H](O)C(NCCC(NCCSSCCNC(CCNC([C@H](O)C(C)(C)CO)=O)=O)=O)=O	pantethine	16816-67-4	398402	HMDB0003828	C12661	452306	Neg
enterolactone	100003070	39626	141928	Xenobiotics	Food Component/Plant	4908	NAMED	HVDGDHBAMCBBLR-WMLDXEAASA-N	O=C1OC[C@H](CC2=CC(O)=CC=C2)[C@H]1CC3=CC(O)=CC=C3	enterolactone	78473-71-9	8860823	HMDB0006101	C18165	114739	Neg
enterodiol	100003072	39630	154178	Xenobiotics	Food Component/Plant	4907	NAMED	DWONJCNDULPHLV-UHFFFAOYSA-N	OCC(CC1=CC(O)=CC=C1)C(CO)CC2=CC(O)=CC=C2	enterodiol	80226-00-2	110294	HMDB0005056	C18166	123725	Neg
secoisolariciresinol diglucoside	100003073	40091	142977	Xenobiotics	Food Component/Plant	5068	NAMED	SBVBJPHMDABKJV-PGCJWIIOSA-N	O[C@H]([C@H]1O)[C@@H](O[C@H](CO)[C@H]1O)OC[C@H](CC(C=C2)=CC(OC)=C2O)[C@@H](CC(C=C3)=CC(OC)=C3O)CO[C@@H]([C@@H]([C@H]4O)O)O[C@H](CO)[C@H]4O	secoisolariciresinol diglucoside	148244-82-0	8093627	HMDB0036323		122173262,53486401,9917980,74328989	Neg
2-oxindole-3-acetate	100003109	40479	143013	Xenobiotics	Food Component/Plant	4802	NAMED	ILGMGHZPXRDCCS-UHFFFAOYSA-N	O=C(NC1=C2C=CC=C1)C2CC(O)=O	2-oxindole-3-acetate	2971-31-5	2338343	HMDB0035514		3080590	Neg
N-oleoyltaurine	100003119	39732	143757	Lipid	Endocannabinoid	2189	NAMED	KOGRJTUIKPMZEJ-KTKRTIGZSA-N	O=C(CCCCCCC/C=CCCCCCCCC)NCCS(O)(=O)=O	N-oleoyltaurine	52514-04-2	4941625			6437033	Neg
leucylglycine	100003185	40045	141970	Peptide	Dipeptide	887	NAMED	LESXFEZIFXFIQR-UHFFFAOYSA-N	O=C(C(CC(C)C)N)NCC(O)=O	leucylglycine	686-50-0	71402	HMDB0028929		79070	Neg
N-palmitoyltaurine	100003239	39835	141954	Lipid	Endocannabinoid	2191	NAMED	LPDJCYFKKSLKRO-UHFFFAOYSA-N	O=C(NCCS(=O)(O)=O)CCCCCCCCCCCCCCC	N-palmitoyltaurine	83982-06-3	14435932			14504290	Neg
N-stearoyltaurine	100003240	39730	143759	Lipid	Endocannabinoid	2190	NAMED	LMIJIHJZVURGQK-UHFFFAOYSA-N	O=C(CCCCCCCCCCCCCCCCC)NCCS(=O)(O)=O	N-stearoyltaurine	63155-80-6	147194			168274	Neg
beta-citrylglutamate	100003271	54923	208316	Amino Acid	Glutamate Metabolism	58	NAMED	GAQNUGISBQJMKO-UHFFFAOYSA-N	OC(CC(C(NC(CCC(O)=O)C(O)=O)=O)(CC(O)=O)O)=O	beta-citrylglutamate	73590-26-8	19992713		C20775	189741	Neg
ponciretin	100003286	40448	142989	Xenobiotics	Food Component/Plant	5048	NAMED	HMUJXQRRKBLVOO-UHFFFAOYSA-N	O=C1CC(C2=CC=C(OC)C=C2)OC3=CC(O)=CC(O)=C31	ponciretin	480-43-3	4293046			25201019	Neg
equol sulfate	100003429	40478	143877	Xenobiotics	Food Component/Plant	4913	NAMED	UXOJWGSGKUYMIA-UHFFFAOYSA-N	OC1=CC(OC2)=C(C=C1)CC2C3=CC=C(OS(=O)(O)=O)C=C3	equol sulfate		23936050				Neg
dihydroferulate	100003432	40481	143017	Xenobiotics	Food Component/Plant	4900	NAMED	BOLQJTPHPSDZHR-UHFFFAOYSA-N	O=C(CCC1=CC=C(O)C(OC)=C1)O	dihydroferulate	1135-23-5	13701	HMDB0062121		14340	Neg
tyrosol	100003493	41515	143915	Amino Acid	Tyrosine Metabolism	181	NAMED	YCCILVSKPBXVIP-UHFFFAOYSA-N	OC1=CC=C(CCO)C=C1	tyrosol	501-94-0	9964	HMDB0004284	C06044	10393	Neg
lariciresinol	100003494	43013	208268	Xenobiotics	Food Component/Plant	4973	NAMED	MHXCIKYXNYCMHY-AUSJPIAWSA-N	OC1=CC=[C@]([C@H]2OC[C@@H]([C@@H]2CO)CC3=CC(OC)=C(C=C3)O)C=C1OC	lariciresinol	27003-73-2	294521		C10646	332427	Neg
pinoresinol	100003495	42963	145223	Xenobiotics	Food Component/Plant	5024	NAMED	HGXBRUKMWQGOIE-AFHBHXEDSA-N	OC(C(OC)=C1)=CC=[C@]1[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3[C@]4=CC(OC)=C(O)C=C4	pinoresinol	487-36-5	66116		C05366	73399	Neg
histidylalanine	100003542	42027	145175	Peptide	Dipeptide	849	NAMED	FRJIAZKQGSCKPQ-UHFFFAOYSA-N	O=C(C(C)NC(C(CC1=CN=CN1)N)=O)O	histidylalanine	16874-75-2	312232	HMDB0028878		101180	Neg
tyrosylglycine	100003598	41375	143081	Peptide	Dipeptide	1031	NAMED	HPYDSVWYXXKHRD-UHFFFAOYSA-N	O=C(CNC(C(CC1=CC=C(C=C1)O)N)=O)O	tyrosylglycine	673-05-5	227627	HMDB0029105		7021854	Neg
(15:0)-anacardic acid	100003600	40719	143069	Xenobiotics	Food Component/Plant	4736	NAMED	ADFWQBGTDJIESE-UHFFFAOYSA-N	O=C(C1=C(CCCCCCCCCCCCCCC)C=CC=C1O)O	(15:0)-anacardic acid	16611-84-0	146579	HMDB0033896	C10759	167551	Neg
valylglycine	100003641	40475	143011	Peptide	Dipeptide	1049	NAMED	IOUPEELXVYPCPG-UHFFFAOYSA-N	O=C(C(C(C)C)N)NCC(O)=O	valylglycine	686-43-1	120256	HMDB0029127		136487	Neg
N-palmitoylglycine	100003686	42092	143937	Lipid	Fatty Acid Metabolism (Acyl Glycine)	1840	NAMED	KVTFEOAKFFQCCX-UHFFFAOYSA-N	O=C(CCCCCCCCCCCCCCC)NCC(O)=O	N-palmitoylglycine	2441-41-0	133100	HMDB0013034		151008	Neg
N-oleoylglycine	100003687	40467	143001	Lipid	Fatty Acid Metabolism (Acyl Glycine)	1842	NAMED	HPFXACZRFJDURI-KTKRTIGZSA-N	O=C(CCCCCCC/C=CCCCCCCCC)NCC(O)=O	N-oleoylglycine	2601-90-3	4941514	HMDB0013631		6436908	Neg
phenylacetylphenylalanine	100003760	40699	164733	Peptide	Acetylated Peptides	1211	NAMED	LIIPHJDKZNTNII-UHFFFAOYSA-N	O=C(C(CC1=CC=CC=C1)NC(CC2=CC=CC=C2)=O)O	phenylacetylphenylalanine	738-75-0	43291	HMDB0002372		47579	Neg
cryptochlorogenic acid	100003802	41924	144903	Xenobiotics	Food Component/Plant	4886	NAMED	GYFFKZTYYAFCTR-DUXPYHPUSA-N	O=C(OC1C(O)CC(C(O)=O)(O)CC1O)/C=C/C2=CC(O)=C(O)C=C2	cryptochlorogenic acid	905-99-7	4474874	HMDB0030653		9798666	Neg
glucoraphanin	100003835	42571	143945	Xenobiotics	Food Component/Plant	4821	NAMED	GMMLNKINDDUDCF-RFOBZYEESA-N	OS(=O)(O/N=C(CCCCS(C)=O)/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)=O	glucoraphanin	21411-41-5	7827557	HMDB0038404	C08419	6602383,6122952,9548634,656557	Neg
2-stearoyl-GPE (18:0)*	100003901	41220	142786	Lipid	Lysophospholipid	2687	NAMED	KIHAGWUUUHJRMS-JOCHJYFZSA-N	OC[C@@H](OC(CCCCCCCCCCCCCCCCC)=O)COP(OCC[NH3+])([O-])=O	2-stearoyl-GPE (18:0)*		24769218	HMDB0011129		9,065,845,353,480,660	Neg
N-acetylcarnosine	100004046	43488	144001	Amino Acid	Histidine Metabolism	88	NAMED	BKAYIFDRRZZKNF-VIFPVBQESA-N	OC([C@H](CC1=CN=CN1)NC(CCNC(C)=O)=O)=O	N-acetylcarnosine	56353-15-2	8079136	HMDB0012881		9903482	Neg
3-methylurate*	100004049	48252	153224	Xenobiotics	Xanthine Metabolism	4626	NAMED	ODCYDGXXCHTFIR-UHFFFAOYSA-N	O=C1NC(N(C)C(N2)=C1NC2=O)=O	3-methylurate*	605-99-2	11311	HMDB0001970		11804	Neg
taurohyocholate*	100004084	42603	219576	Lipid	Secondary Bile Acid Metabolism	3546	NAMED	XSOLDPYUICCHJX-QZWOQUDZSA-N	O[C@H]1C(C2[C@](CC[C@H]3O)(C)C(C3)[C@H]1O)C4[C@@](CC2)(C)C([C@H](C)CCC(NCCS(O)(=O)=O)=O)CC4	taurohyocholate*			HMDB0011637	C15516	11954195	Neg
2-hydroxydecanoate	100004089	42489	144357	Lipid	Fatty Acid, Monohydroxy	1979	NAMED	GHPVDCPCKSNJDR-UHFFFAOYSA-N	OC(C(O)=O)CCCCCCCC	2-hydroxydecanoate	5393-81-7	20195	HMDB0094656		21488	Neg
4-methylcatechol sulfate	100004111	46146	144253	Xenobiotics	Benzoate Metabolism	4526	NAMED	NCOMUGOPQPRVSE-UHFFFAOYSA-N	OC1=CC(C)=CC=C1OS(O)(=O)=O	4-methylcatechol sulfate			HMDB0240459		54104170	Neg
N-propionylalanine	100004113	42993	143969	Amino Acid	Alanine and Aspartate Metabolism	34	NAMED	INPGLFHHFHOGRM-UHFFFAOYSA-N	OC(C(C)NC(CC)=O)=O	N-propionylalanine	98632-97-4	284272	HMDB0094698		321155	Neg
N-propionylmethionine	100004125	43506	152926	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	442	NAMED	RBAAEQRITQHPJM-UHFFFAOYSA-N	OC(C(CCSC)NC(CC)=O)=O	N-propionylmethionine	52811-70-8	93617	HMDB0094704		21117855	Neg
carboxyibuprofen	100004171	43333	143985	Xenobiotics	Drug - Analgesics, Anesthetics	5419	NAMED	DIVLBIVDYADZPL-UHFFFAOYSA-N	OC(C(CC1=CC=C(C(C(O)=O)C)C=C1)C)=O	carboxyibuprofen	15935-54-3	8619532	HMDB0060564		10444113	Neg
3beta-hydroxy-5-cholenoate	100004182	43507	144005	Lipid	Secondary Bile Acid Metabolism	3558	NAMED	HIAJCGFYHIANNA-QIZZZRFXSA-N	O[C@@H]1CC2=CC[C@@]([C@@]3([H])[C@@]2(C)CC1)([H])[C@@]4([H])[C@@](CC3)(C)[C@]([C@H](C)CCC(O)=O)([H])CC4	3beta-hydroxy-5-cholenoate	5255-17-4	83950	HMDB0000308		92997	Neg
biocytin	100004272	42971	154218	Cofactors and Vitamins	Biotin Metabolism	4405	NAMED	BAQMYDQNMFBZNA-MNXVOIDGSA-N	N[C@@](CCCCNC(CCCC[C@@]1(SC[C@@]2(NC(N[C@]12[H])=O)[H])[H])=O)(C(O)=O)[H]	biocytin	576-19-2	75634	HMDB0003134	C05552	83814	Neg
tryptophol	100004275	43386	238479	Amino Acid	Tryptophan Metabolism	305	NAMED	MBBOMCVGYCRMEA-UHFFFAOYSA-N	OCCC1=CNC2=CC=CC=C12	tryptophol	526-55-6	10235	HMDB03447	C00955	10685	Neg
brilliant blue FCF (blue 1)	100004314	43434	152922	Xenobiotics	Chemical	6169	NAMED	QNOYBCOEQMOHFR-UHFFFAOYSA-N	OS(=O)(C1=CC(CN(CC)C2=CC=C(C(C3=C(S(O)(=O)=O)C=CC=C3)C4=CC=C(N(CC5=CC(S(O)(=O)=O)=CC=C5)CC)C=C4)C=C2)=CC=C1)=O	brilliant blue FCF (blue 1)	3844-45-9	98560,110249		C19352	19700	Neg
2,8-quinolinediol sulfate	100004321	48691	207569	Xenobiotics	Food Component/Plant	4798	NAMED	ZLYUIVZAQHFCNP-UHFFFAOYSA-N	O=C1C=CC2=CC=CC(OS(=O)(O)=O)=C2N1	2,8-quinolinediol sulfate			HMDB0240658			Neg
2-aminophenol sulfate	100004322	43266	143737	Xenobiotics	Food Component/Plant	5272	NAMED	VSTZVCJQGSLNLL-UHFFFAOYSA-N	NC1=CC=CC=C1OS(O)(=O)=O	2-aminophenol sulfate		158022	HMDB0061116		181670	Neg
1-stearoyl-GPS (18:0)*	100004327	45966	148646	Lipid	Lysophospholipid	2719	NAMED	ZPDQFUYPBVXUKS-KEKNWZKVSA-N	O=P(O)(OCC(O)COC(CCCCCCCCCCCCCCCCC)=O)OC[C@@H](C(O)=O)N	1-stearoyl-GPS (18:0)*		7826051	HMDB0061698		74819135	Neg
soyasaponin I	100004481	43590	208280	Xenobiotics	Food Component/Plant	5080	NAMED	PTDAHAWQAGSZDD-IOVCITQVSA-N	O[C@H]1[C@@]2(C)[C@](CC(C)(C)C1)([H])C3=CC[C@@]([C@](CC4)(C)[C@]5([H])[C@](CO)(C)[C@H]4O[C@@H]([C@@H]([C@H]6O)O[C@@H]([C@@H]([C@H]7O)O[C@@H]([C@@H]([C@@H]8O)O)O[C@@H](C)[C@@H]8O)O[C@H](CO)[C@@H]7O)O[C@H](C(O)=O)[C@H]6O)([H])[C@](CC5)(C)[C@]3(C)CC2	soyasaponin I	51330-27-9		HMDB0034649	C08983	122097	Neg
soyasaponin II	100004482	43589	208278	Xenobiotics	Food Component/Plant	5081	NAMED	IBZLICPLPYSFNZ-IVWMTKFPSA-N	O=C([C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O[C@@H]2OC[C@@H]([C@@H]([C@H]2O[C@@H]3O[C@H]([C@@H]([C@H]([C@H]3O)O)O)C)O)O)O[C@H]4CC[C@@]5([C@H]6CC=C7[C@@H]8CC(C)(C[C@H]([C@@]8(CC[C@]7([C@@]6(CC[C@H]5[C@]4(CO)C)C)C)C)O)C)C)O	soyasaponin II	55319-36-3		HMDB0034650	C12081	443614	Neg
soyasaponin III	100004483	54925	208320	Xenobiotics	Food Component/Plant	5082	NAMED	OKIHRVKXRCAJFQ-ZYNCYBBUSA-N	O[C@@H]1[C@@]2(C)[C@@](CC(C)(C)C1)([H])C3=CCC([C@](CC4)(C)C5C(CO)(C)C4O[C@@H]([C@@H]([C@H]6O)O[C@@H]([C@@H]([C@H]7O)O)O[C@H](CO)[C@@H]7O)O[C@H](C(O)=O)[C@@H]6O)[C@](CC5)(C)[C@]3(C)CC2	soyasaponin III	55304-02-4		HMDB0034651	C19865	21607811	Neg
valerylphenylalanine	100004533	44577	150402	Amino Acid	Phenylalanine Metabolism	165	NAMED	YXQLJEQFZUMUPB-UHFFFAOYSA-N	CCCCC(NC(C(O)=O)CC1=CC=CC=C1)=O	valerylphenylalanine		14753835	HMDB0094646		13890535	Neg
2-methylbutyrylphenylalanine	100004535	44580	150403	Xenobiotics	Benzoate Metabolism	4583	NAMED	MFVGNVWWWJGWNR-UHFFFAOYSA-N	O=C(C(C)CC)NC(CC1=CC=CC=C1)C(O)=O	2-methylbutyrylphenylalanine		16810457			16791623	Neg
N-formylanthranilic acid	100004561	43549	212072	Amino Acid	Tryptophan Metabolism	279	NAMED	LLLPDUXGHXIXIW-UHFFFAOYSA-N	OC(C1=CC=CC=C1N([H])C=O)=O	N-formylanthranilic acid	3342-77-6	91624	HMDB0004089	C05653	101399	Neg
2,4-dihydroxyhydrocinnamate	100005258	47113	149385	Xenobiotics	Benzoate Metabolism	4596	NAMED	HMCMTJPPXSGYJY-UHFFFAOYSA-N	O=C(O)CCC1=CC=C(O)C=C1O	2,4-dihydroxyhydrocinnamate	5631-68-5	87007	HMDB0126386		96384	Neg
1-eicosenoyl-GPE (20:1)*	100005376	62352	219482	Lipid	Lysophospholipid	2697	NAMED	JEAGLCKGAKACCE-MDZDMXLPSA-N	O=P(OCC(O)COC(CCCCCCCCC/C=C/CCCCCCCC)=O)(O)OCCN	1-eicosenoyl-GPE (20:1)*			HMDB0011518		52925139	Neg
O-sulfo-tyrosine	100005384	45413	143779	Xenobiotics	Chemical	6112	NAMED	CIQHWLTYGMYQQR-QMMMGPOBSA-N	OS(OC1=CC=C(C[C@H](N)C(O)=O)C=C1)(=O)=O	O-sulfo-tyrosine		448617	HMDB0155722		514186	Neg
ferulic acid 4-sulfate	100005389	47114	149387	Xenobiotics	Food Component/Plant	4922	NAMED	PZPATWACAAOHTJ-HWKANZROSA-N	COC1=C(OS(O)(=O)=O)C=CC(/C=C/C(O)=O)=C1	ferulic acid 4-sulfate	86321-29-1	4878542	HMDB0029200		6305574	Neg
3-(3-hydroxyphenyl)propionate sulfate	100005391	45415	153117	Xenobiotics	Benzoate Metabolism	4589	NAMED	IQWLPDPKVFZEOK-UHFFFAOYSA-N	OS(OC1=CC=CC(CCC(O)=O)=C1)(=O)=O	3-(3-hydroxyphenyl)propionate sulfate	86321-32-6	162993	HMDB0094710		187488	Neg
salidroside	100005462	45419	144847	Xenobiotics	Drug - Psychoactive	5909	NAMED	ILRCGYURZSFMEG-RKQHYHRCSA-N	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OCCC2=CC=C(C=C2)O	salidroside	10338-51-9	140088		C06046	159278	Neg
N-acetyltaurine	100005466	48187	153116	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	479	NAMED	CXJAAWRLVGAKDV-UHFFFAOYSA-N	O=S(CCNC(C)=O)(O)=O	N-acetyltaurine		140553	HMDB0240253		159864	Neg
1-oleoyl-GPG (18:1)*	100005716	45968	144192	Lipid	Lysophospholipid	2730	NAMED	FQQQKGAFQIIGLQ-VYFUBJQISA-N	O[C@H](COC(CCCCCCC/C=CCCCCCCCC)=O)COP(OCC(O)CO)(O)=O	1-oleoyl-GPG (18:1)*		34999689	HMDB0240602			Neg
1-palmitoyl-GPG (16:0)*	100005717	45970	144193	Lipid	Lysophospholipid	2725	NAMED	BVJSKAUUFXBDOB-UHFFFAOYSA-N	O=P(OCC(O)CO)(O)OCC(O)COC(CCCCCCCCCCCCCCC)=O	1-palmitoyl-GPG (16:0)*		2548639	HMDB0240601		3300276	Neg
neoponcirin (isosakuranetin-7-rutinoside)	100005738	47399	149433	Xenobiotics	Food Component/Plant	5211	NAMED	RMCRQBAILCLJGU-HIBKWJPLSA-N	O=C(C1)C(C(O)=CC(O[C@H](O[C@H](CO[C@H](O[C@H]2C)[C@H](O)[C@H](O)[C@H]2O)[C@H]3O)[C@H](O)[C@H]3O)=C4)=C4O[C@@H]1C5=CC=C(OC)C=C5	neoponcirin	603-61-2,14259-47-3	16498764	HMDB0029482		16760075	Neg
1-palmitoyl-GPS (16:0)*	100005805	46130	149868	Lipid	Lysophospholipid	2718	NAMED	XIVOBOJQPNEUSC-UXHICEINSA-N	CCCCCCCCCCCCCCCC(OC[C@]([H])(COP(O)(OC[C@]([NH3+])(C([O-])=O)[H])=O)O)=O	1-palmitoyl-GPS (16:0)*		7826050			9547100	Neg
N-linoleoyltaurine*	100005814	61826	218246	Lipid	Endocannabinoid	2194	NAMED	YIWODQVLEDDQSF-HZJYTTRNSA-N	CCCCC/C=CC/C=CCCCCCCCC(NCCS(=O)(O)=O)=O	N-linoleoyltaurine*					52922081	Neg
N-acetyl-S-allyl-cysteine	100005818	47136	149415	Xenobiotics	Food Component/Plant	5119	NAMED	LKRAEHUDIUJBSF-ZETCQYMHSA-N	OC([C@H](CSCC=C)N([H])C(C)=O)=O	N-acetyl-S-allyl-cysteine	23127-41-5	134378	HMDB0240543		152467	Neg
N-myristoyltaurine*	100005829	61825	218245	Lipid	Endocannabinoid	2187	NAMED	XPZFMHCHEWYIGE-UHFFFAOYSA-N	CCCCCCCCCCCCCC(NCCS(=O)(O)=O)=O	N-myristoyltaurine*		3037686			3810823	Neg
10-hydroxystearate	100005852	47123	149395	Lipid	Fatty Acid, Monohydroxy	2022	NAMED	PAZZVPKITDJCPV-UHFFFAOYSA-N	OC(CCCCCCCCC(O)CCCCCCCC)=O	10-hydroxystearate		7838048	HMDB0037396	C03195	9561835	Neg
narirutin (naringenin 7-O-rutinoside)	100005944	48134	151127	Xenobiotics	Food Component/Plant	5123	NAMED	HXTFHSYLYXVTHC-AJHDJQPGSA-N	O[C@@H]([C@@H]([C@H]1O)O)[C@@H](CO[C@@H]([C@@H]([C@@H]2O)O)O[C@@H](C)[C@@H]2O)O[C@H]1OC3=CC(O)=C4C(O[C@H]([C@@](C=C5)=CC=C5O)CC4=O)=C3	narirutin	14259-46-2	390871	HMDB0033740	C09793	442431	Neg
limonin	100005950	48132	151123	Xenobiotics	Food Component/Plant	5122	NAMED	KBDSLGBFQAGHBE-MSGMIQHVSA-N	O=C1[C@@]2(C)[C@@]34O[C@@H]3C(O[C@@H](C5=COC=C5)[C@]4(C)CC[C@]2([H])[C@]([C@H](C6)OC7(C)C)(COC6=O)[C@@]7([H])C1)=O	limonin	1180-71-8	156367	HMDB0035921	C03514,D00173	179651	Neg
isovaleryltryptophan	100005962	52383	164843	Amino Acid	Leucine, Isoleucine and Valine Metabolism	363	NAMED	WZQGWIDABKSUST-UHFFFAOYSA-N	O=C(O)C(NC(CC(C)C)=O)CC1=CNC2=C1C=CC=C2	isovaleryltryptophan		11856858			16771892	Neg
alpha-CEHC sulfate	100005972	47666	153114	Cofactors and Vitamins	Tocopherol Metabolism	4391	NAMED	ZQMMTPNJGWUHCB-UHFFFAOYSA-N	CC1=C(OS(O)(=O)=O)C(C)=C2C(OC(C)(CCC(O)=O)CC2)=C1C	alpha-CEHC sulfate						Neg
alpha-CEHC taurine*	100005975	62283	219256	Cofactors and Vitamins	Tocopherol Metabolism	4393	NAMED	NUOXYTRMTRCUAT-UHFFFAOYSA-N	OC1=C(C)C(C)=C(OC(C)(CCC(NCCS(=O)(O)=O)=O)CC2)C2=C1C	alpha-CEHC taurine*						Neg
diosmin (diosmetin 7-rutinoside)	100006010	48366	154260	Xenobiotics	Drug - Cardiovascular	5730	NAMED	GZSOSUNBTXMUFQ-IQFYTUTQSA-N	O=C1c2c(OC(c3cc(O)c(OC)cc3)=C1)cc(O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO[C@H]5O[C@H](C)[C@H]([C@@H]([C@@H]5O)O)O)cc2O	diosmin	520-27-4	4642588	HMDB0029548	D07858,C10039	5281613	Neg
eriocitrin (eriodictyol 7-O-rutinoside)	100006015	48365	154258	Xenobiotics	Food Component/Plant	5160	NAMED	AZXIAVOSESIQNG-SCXABSQUSA-N	Oc1c(O)c[c@@]([C@H]2Cc3c(C(C2)=O)c(O)cc(O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO[C@@H]5O[C@H]([C@@H]([C@H]([C@H]5O)O)O)O)c3)cc1	eriocitrin	13463-28-0	17216350	HMDB0005811	C09732	83489	Neg
rhoifolin (apigenin-7-neohesperidoside)	100006018	48363	154254	Xenobiotics	Food Component/Plant	4752	NAMED	RPMNUQRUHXIGHK-PYXJVEIZSA-N	C[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC3=CC(O)=C4C(OC(C5=CC=C(O)C=C5)=CC4=O)=C3)O1	rhoifolin	17306-46-6	4445347	HMDB0038848	C12627	5282150	Neg
diosmetin	100006022	48367	154262	Xenobiotics	Food Component/Plant	5132	NAMED	MBNGWHIJMBWFHU-UHFFFAOYSA-N	COC1=C(O)C=C(C2=CC(C3=C(O)C=C(O)C=C3O2)=O)C=C1	diosmetin	520-34-3	4444931	HMDB0029676	C10038	5281612	Neg
N-formylphenylalanine	100006056	48433	155077	Amino Acid	Tyrosine Metabolism	232	NAMED	NSTPXGARCQOSAU-VIFPVBQESA-N	OC([C@@H](NC=O)CC1=CC=CC=C1)=O	N-formylphenylalanine	13200-85-6	663938	HMDB0240317		759256,7064571	Neg
4-hydroxychlorothalonil	100006082	48441	154475	Xenobiotics	Chemical	6236	NAMED	MDQKYGOECVSPIW-UHFFFAOYSA-N	ClC1=C(C#N)C(Cl)=C(Cl)C(O)=C1C#N	4-hydroxychlorothalonil	28343-61-5	31530	HMDB0240624		34217	Neg
4-hydroxycinnamate sulfate	100006095	48410	160464	Amino Acid	Tyrosine Metabolism	235	NAMED	OYDCCWNLILCHDJ-ZZXKWVIFSA-N	O=C(O[H])/C=C/C1=CC=C(OS(=O)(O)=O)C=C1	4-hydroxycinnamate sulfate	376374-66-2	4797737			6070438	Neg
vanillin sulfate	100006100	48411	179125	Xenobiotics	Food Component/Plant	5190	NAMED	OUIKMDRGUNIXSP-UHFFFAOYSA-N	O=CC1=CC(OC)=C(C=C1)OS(O)(=O)=O	vanillin sulfate	744984-09-6	10798458	HMDB41789			Neg
phloroglucinol sulfate	100006102	48413	219294	Xenobiotics	Benzoate Metabolism	4557	NAMED	ZHCYTZSSXHYZLL-UHFFFAOYSA-N	OC1=CC(OS(=O)(O)=O)=CC(O)=C1	phloroglucinol sulfate	72630-02-5					Neg
maltol sulfate	100006106	48696	222424	Xenobiotics	Food Component/Plant	4650	NAMED	PVWYGTJERKKPRW-UHFFFAOYSA-N	O=C1C=COC(C)=C1OS(=O)(O)=O	maltol sulfate						Neg
methyl-4-hydroxybenzoate sulfate	100006116	48429	155073	Xenobiotics	Benzoate Metabolism	4565	NAMED	IBEAHXYYSZWGED-UHFFFAOYSA-N	O=C(OC)C1=CC=C(OS(=O)(O)=O)C=C1	methyl-4-hydroxybenzoate sulfate			HMDB0041646		10657183	Neg
21-hydroxypregnanolone disulfate	100006119	48431	155075	Lipid	Pregnenolone Steroids	3275	NAMED	SHIXQLKGLSFZQX-DATPGIFZSA-N	C[C@@]1([C@](CC[C@@](C)2[C@H]3C(COS(=O)(O)=O)=O)([H])[C@]([C@@]2(CC3)[H])(CC4)[H])[C@@]4([H])C[C@H](OS(=O)(O)=O)CC1	21-hydroxypregnanolone disulfate						Neg
N-acetylpyrraline	100006120	48438	165701	Xenobiotics	Food Component/Plant	5149	NAMED	KHSGXBFYCSMNPA-UHFFFAOYSA-N	O=C(O)C(NC(C)=O)CCCCN1C(C=O)=CC=C1CO	N-acetylpyrraline				C01227		Neg
vanillic alcohol sulfate	100006125	48733	155115	Amino Acid	Tyrosine Metabolism	233	NAMED	LGXHPUANUXIBJQ-UHFFFAOYSA-N	OCC1=CC(OC)=C(OS(O)(=O)=O)C=C1	vanillic alcohol sulfate	754920-02-0		HMDB0041788			Neg
4-vinylguaiacol sulfate	100006126	48442	155083	Xenobiotics	Food Component/Plant	5138	NAMED	FKCHAXAGQVCJPN-UHFFFAOYSA-N	COC1=C(OS(O)(=O)=O)C=CC(C=C)=C1	4-vinylguaiacol sulfate			HMDB0127980		53803570	Neg
vanillactate	100006129	54910	208290	Amino Acid	Tyrosine Metabolism	206	NAMED	SVYIZYRTOYHQRE-UHFFFAOYSA-N	OC1=C(OC)C=C(CC(C(O)=O)O)C=C1	vanillactate	2475-56-1	141152	HMDB0000913		160637	Neg
4-hydroxycatechol sulfate	100006169	62313	219295	Xenobiotics	Benzoate Metabolism	4528	NAMED	CNMKFNNTJDMNQJ-UHFFFAOYSA-N	OC1=CC(OS(O)(=O)=O)=CC=C1O	4-hydroxycatechol sulfate						Neg
pregnanolone/allopregnanolone sulfate	100006173	48394	154288	Lipid	Progestin Steroids	3307	NAMED	MENQCIVHHONJLU-GQCBXAOTSA-N	C[C@]12C(C3CC[C@@]4(C[C@@H](CC[C@@]4(C3CC2)C)OS(=O)(O)=O)[H])CCC1C(C)=O	pregnanolone/allopregnanolone sulfate			HMDB0240591,HMDB0062782	C05480	31402,129699967	Neg
2-acetamidophenol sulfate	100006190	48580	155103	Xenobiotics	Food Component/Plant	5271	NAMED	JCVGTUVGDOWZJE-UHFFFAOYSA-N	CC(NC(C=CC=C1)=C1OS(=O)(O)=O)=O	2-acetamidophenol sulfate	40712-60-5	158023			181671	Neg
umbelliferone	100006194	48557	219293	Xenobiotics	Food Component/Plant	5140	NAMED	ORHBXUUXSCNDEV-UHFFFAOYSA-N	O=C1C=CC2=CC=C(O)C=C2O1	umbelliferone	93-35-6	4444774	HMDB0029865	C09315	5281426	Neg
3,4-dihydroxyphenylacetate sulfate	100006254	48736	155117	Amino Acid	Tyrosine Metabolism	236	NAMED	ZQTJTTSZJNFQGJ-UHFFFAOYSA-N	OC(CC1=CC=C(OS(O)(=O)=O)C(O)=C1)=O	3,4-dihydroxyphenylacetate sulfate	38339-04-7	167724			193283	Neg
ethyl maltol sulfate	100006255	62314	219301	Xenobiotics	Food Component/Plant	4651	NAMED	INPWHAMPDVREIN-UHFFFAOYSA-N	O=C1C=COC(CC)=C1OS(=O)(O)=O	ethyl maltol sulfate						Neg
umbelliferone sulfate	100006282	48674	155105	Xenobiotics	Food Component/Plant	5141	NAMED	LJOOSFYJELZGMR-UHFFFAOYSA-N	O=C1C=CC2=CC=C(OS(=O)(O)=O)C=C2O1	umbelliferone sulfate	69526-88-1	114800	HMDB0240565		129659	Neg
xanthopterin	100006338	54728	207581	Cofactors and Vitamins	Pterin Metabolism	4418	NAMED	VURKRJGMSKJIQX-UHFFFAOYSA-N	OC1=C2C(N=CC(O)=N2)=NC(N)=N1	xanthopterin	5979-01-1	8091			135403800	Neg
kaempferol 3-O-glucoside/galactoside	100006353	48676	154662	Xenobiotics	Food Component/Plant	5164	NAMED	JPUKWEQWGBDDQB-BRWWBSHYSA-N	O=C1C2=C(C=C(C=C2OC(C3=CC=C(C=C3)O)=C1O[C@H]4[C@@H]([C@@H]([C@@H](C(O4)CO)O)O)O)O)O	kaempferol 3-O-glucoside/galactoside			HMDB0030864,HMDB0037429	C12249	5282102,5462193	Neg
dopamine 4-sulfate	100006360	48406	155059	Amino Acid	Tyrosine Metabolism	228	NAMED	DEKNNWJXAQTLFA-UHFFFAOYSA-N	O=S(OC1=CC=C(CCN)C=C1O)(O)=O	dopamine 4-sulfate		110461	HMDB0004148	C13691	68517194	Neg
dopamine 3-O-sulfate	100006361	48407	155061	Amino Acid	Tyrosine Metabolism	229	NAMED	NZKRYJGNYPYXJZ-UHFFFAOYSA-N	NCCC1=CC(OS(=O)(O)=O)=C(O)C=C1	dopamine 3-O-sulfate		108936	HMDB0006275	C13690	122136	Neg
daidzein sulfate (1)	100006362	48727	155109	Xenobiotics	Food Component/Plant	5150	NAMED	CQRHJEVIKOKQMO-UHFFFAOYSA-N	OC1=CC2=C(C=C1)C(C(C3=CC=C(C=C3)OS(=O)(O)=O)=CO2)=O	daidzein sulfate (1)					12114465	Neg
daidzein sulfate (2)	100006363	48728	155111	Xenobiotics	Food Component/Plant	5142	NAMED	CQRHJEVIKOKQMO-UHFFFAOYSA-N	OC1=CC2=C(C(C(C3=CC=C(OS(=O)(O)=O)C=C3)=CO2)=O)C=C1	daidzein sulfate (2)					12114465	Neg
3beta-hydroxy-5-cholestenoate	100006370	54805	207701	Lipid	Sterol	3228	NAMED	WVXOMPRLWLXFAP-AMQKJUDNSA-N	C[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]3[C@H]2CC=C4[C@]3(C)CC[C@H](O)C4)CCCC(C(O)=O)C	3beta-hydroxy-5-cholestenoate	6561-58-6		HMDB0012453	C17333	165511	Neg
gentisic acid-5-glucoside	100006372	48729	155113	Xenobiotics	Chemical	6251	NAMED	CBTFERBMQQAROP-BZNQNGANSA-N	O[C@H]([C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1CO)OC2=CC(C(O)=O)=C(O)C=C2	gentisic acid-5-glucoside	1820-89-9	9089323			101339724	Neg
1,2,3-benzenetriol sulfate (1)	100006373	48761	155123	Xenobiotics	Chemical	6249	NAMED	NGVLEQPKHLWZLN-UHFFFAOYSA-N	OC1=C(O)C(OS(=O)(O)=O)=CC=C1	1,2,3-benzenetriol sulfate (1)						Neg
1,2,3-benzenetriol sulfate (2)	100006374	48762	155125	Xenobiotics	Chemical	6241	NAMED	NGVLEQPKHLWZLN-UHFFFAOYSA-N	OC1=C(O)C(OS(=O)(O)=O)=CC=C1	1,2,3-benzenetriol sulfate (2)			HMDB0060018,HMDB0060016		92013662,54110629	Neg
3-methoxycatechol sulfate (1)	100006375	48763	155127	Xenobiotics	Benzoate Metabolism	4562	NAMED	NTXOJWKIHIOUQN-UHFFFAOYSA-N	OC1=C(C=CC=C1OS(=O)(O)=O)OC	3-methoxycatechol sulfate (1)					129892430	Neg
3-methoxycatechol sulfate (2)	100006376	48752	155119	Xenobiotics	Benzoate Metabolism	4563	NAMED	NTXOJWKIHIOUQN-UHFFFAOYSA-N	OC1=C(OC)C=CC=C1OS(=O)(O)=O	3-methoxycatechol sulfate (2)						Neg
diethyl phosphate	100006436	64496	238493	Xenobiotics	Chemical	6230	NAMED	UCQFCFPECQILOL-UHFFFAOYSA-N	CCOP(O)(OCC)=O	diethyl phosphate	598-02-7	634	HMDB0012209	C06608	654	Neg
3-hydroxyphenylacetate sulfate	100006634	52921	166026	Amino Acid	Tyrosine Metabolism	239	NAMED	VBCLPDSIELLWDI-UHFFFAOYSA-N	OS(OC1=CC(CC(O)=O)=CC=C1)(=O)=O	3-hydroxyphenylacetate sulfate						Neg
glycochenodeoxycholate 3-sulfate	100006641	52974	166124	Lipid	Primary Bile Acid Metabolism	3493	NAMED	DKXXSIJHWWVNMO-ISIKUUMTSA-N	OS(OC1C[C@]2([H])C(CC1)(C)[C@@H]3[C@@]([C@@](CC4)([H])[C@@](CC3)(C)[C@H]4[C@H](C)CCC(NCC(O)=O)=O)([H])[C@H](O)C2)(=O)=O	glycochenodeoxycholate 3-sulfate			HMDB0002409,HMDB0002496,HMDB0002497		21116917,21125002,11954205	Neg
glycodeoxycholate 3-sulfate	100006642	52975	166126	Lipid	Secondary Bile Acid Metabolism	3559	NAMED	QJZCNFGUZPMYAX-WWZCPACMSA-N	OS(OC1CC[C@@]2(C)[C@@](CC[C@]3([H])[C@]2([H])C[C@H](O)[C@@]4(C)[C@]3(CC[C@@H]4[C@H](C)CCC(NCC(O)=O)=O)[H])([H])C1)(=O)=O	glycodeoxycholate 3-sulfate					101602538	Neg
taurodeoxycholic acid 3-sulfate	100006644	62889	220740	Lipid	Secondary Bile Acid Metabolism	3509	NAMED	UCVGCHGIKFWAGH-WQVRBXQRSA-N	C[C@@]12[C@@](CCC3C2C[C@H](O)[C@@]4(C)C3CC[C@@H]4[C@@H](CCC(NCCS(O)(=O)=O)=O)C)([H])C[C@H](OS(O)(=O)=O)CC1	taurodeoxycholic acid 3-sulfate						Neg
linoleoyl ethanolamide	100006726	52608	166573	Lipid	Endocannabinoid	2199	NAMED	KQXDGUVSAAQARU-HZJYTTRNSA-N	CCCCC/C=CC/C=CCCCCCCCC(NCCO)=O	linoleoyl ethanolamide	68171-52-8	4446566	HMDB0012252		5283446	Neg
tyrosol sulfate	100008926	52754	166418	Amino Acid	Tyrosine Metabolism	182	NAMED	VCRXMIQBQGCAAL-UHFFFAOYSA-N	O=S(OC1=CC=C(CCO)C=C1)(O)=O	tyrosol sulfate	28116-27-0	30777652	HMDB0041785		102186806	Neg
oleate/vaccenate (18:1)	100008930	52285	164313	Lipid	Long Chain Monounsaturated Fatty Acid	1550	NAMED	ZQPPMHVWECSIRJ-KTKRTIGZSA-N	OC(CCCCCCC/C=CCCCCCCCC)=O	oleate/vaccenate (18:1)			HMDB0003231,HMDB0000573,HMDB0240219,HMDB0000207	C21944,C08367,C01712,C00712	5282761,637517,5281127,445639	Neg
phenylacetyltaurine	100008932	63154	221893	Peptide	Acetylated Peptides	1213	NAMED	QUWZFULUMBECLL-UHFFFAOYSA-N	O=C(NCCS(=O)(O)=O)CC1=CC=CC=C1	phenylacetyltaurine	33953-90-1	1627903			2179693	Neg
3-hydroxystearate	100008933	52938	166054	Lipid	Fatty Acid, Monohydroxy	2006	NAMED	POMQYTSPMKEQNB-UHFFFAOYSA-N	OC(CC(O)CCCCCCCCCCCCCCC)=O	3-hydroxystearate	45261-96-9	4446034	HMDB10737		5282907	Neg
2-hydroxylaurate	100008934	52916	166016	Lipid	Fatty Acid, Monohydroxy	1983	NAMED	YDZIJQXINJLRLL-UHFFFAOYSA-N	OC(C(O)CCCCCCCCCC)=O	2-hydroxylaurate	2984-55-6	88259			97783	Neg
1-palmitoleoylglycerol (16:1)*	100008952	52431	164555	Lipid	Monoacylglycerol	2870	NAMED	KVYUBFKSKZWZSV-BQYQJAHWSA-N	CCCCCC/C=C/CCCCCCCC(OCC(O)CO)=O	1-palmitoleoylglycerol (16:1)*			HMDB0011565			Neg
phenylacetylglutamate	100009045	52925	166034	Peptide	Acetylated Peptides	1202	NAMED	PTSRBZOZSRJCKX-JTQLQIEISA-N	O=C(N[C@H](C(O)=O)CCC(O)=O)CC1=CC=CC=C1	phenylacetylglutamate		9754592	HMDB0059772		11579826	Neg
(3'-5')-guanylyluridine	100009056	52743	166412	Nucleotide	Dinucleotide	4314	NAMED	HQXUOLIEBGPXRE-VMIOUTBZSA-N	O[C@H]([C@@H]1OP(OC[C@H]2O[C@@H](N(C=CC3=O)C(N3)=O)[C@H](O)[C@@H]2O)(O)=O)[C@@H](O[C@@H]1CO)N4C(N=C(N)NC5=O)=C5N=C4	(3'-5')-guanylyluridine	4785-07-3	32821064			145459101	Neg
(3'-5')-uridylylguanosine	100009057	52742	166411	Nucleotide	Dinucleotide	4316	NAMED	BJDSHVBWORJTID-VMIOUTBZSA-N	O[C@H]([C@@H]1O)[C@@H](O[C@@H]1COP(O[C@@H]([C@H]2O)[C@H](O[C@H]2N(C=CC3=O)C(N3)=O)CO)(O)=O)N4C(N=C(N)NC5=O)=C5N=C4	(3'-5')-uridylylguanosine	3474-04-2	96654			107394	Neg
(3'-5')-uridylyluridine	100009058	52741	166410	Nucleotide	Dinucleotide	4317	NAMED	KXSPLNAXPMVUEC-NCOIDOBVSA-N	O[C@H]1[C@H](N(C=CC2=O)C(N2)=O)O[C@H](CO)[C@H]1OP(OC[C@H]3O[C@@H](N(C=CC4=O)C(N4)=O)[C@H](O)[C@@H]3O)(O)=O	(3'-5')-uridylyluridine	2415-43-2	92384			145459105	Neg
(3'-5')-uridylyladenosine	100009059	52739	166408	Nucleotide	Dinucleotide	4318	NAMED	SWTWQWKNQDDGCS-UHFFFAOYSA-N	OC1C(C(CO)OC1N(C=C2)C(N([H])C2=O)=O)OP(OCC(C(C3O)O)OC3N4C5=NC=NC(N([H])[H])=C5N=C4)(O)=O	(3'-5')-uridylyladenosine	3256-24-4	240299			92951	Neg
(3'-5')-adenylyluridine	100009060	52740	166409	Nucleotide	Dinucleotide	4306	NAMED	RNNPIPQLZRGXIG-KPKSGTNCSA-N	O[C@H]([C@@H]1OP(OC[C@H]2O[C@@H](N(C=CC3=O)C(N3)=O)[C@H](O)[C@@H]2O)(O)=O)[C@@H](O[C@@H]1CO)N4C(N=CN=C5N)=C5N=C4	(3'-5')-adenylyluridine	3051-84-1	100483			145459093	Neg
(3'-5')-cytidylyladenosine	100009061	52744	166414	Nucleotide	Dinucleotide	4308	NAMED	ZLVJWOGZEAIPAO-KPKSGTNCSA-N	O[C@H]([C@@H]1O)[C@@H](O[C@@H]1COP(O[C@@H]([C@H]2O)[C@H](O[C@H]2N(C=CC(N)=N3)C3=O)CO)(O)=O)N4C(N=CN=C5N)=C5N=C4	(3'-5')-cytidylyladenosine	2382-66-3	82640			91519	Neg
(3'-5')-adenylylcytidine	100009062	52753	166413	Nucleotide	Dinucleotide	4304	NAMED	NHEPQPHJXSVOGF-KPKSGTNCSA-N	O[C@H]([C@@H]1OP(OC[C@H]2O[C@@H](N(C=CC(N)=N3)C3=O)[C@H](O)[C@@H]2O)(O)=O)[C@@H](O[C@@H]1CO)N4C(N=CN=C5N)=C5N=C4	(3'-5')-adenylylcytidine	4833-63-0	9050769			10875494	Neg
(3'-5')-cytidylylguanosine	100009063	52745	166415	Nucleotide	Dinucleotide	4310	NAMED	CTMZLDSMFCVUNX-VMIOUTBZSA-N	O[C@H]([C@@H]1O)[C@@H](O[C@@H]1COP(O[C@@H]([C@H]2O)[C@H](O[C@H]2N(C=CC(N)=N3)C3=O)CO)(O)=O)N4C(N=C(N)NC5=O)=C5N=C4	(3'-5')-cytidylylguanosine	2382-65-2	58611			65101	Neg
(3'-5')-guanylylcytidine	100009064	52746	166416	Nucleotide	Dinucleotide	4313	NAMED	DQTQQHQGSZWEMR-VMIOUTBZSA-N	O[C@H]([C@@H]1OP(OC[C@H]2O[C@@H](N(C=CC(N)=N3)C3=O)[C@H](O)[C@@H]2O)(O)=O)[C@@H](O[C@@H]1CO)N4C(N=C(N)NC5=O)=C5N=C4	(3'-5')-guanylylcytidine	4785-04-0	96791			145459099	Neg
1-linoleoyl-GPG (18:2)*	100009227	54885	207774	Lipid	Lysophospholipid	2732	NAMED	VEEHTGYBVMTAAF-RFFZIGDUSA-N	[H][C@@](CO)(O)COP(OC[C@]([H])(O)COC(CCCCCCC/C=CC/C=CCCCCC)=O)(O)=O	1-linoleoyl-GPG (18:2)*			HMDB0240600			Neg
isovalerylphenylalanine*	100009235	52829	165674	Amino Acid	Tyrosine Metabolism	238	NAMED	AEYFMBSSPMLYKU-UHFFFAOYSA-N	O=C(O)C(CC1=CC=CC=C1)NC(CC(C)C)=O	isovalerylphenylalanine*		11856508				Neg
phenylacetylmethionine	100009241	54736	207593	Peptide	Acetylated Peptides	1210	NAMED	OZQCZEAFOVHVSC-UHFFFAOYSA-N	CSCCC(NC(CC1=CC=CC=C1)=O)C(O)=O	phenylacetylmethionine		11427585				Neg
steviol	100009256	54797	207691	Xenobiotics	Food Component/Plant	5183	NAMED	QFVOYBUQQBFCRH-VQSWZGCSSA-N	C[C@@]12CCC[C@@](C)(C(O)=O)[C@H]1CC[C@]34[C@H]2CC[C@](C(C4)=C)(O)C3	steviol		398979	HMDB0036706	C20212	313280	Neg
stevioside	100009257	53251	179167	Xenobiotics	Food Component/Plant	5223	NAMED	UEDUENGHJMELGK-HYDKPPNVSA-N	C[C@@]12CCC[C@@](C)(C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=O)[C@H]1CC[C@]45[C@H]2CC[C@](C(C5)=C)(O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@H](O)[C@H](O)[C@@H](CO)O6)C4	stevioside		390625	HMDB0034945	C09189	442089	Neg
ursodeoxycholate sulfate (1)	100009261	52970	166116	Lipid	Secondary Bile Acid Metabolism	3562	NAMED	WHMOBEGYTDWMIG-FLHJKBNJSA-N	OS(OC1C[C@]2(C[C@@H]([C@]3([C@@]4(CC[C@@]([H])([C@]4(CC[C@@]3([C@]2(CC1)C)[H])C)[C@H](C)CCC(O)=O)[H])[H])O)[H])(=O)=O	ursodeoxycholate sulfate (1)						Neg
furaneol sulfate	100009328	54795	207689	Xenobiotics	Food Component/Plant	5181	NAMED	ZXQZXWJQZQBNQK-UHFFFAOYSA-N	OS(OC1=C(C)OC(C)C1=O)(=O)=O	furaneol sulfate					59815364	Neg
hexadecatrienoate (16:3n3)	100009393	57651	212701	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	1568	NAMED	KBGYPXOSNDMZRV-PDBXOOCHSA-N	CC/C=CC/C=CC/C=CCCCCCC(O)=O	hexadecatrienoate (16:3n3)	7561-64-0	4471853			91820460	Neg
hexadecadienoate (16:2n6)	100009394	57652	212703	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	1583	NAMED	WPJGPAAPSBVXNU-HZJYTTRNSA-N	CCCCC/C=CC/C=CCCCCCC(O)=O	hexadecadienoate (16:2n6)	28290-73-5	13628094	HMDB0000477		13932172	Neg
4-acetamidobenzoate	100009413	57585	212142	Xenobiotics	Chemical	6261	NAMED	QCXJEYYXVJIFCE-UHFFFAOYSA-N	CC(NC1=CC=C(C(O)=O)C=C1)=O	4-acetamidobenzoate	556-08-1	18177		D03836	6918889	Neg
indolepropionylglycine	100010863	54917	208304	Amino Acid	Tryptophan Metabolism	311	NAMED	WPZHLFMFBBIAFZ-UHFFFAOYSA-N	O=C(NCC(O)=O)CCC1=CNC2=C1C=CC=C2	indolepropionylglycine		5990843			129691959	Neg
2-hydroxyoleate	100010866	54920	208310	Lipid	Fatty Acid, Monohydroxy	1987	NAMED	JBSOOFITVPOOSY-KTKRTIGZSA-N	OC(C(O)=O)CCCCCC/C=CCCCCCCCC	2-hydroxyoleate	56472-29-8	7972070			9796304	Neg
1-linoleoyl-galactosylglycerol (18:2)*	100010881	62376	219517	Lipid	Galactosyl Glycerolipids	3007	NAMED	LBHUIJRTHBBWHP-HJFVYBCQSA-N	O[C@H]([C@H]1O)[C@H]([C@@H](CO)O[C@H]1OCC(COC(CCCCCCC/C=CC/C=CCCCCC)=O)O)O	1-linoleoyl-galactosylglycerol (18:2)*		4478394			5320254	Neg
1-palmitoyl-galactosylglycerol (16:0)*	100010885	62372	219513	Lipid	Galactosyl Glycerolipids	3003	NAMED	DWKQIHQQZYILDB-DISYYVGZSA-N	O[C@H]([C@H]1O)[C@H]([C@@H](CO)O[C@H]1OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)O)O	1-palmitoyl-galactosylglycerol (16:0)*		8588782			10413348	Neg
1-palmitoyl-digalactosylglycerol (16:0)*	100010890	62374	219515	Lipid	Galactosyl Glycerolipids	3011	NAMED	OQWOKDQAPBSVGH-PPHVPUNMSA-N	O[C@@H]1[C@H](O)[C@@H](O)[C@@H](OC[C@H](O)COC(CCCCCCCCCCCCCCC)=O)O[C@@H]1CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O	1-palmitoyl-digalactosylglycerol (16:0)*						Neg
2'-O-methyluridine	100010896	57655	212709	Nucleotide	Pyrimidine Metabolism, Uracil containing	4242	NAMED	SXUXMRMBWZCMEN-ZOQUXTDFSA-N	CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(NC2=O)=O)CO)O	2'-O-methyluridine	2140-76-3	92343	HMDB0240328		102212	Neg
coumaroylquinate (1)	100010906	54926	208322	Xenobiotics	Food Component/Plant	4880	NAMED	XWRHBGVVCOSNKO-OPGYGNEESA-N	OC1(C(O)=O)C[C@@H](O)C(OC(/C=C/C2=CC=C(O)C=C2)=O)[C@H](O)C1	coumaroylquinate (1)			HMDB0029681	C10441	9945785,5281766	Neg
coumaroylquinate (3)	100010908	54928	208326	Xenobiotics	Food Component/Plant	4882	NAMED	XWRHBGVVCOSNKO-OPGYGNEESA-N	OC1(C(O)=O)C[C@@H](O)C(OC(/C=C/C2=CC=C(O)C=C2)=O)[C@H](O)C1	coumaroylquinate (3)						Neg
coumaroylquinate (5)	100010910	54930	208330	Xenobiotics	Food Component/Plant	4884	NAMED	XWRHBGVVCOSNKO-OPGYGNEESA-N	OC1(C(O)=O)C[C@@H](O)C(OC(/C=C/C2=CC=C(O)C=C2)=O)[C@H](O)C1	coumaroylquinate (5)						Neg
butyrylglutamine/isobutyrylglutamine	100010911	54934	208336	Amino Acid	Glutamate Metabolism	67	NAMED	NDPAKOLXUGZWID-LURJTMIESA-N	O=C(CCC)N[C@H](C(O)=O)CCC(N)=O	butyrylglutamine/isobutyrylglutamine						Neg
2-hydroxybehenate	100015637	57663	212725	Lipid	Fatty Acid, Monohydroxy	1991	NAMED	RPGJJWLCCOPDAZ-UHFFFAOYSA-N	CCCCCCCCCCCCCCCCCCCCC(O)C(O)=O	2-hydroxybehenate		167899	HMDB0061660		193484	Neg
urolithin A	100015801	57787	213703	Xenobiotics	Bacterial/Fungal	5351	NAMED	RIUPLDUFZCXCHM-UHFFFAOYSA-N	O=c1c2cc(O)ccc2c(ccc(O)c3)c3o1	urolithin A	1143-70-0	4589709	HMDB0013695		5488186	Neg
urolithin B	100015802	57764	213661	Xenobiotics	Bacterial/Fungal	5354	NAMED	WXUQMTRHPNOXBV-UHFFFAOYSA-N	O=c1c(cccc2)c2c(ccc(O)c3)c3o1	urolithin B	1139-83-9	4528673	HMDB0013696		5380406	Neg
isohyodeoxycholate	100015988	57774	213677	Lipid	Secondary Bile Acid Metabolism	3566	NAMED	DGABKXLVXPYZII-MMTMODRTSA-N	O[C@@H]1[C@@](C2)([H])[C@@](CC[C@@H]2O)(C)[C@]3([H])[C@](C1)([H])[C@@]4([H])[C@@](CC3)(C)[C@]([C@H](C)CCC(O)=O)([H])CC4	isohyodeoxycholate	570-84-3	4446910	HMDB0000664		5283822	Neg
1-palmitoyl-sulfoquinovopyranosyl-glycerol (16:0)*	100016115	62379	219526	Lipid	Monoacylglycerol	2899	NAMED	PVPLOFLVMFDWJG-BIKTWNJESA-N	CCCCCCCCCCCCCCCC(OC[C@@H](O)CO[C@]1([H])[C@H](O)[C@@H](O)[C@H](O)[C@@](O1)([H])CS(O)(=O)=O)=O	1-palmitoyl-sulfoquinovopyranosyl-glycerol (16:0)*		29330003				Neg
valeryltryptophan*	100019888	61693	217988	Amino Acid	Tryptophan Metabolism	334	NAMED	JROXMYGUCMIQQD-UHFFFAOYSA-N	O=C(O)C(NC(CCCC)=O)CC1=CNC2=C1C=CC=C2	valeryltryptophan*			HMDB0029138		3360287	Neg
2-hydroxyarachidate*	100019892	61700	218003	Lipid	Fatty Acid, Monohydroxy	1990	NAMED	CPLYLXYEVLGWFJ-UHFFFAOYSA-N	CCCCCCCCCCCCCCCCCCC(O)C(O)=O	2-hydroxyarachidate*		4395406			5225199	Neg
3-hydroxyoleate*	100019966	61843	218451	Lipid	Fatty Acid, Monohydroxy	2007	NAMED	MFBDGGFIQVOLTJ-MDZDMXLPSA-N	CCCCCCCC/C=C/CCCCCC(O)CC(O)=O	3-hydroxyoleate*						Neg
dodecenedioate (C12:1-DC)*	100019972	61864	218581	Lipid	Fatty Acid, Dicarboxylate	1705	NAMED	OHCMUMNQAHNIEP-HNQUOIGGSA-N	OC(CCC/C=C/CCCCCC(O)=O)=O	dodecenedioate (C12:1-DC)*			HMDB0000933		5283028	Neg
hexadecenedioate (C16:1-DC)*	100019975	61862	218579	Lipid	Fatty Acid, Dicarboxylate	1713	NAMED	IWTMSCUHCJHPPR-ACCUITESSA-N	O=C(O)CCCCCCCCCCCC/C=C/C(O)=O	hexadecenedioate (C16:1-DC)*						Neg
octadecenedioate (C18:1-DC)	100019978	61861	218578	Lipid	Fatty Acid, Dicarboxylate	1716	NAMED	YDPSQMGOAILWPE-FYWRMAATSA-N	O=C(O)CCCCCCCCCCCCCC/C=C/C(O)=O	octadecenedioate (C18:1-DC)					9543674	Neg
octadecadienedioate (C18:2-DC)*	100019982	61860	218580	Lipid	Fatty Acid, Dicarboxylate	1717	NAMED	ZKQNWTGXRAIVGG-PXELCPQFSA-N	O=C(O)CCCCCCCCCCCC/C=C/C=C/C(O)=O	octadecadienedioate (C18:2-DC)*						Neg
glucuronide of C10H18O2 (1)*	100019990	61881	218632	Partially Characterized Molecules	Partially Characterized Molecules	6394	NAMED			glucuronide of C10H18O2 (1)*						Neg
N-acetylglucosamine conjugate of C24H40O4 bile acid**	100020003	61869	218618	Partially Characterized Molecules	Partially Characterized Molecules	6443	NAMED			N-acetylglucosamine conjugate of C24H40O4 bile acid**						Neg
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)**	100020004	61871	218621	Lipid	Fatty Acid, Dicarboxylate	1724	NAMED	RIJDKRLRDVBUHJ-UHFFFAOYSA-N	OC(C1=C(CCC(O)=O)OC(CCCCC)=C1C)=O	3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)**		168762	HMDB0061643		194501	Neg
N-acetylglucosamine conjugate of C24H38O4 bile acid**	100020008	61870	218619	Partially Characterized Molecules	Partially Characterized Molecules	6444	NAMED			N-acetylglucosamine conjugate of C24H38O4 bile acid**						Neg
glucuronide of C10H18O2 (7)*	100020014	61887	218638	Partially Characterized Molecules	Partially Characterized Molecules	6400	NAMED			glucuronide of C10H18O2 (7)*						Neg
glucuronide of C10H18O2 (8)*	100020015	61888	218639	Partially Characterized Molecules	Partially Characterized Molecules	6401	NAMED			glucuronide of C10H18O2 (8)*						Neg
N-acetyl-2-aminooctanoate*	100020204	62059	218862	Lipid	Fatty Acid, Amino	1773	NAMED	JJGNMSOJTSABGA-UHFFFAOYSA-N	OC(C(CCCCCC)N([H])C(C)=O)=O	N-acetyl-2-aminooctanoate*		86248	HMDB0059745		95555	Neg
genistein sulfate*	100020207	62061	218865	Xenobiotics	Food Component/Plant	4895	NAMED	DKEIWIJUHWVGRC-UHFFFAOYSA-N	O=C1C(C(O)=C2)=C(C=C2OS(=O)(O)=O)OC=C1C(C=C3)=CC=C3O	genistein sulfate*						Neg
3-formylindole	100020219	62863	220649	Xenobiotics	Food Component/Plant	4806	NAMED	OLNJUISKUQQNIM-UHFFFAOYSA-N	O=CC1=CNC2=CC=CC=C12	3-formylindole	487-89-8	9838	HMDB29737	C08493	10256	Neg
pyroglutamylalanine*	100020227	62087	218912	Peptide	Modified Peptides	1218	NAMED	YIJVJUARZXCJJP-WHFBIAKZSA-N	O=C([C@H](CC1)N([H])C1=O)N([H])[C@H](C(O)=O)C	pyroglutamylalanine*		140586			159907	Neg
glutamine conjugate of C7H12O2*	100020259	63658	223041	Partially Characterized Molecules	Partially Characterized Molecules	6424	NAMED			glutamine conjugate of C7H12O2*						Neg
dihydroferulic acid sulfate	100020272	62857	220633	Xenobiotics	Food Component/Plant	4901	NAMED	UMCDODPBPQMWQP-UHFFFAOYSA-N	COC1=C(OS(=O)(O)=O)C=CC(CCC(O)=O)=C1	dihydroferulic acid sulfate		162994	HMDB0041724		187489	Neg
tetradecadienoate (14:2)*	100020343	62850	220619	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	1567	NAMED	HXHZGHRLVRFQDR-HZJYTTRNSA-N	OC(CCC/C=CC/C=CCCCCC)=O	tetradecadienoate (14:2)*	39039-37-7	4471834	HMDB0000560		5312409	Neg
8-methoxykynurenate	100020360	62955	220839	Amino Acid	Tryptophan Metabolism	284	NAMED	BXZSKDOPGDPDEG-UHFFFAOYSA-N	OC1=CC(C(O)=O)=NC(C1=CC=C2)=C2OC	8-methoxykynurenate	2929-14-8	68710	HMDB0060426	C05830	76230	Neg
3-indoleglyoxylic acid	100020372	63583	222852	Xenobiotics	Food Component/Plant	5236	NAMED	DWLVFWDCSFTDOD-UHFFFAOYSA-N	OC(C(C1=CNC2=C1C=CC=C2)=O)=O	3-indoleglyoxylic acid	1477-49-2	66497			73863	Neg
2-hydroxysebacate	100020378	63357	222415	Lipid	Fatty Acid, Dicarboxylate	1726	NAMED	LPIOYESQKJFWPQ-UHFFFAOYSA-N	OC(C(O)=O)CCCCCCCC(O)=O	2-hydroxysebacate	103963-71-9	113866	HMDB0000424		128458	Neg
enterolactone sulfate	100020407	64041	233186	Xenobiotics	Food Component/Plant	4909	NAMED	CGSFDOCYHBJLFW-WMLDXEAASA-N	O=C([C@@]1(CC2=CC(OS(=O)(O)=O)=CC=C2)[H])OC[C@@]1(CC3=CC(O)=CC=C3)[H]	enterolactone sulfate			HMDB0240506,HMDB0240505			Neg
3-hydroxyhippurate sulfate	100020410	62530	219863	Xenobiotics	Benzoate Metabolism	4489	NAMED	SBLCKJXUMHOIBU-UHFFFAOYSA-N	O=C(NCC(O)=O)C1=CC(OS(=O)(O)=O)=CC=C1	3-hydroxyhippurate sulfate		161984			186339	Neg
delta-CEHC	100020416	62287	219260	Cofactors and Vitamins	Tocopherol Metabolism	4396	NAMED	BNVXCCQXUZCRSR-UHFFFAOYSA-N	OC1=CC2=C(C(C)=C1)OC(CCC(O)=O)(C)CC2	delta-CEHC	84599-16-6	9710906			35027084	Neg
gamma-CEHC sulfate	100020480	62280	219253	Cofactors and Vitamins	Tocopherol Metabolism	4399	NAMED	XJAVOQFBEMHLBM-UHFFFAOYSA-N	O=S(OC1=C(C)C(C)=C2C(CCC(C)(CCC(O)=O)O2)=C1)(O)=O	gamma-CEHC sulfate						Neg
gamma-CEHC taurine*	100020482	62282	219255	Cofactors and Vitamins	Tocopherol Metabolism	4401	NAMED	ALRLHGFKZOHNAJ-UHFFFAOYSA-N	OC1=C(C)C(C)=C2C(CCC(C)(CCC(NCCS(=O)(O)=O)=O)O2)=C1	gamma-CEHC taurine*						Neg
sulfate of piperine metabolite C16H19NO3 (1)*	100020495	62294	219273	Xenobiotics	Food Component/Plant	5038	NAMED			sulfate of piperine metabolite C16H19NO3 (1)*						Neg
sulfate of piperine metabolite C16H19NO3 (2)*	100020496	62295	219274	Xenobiotics	Food Component/Plant	5039	NAMED			sulfate of piperine metabolite C16H19NO3 (2)*						Neg
sulfate of piperine metabolite C16H19NO3 (3)*	100020497	62296	219275	Xenobiotics	Food Component/Plant	5040	NAMED			sulfate of piperine metabolite C16H19NO3 (3)*						Neg
sulfate of piperine metabolite C15H17NO3 (1)*	100020498	62304	219283	Xenobiotics	Food Component/Plant	5034	NAMED			sulfate of piperine metabolite C15H17NO3 (1)*						Neg
sulfate of piperine metabolite C15H17NO3 (2)*	100020499	62305	219284	Xenobiotics	Food Component/Plant	5035	NAMED			sulfate of piperine metabolite C15H17NO3 (2)*						Neg
sulfate of piperine metabolite C16H17NO3 (1)*	100020500	62306	219285	Xenobiotics	Food Component/Plant	5036	NAMED			sulfate of piperine metabolite C16H17NO3 (1)*						Neg
sulfate of piperine metabolite C16H17NO3 (2)*	100020501	62307	219286	Xenobiotics	Food Component/Plant	5037	NAMED			sulfate of piperine metabolite C16H17NO3 (2)*						Neg
sulfate of piperine metabolite C18H21NO3 (1)*	100020502	62297	219276	Xenobiotics	Food Component/Plant	5045	NAMED			sulfate of piperine metabolite C18H21NO3 (1)*						Neg
sulfate of piperine metabolite C18H21NO3 (2)*	100020503	62298	219277	Xenobiotics	Food Component/Plant	5046	NAMED			sulfate of piperine metabolite C18H21NO3 (2)*						Neg
sulfate of piperine metabolite C18H21NO3 (3)*	100020504	62299	219278	Xenobiotics	Food Component/Plant	5047	NAMED			sulfate of piperine metabolite C18H21NO3 (3)*						Neg
sulfate of piperine metabolite C16H19NO4 (2)*	100020506	62301	219280	Xenobiotics	Food Component/Plant	5042	NAMED			sulfate of piperine metabolite C16H19NO4 (2)*						Neg
sulfate of piperine metabolite C16H19NO4 (3)*	100020507	62302	219281	Xenobiotics	Food Component/Plant	5043	NAMED			sulfate of piperine metabolite C16H19NO4 (3)*						Neg
sulfate of piperine metabolite C16H19NO4 (4)*	100020508	62303	219282	Xenobiotics	Food Component/Plant	5044	NAMED			sulfate of piperine metabolite C16H19NO4 (4)*						Neg
4-ethylcatechol sulfate	100020536	63072	221702	Xenobiotics	Benzoate Metabolism	4525	NAMED	KHZCNGJFSKSSIJ-UHFFFAOYSA-N	OC1=CC=C(CC)C=C1OS(=O)(O)=O	4-ethylcatechol sulfate						Neg
cholic acid glucuronide	100020549	62571	219957	Lipid	Primary Bile Acid Metabolism	3490	NAMED	RBLDVEUUCHVWMW-LFKDYQRZSA-N	O[C@H]1[C@@]2([H])[C@]3([H])CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)[C@@H](O)C[C@]2([H])[C@@]4(C)CC[C@@H](OC5C(O)C(O)C(O)C(C(O)=O)O5)CC4C1	cholic acid glucuronide			HMDB0002577		21252309	Neg
4-allylcatechol sulfate	100020578	63597	222898	Xenobiotics	Benzoate Metabolism	4527	NAMED	USWXDXYEVISELK-UHFFFAOYSA-N	OS(OC1=CC=C(CC=C)C=C1O)(=O)=O	4-allylcatechol sulfate						Neg
2-palmitoyl-galactosylglycerol (16:0)*	100020696	62373	219514	Lipid	Galactosyl Glycerolipids	3004	NAMED	HHTBBUKGYSPZCI-UHFFFAOYSA-N	OCC(OC(CCCCCCCCCCCCCCC)=O)COC1OC(CO)C(O)C(O)C1O	2-palmitoyl-galactosylglycerol (16:0)*						Neg
heptadecatrienoate (17:3)*	100020715	62383	219530	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	1569	NAMED	FAFSAZIEJFMBBY-PDBXOOCHSA-N	O=C(CCCCCC/C=CC/C=CC/C=CCC)O	heptadecatrienoate (17:3)*		17220717		C16344	16061034	Neg
(3'-5')-adenylyladenosine*	100020723	62396	219543	Nucleotide	Dinucleotide	4307	NAMED	UYSXBCQACJTYFS-XPWFQUROSA-N	O[C@@H]1[C@@H]([C@@H](CO)O[C@H]1N2C3=NC=NC(N([H])[H])=C3N=C2)OP(OC[C@H]([C@H]([C@H]4O)O)O[C@H]4N5C6=NC=NC(N([H])[H])=C6N=C5)(O)=O	(3'-5')-adenylyladenosine*		85040			94231	Neg
(3'-5')-adenylylguanosine*	100020724	62760	220362	Nucleotide	Dinucleotide	4305	NAMED	LWBLDUTUVIXFJE-INFSMZHSSA-N	O[C@@H]1[C@@H]([C@@H](CO)O[C@H]1N2C3=NC=NC(N([H])[H])=C3N=C2)OP(OC[C@H]([C@H]([C@H]4O)O)O[C@H]4N5C(N([H])C(N([H])[H])=NC6=O)=C6N=C5)(O)=O	(3'-5')-adenylylguanosine*		392294			135508729	Neg
(3'-5')-guanylyladenosine*	100020725	62761	220363	Nucleotide	Dinucleotide	4312	NAMED	PBWYGOYNGCCLAU-UHFFFAOYSA-N	OC1C(OP(OCC2OC(N3C=NC4=C3N=CN=C4N)C(O)C2O)(O)=O)C(CO)OC1N5C=NC6=C5N=C(N)NC6=O	(3'-5')-guanylyladenosine*						Neg
(3'-5')-cytidylylcytidine*	100020727	62397	219544	Nucleotide	Dinucleotide	4309	NAMED	PTLMIIUMLITBQT-NCOIDOBVSA-N	O[C@@H]1[C@@H]([C@@H](CO)O[C@H]1N2C=CC(N([H])[H])=NC2=O)OP(OC[C@H]([C@H]([C@H]3O)O)O[C@H]3N4C=CC(N([H])[H])=NC4=O)(O)=O	(3'-5')-cytidylylcytidine*		85046			94237	Neg
(3'-5')-cytidylyluridine*	100020728	62399	219546	Nucleotide	Dinucleotide	4311	NAMED	VSIFECIDUDPNRC-UHFFFAOYSA-N	OC1C(OP(OCC2OC(N3C=CC(NC3=O)=O)C(O)C2O)(O)=O)C(CO)OC1N4C=CC(N)=NC4=O	(3'-5')-cytidylyluridine*					145459097	Neg
(3'-5')-uridylylcytidine*	100020729	62398	219545	Nucleotide	Dinucleotide	4315	NAMED	LENQVXALZPDAFB-UHFFFAOYSA-N	OC1C(OP(OCC2OC(N3C=CC(N)=NC3=O)C(O)C2O)(O)=O)C(CO)OC1N4C(NC(C=C4)=O)=O	(3'-5')-uridylylcytidine*					145459103	Neg
glycoursodeoxycholic acid sulfate (1)	100020819	63731	223256	Lipid	Secondary Bile Acid Metabolism	3536	NAMED	DKXXSIJHWWVNMO-XROMFQGDSA-N	[H][C@@]12[C@@]3(C)CC[C@@H](OS(=O)(O)=O)C[C@@]3([H])C[C@H](O)[C@@]1([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(NCC(O)=O)=O)[C@@]4(C)CC2	glycoursodeoxycholic acid sulfate (1)						Neg
lithocholate sulfate (1)	100020823	62526	219859	Lipid	Secondary Bile Acid Metabolism	3516	NAMED	AXDXVEYHEODSPN-HVATVPOCSA-N	[H][C@@]12[C@@]3(C)CC[C@@H](OS(=O)(O)=O)C[C@@]3([H])CC[C@@]1([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(O)=O)[C@@]4(C)CC2	lithocholate sulfate (1)					451489	Neg
lithocholic acid sulfate (2)	100020824	62527	219860	Lipid	Secondary Bile Acid Metabolism	3517	NAMED	AXDXVEYHEODSPN-HVATVPOCSA-N	[H][C@@]12[C@@]3(C)CC[C@@H](OS(=O)(O)=O)C[C@@]3([H])CC[C@@]1([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(O)=O)[C@@]4(C)CC2	lithocholic acid sulfate (2)						Neg
3-(methylthio)acetaminophen sulfate*	100020827	62567	219930	Xenobiotics	Drug - Analgesics, Anesthetics	5408	NAMED	VOXWKXZBPMQUJH-UHFFFAOYSA-N	CSC1=CC(NC(C)=O)=CC=C1OS(O)(=O)=O	3-(methylthio)acetaminophen sulfate*						Neg
2,6-dihydroxybenzoic acid	100020837	63042	221621	Xenobiotics	Drug - Topical Agents	5983	NAMED	AKEUNCKRJATALU-UHFFFAOYSA-N	OC(C1=C(O)C=CC=C1O)=O	2,6-dihydroxybenzoic acid	303-07-1	8974	HMDB0013676		9338	Neg
tauroursodeoxycholic acid sulfate (1)	100020844	62784	220399	Lipid	Secondary Bile Acid Metabolism	3538	NAMED	GLVWZDCWCRWVFM-LBSADWJPSA-N	[H][C@@]12[C@@]3(C)CC[C@@H](OS(=O)(O)=O)C[C@@]3([H])C[C@H](O)[C@@]1([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(NCCS(=O)(O)=O)=O)[C@@]4(C)CC2	tauroursodeoxycholic acid sulfate (1)						Neg
tauroursodeoxycholic acid sulfate (2)	100020845	62785	220400	Lipid	Secondary Bile Acid Metabolism	3567	NAMED	GLVWZDCWCRWVFM-LBSADWJPSA-N	[H][C@@]12[C@@]3(C)CC[C@@H](OS(=O)(O)=O)C[C@@]3([H])C[C@H](O)[C@@]1([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(NCCS(=O)(O)=O)=O)[C@@]4(C)CC2	tauroursodeoxycholic acid sulfate (2)						Neg
tetrahydrocortisol sulfate (1)	100020848	62793	220408	Lipid	Corticosteroids	3330	NAMED	UCVZOQFWMUAZJZ-GXBDJPPSSA-N	[H][C@@]12[C@@]3(C)CC[C@@H](OS(=O)(O)=O)C[C@@]3([H])CC[C@@]1([H])[C@]4([H])CC[C@](O)(C(CO)=O)[C@@]4(C)C[C@@H]2O	tetrahydrocortisol sulfate (1)						Neg
tetrahydrocortisol sulfate (2)	100020849	62794	220409	Lipid	Corticosteroids	3331	NAMED	UCVZOQFWMUAZJZ-GXBDJPPSSA-N	[H][C@@]12[C@@]3(C)CC[C@@H](OS(=O)(O)=O)C[C@@]3([H])CC[C@@]1([H])[C@]4([H])CC[C@](O)(C(CO)=O)[C@@]4(C)C[C@@H]2O	tetrahydrocortisol sulfate (2)						Neg
12-ketolithocholate	100020859	63118	221780	Lipid	Secondary Bile Acid Metabolism	3515	NAMED	CVNYHSDFZXHMMJ-VPUMZWJWSA-N	O=C1[C@@]([C@]([C@H](C)CCC(O)=O)([H])CC2)(C)[C@]2([H])[C@@]3([H])[C@@](C1)([H])[C@](CC[C@H]4O)(C)[C@](C4)([H])CC3	12-ketolithocholate	5130-29-0	2338365	HMDB0000328		3080612	Neg
3-dehydrodeoxycholate	100020860	63119	221781	Lipid	Secondary Bile Acid Metabolism	3504	NAMED	WMUMZOAFCDOTRW-OVEHVULHSA-N	O[C@@H]1[C@@]([C@]([C@H](C)CCC(O)=O)([H])CC2)(C)[C@]2([H])[C@@]3([H])[C@@](C1)([H])[C@](CCC4=O)(C)[C@](C4)([H])CC3	3-dehydrodeoxycholate	4185-01-7	141233	HMDB0062742		160738	Neg
phenylacetylaspartate	100020879	63158	221904	Peptide	Acetylated Peptides	1216	NAMED	SVFKZPQPMMZHLZ-UHFFFAOYSA-N	O=C(CC1=CC=CC=C1)NC(C(O)=O)CC(O)=O	phenylacetylaspartate	2752-32-1	489124	HMDB29355		13958181	Neg
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*	100020893	62805	220431	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	454	NAMED	XMZBEAXQGSBWLG-NSCUHMNNSA-N	OC(C(O)=O)C(O)/C=C/SC	2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*			HMDB0240388			Neg
N-oleoyl-alanine	100020939	63890	223688	Lipid	Fatty Acid Metabolism	1503	NAMED	CHQZBIVWDKADIA-ZHACJKMWSA-N	O=C(CCCCCCC/C=C/CCCCCCCC)NC(C)C(O)=O	N-oleoyl-alanine	745733-78-2	8082217			44423663	Neg
cyclo(pro-sulfo-tyr)*	100020992	62840	220604	Peptide	Dipeptide	797	NAMED	PCMCCGUMENQJAT-UHFFFAOYSA-N	O=C1C(CC2=CC=C(OS(O)(=O)=O)C=C2)NC(C3N1CCC3)=O	cyclo(pro-sulfo-tyr)*						Neg
lactobacillic acid	100021065	63048	221638	Xenobiotics	Bacterial/Fungal	5319	NAMED	IJKRDVKGCQRKBI-UHFFFAOYSA-N	CCCCCCC1CC1CCCCCCCCCC(O)=O	lactobacillic acid	503-06-0	9988			656761	Neg
natamycin	100021083	64115	235235	Xenobiotics	Drug - Antibiotic	5540	NAMED	NCXMLFZGDNKEPB-FFPOYIOWSA-N	C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@H]2[C@@H](O)[C@@H](N)[C@H](O)[C@@H](C)O2)C[C@H]3[C@H](C(O)=O)[C@@H](O)C[C@](C[C@@H](O)C[C@@H]4[C@@H](/C=C/C(O1)=O)O4)(O)O3	natamycin	7681-93-8	10468784	HMDB0014964	D00884,C08073	5281099,5284447	Neg
glycitein sulfate (2)	100021092	62887	220738	Xenobiotics	Food Component/Plant	4947	NAMED	WXAIESXRQLSDGI-UHFFFAOYSA-N	COC1=C(O)C=C2C(C(C(C3=CC=C(OS(O)(=O)=O)C=C3)=CO2)=O)=C1	glycitein sulfate (2)						Neg
taurochenodeoxycholic acid 3-sulfate	100021093	62890	220741	Lipid	Secondary Bile Acid Metabolism	3560	NAMED	IJHJZQKOSUFQCX-WZJRQFJBSA-N	[H][C@@](CCC(NCCS(O)(=O)=O)=O)([C@]1(CC[C@]2([C@@]3([C@@H](C[C@@]4(C[C@H](S(O)(=O)=O)CC[C@@]4([C@]3(C[C@H]([C@]12C)O)[H])C)[H])O)[H])[H])[H])C	taurochenodeoxycholic acid 3-sulfate		24850141	HMDB0002486		52931550	Neg
pregnenetriol sulfate*	100021103	62922	220778	Lipid	Pregnenolone Steroids	3280	NAMED	HIYOTPJZDPVBTL-HXOPQMAFSA-N	O[C@H]1C2=C[C@@H](OS(=O)(O)=O)CC[C@]2(C)C3CC[C@@]4(C)C(CCC4[C@H](O)C)C3C1	pregnenetriol sulfate*					129671303	Neg
pregnenetriol disulfate*	100021104	62921	220777	Lipid	Pregnenolone Steroids	3281	NAMED	KANYWSIUKWPEOE-HXOPQMAFSA-N	C[C@]12CC[C@H](OS(=O)(O)=O)C=C1[C@H](OS(=O)(O)=O)CC3C2CC[C@@]4(C)C3CCC4[C@H](O)C	pregnenetriol disulfate*						Neg
4-vinylcatechol sulfate	100021208	64579	238261	Xenobiotics	Benzoate Metabolism	4551	NAMED	ILVXQMHYFMBCMJ-UHFFFAOYSA-N	C=CC(C=C1O)=CC=C1OS(=O)(O)=O	4-vinylcatechol sulfate						Neg
hexanoyltaurine	100021223	63224	222081	Lipid	Endocannabinoid	2197	NAMED	ADFXUGRCALOSKU-UHFFFAOYSA-N	CCCCCC(NCCS(=O)(O)=O)=O	hexanoyltaurine		1680723			2245940	Neg
isocaproyltaurine	100021232	63225	222082	Lipid	Endocannabinoid	2186	NAMED	HDMHCMGUZRSREO-UHFFFAOYSA-N	CC(CCC(NCCS(=O)(O)=O)=O)C	isocaproyltaurine						Neg
(15:3)-anacardic acid	100021253	64092	235189	Xenobiotics	Food Component/Plant	4739	NAMED	QUVGEKPNSCFQIR-AOSYACOCSA-N	C=CC/C=C/C/C=C/CCCCCCCc1c(C(O)=O)c(O)ccc1	(15:3)-anacardic acid	103904-73-0	4534900	HMDB31059		9875131	Neg
luteolin sulfate	100021338	64044	233189	Xenobiotics	Food Component/Plant	4762	NAMED	MCJCSFGCQMESFL-UHFFFAOYSA-N	O=C1C2=C(C=C(C=C2OC(C3=CC(O)=C(C=C3)OS(=O)(O)=O)=C1)O)O	luteolin sulfate		24843759	HMDB38471			Neg
vanillic acid glycine	100021363	63853	223434	Xenobiotics	Food Component/Plant	5240	NAMED	LOODYTDRRBLQNH-UHFFFAOYSA-N	OC1=CC=C(C=C1OC)C(NCC(O)=O)=O	vanillic acid glycine		2340857	HMDB0060026		3083688	Neg
branched chain 14:0 dicarboxylic acid**	100021374	63191	221986	Lipid	Fatty Acid, Dicarboxylate	1710	NAMED	JUODHHFNSQAXKF-UHFFFAOYSA-N	CCCCCC(CCCC(O)=O)CCCC(O)=O	branched chain 14:0 dicarboxylic acid**						Neg
N-butyryl-phenylalanine	100021469	63406	222537	Amino Acid	Phenylalanine Metabolism	148	NAMED	POWFRKKVHBUFNI-UHFFFAOYSA-N	CCCC(NC(CC1=CC=CC=C1)C(O)=O)=O	N-butyryl-phenylalanine		14753680				Neg
N-isobutyryl-phenylalanine	100021471	63412	222541	Amino Acid	Phenylalanine Metabolism	149	NAMED	WJCPHVOETGDIKT-UHFFFAOYSA-N	CC(C(NC(CC1=CC=CC=C1)C(O)=O)=O)C	N-isobutyryl-phenylalanine		9293144			11118012	Neg
N-succinyl-phenylalanine	100021472	63855	223466	Amino Acid	Phenylalanine Metabolism	147	NAMED	CWAGPBPLOYGROC-UHFFFAOYSA-N	OC(CCC(NC(CC1=CC=CC=C1)C(O)=O)=O)=O	N-succinyl-phenylalanine		2384788			3131586	Neg
N-butyryl-leucine	100021474	63415	222551	Amino Acid	Leucine, Isoleucine and Valine Metabolism	342	NAMED	QRHYCLBYHIKSTA-UHFFFAOYSA-N	CCCC(NC(CC(C)C)C(O)=O)=O	N-butyryl-leucine		14028016				Neg
N-butyryl-isoleucine	100021475	63416	222552	Amino Acid	Leucine, Isoleucine and Valine Metabolism	393	NAMED	ANKPSSPTFFQSKS-UHFFFAOYSA-N	CCCC(NC(C(C)CC)C(O)=O)=O	N-butyryl-isoleucine		16412598				Neg
N-succinyl-leucine	100021476	63413	222545	Amino Acid	Leucine, Isoleucine and Valine Metabolism	344	NAMED	NEOQZHHRAAELEV-UHFFFAOYSA-N	OC(CCC(NC(CC(C)C)C(O)=O)=O)=O	N-succinyl-leucine		2708846			3467259	Neg
N-succinyl-isoleucine	100021477	63414	222548	Amino Acid	Leucine, Isoleucine and Valine Metabolism	395	NAMED	LLXWDSPVRCKBPZ-UHFFFAOYSA-N	OC(CCC(NC(C(C)CC)C(O)=O)=O)=O	N-succinyl-isoleucine		3365403			4153270	Neg
N1,N10-dicoumaroylspermidine	100021504	63856	223469	Xenobiotics	Food Component/Plant	4897	NAMED	QYBCBMVQSCJMSA-VOMDNODZSA-N	O=C(NCCCCNCCCNC(/C=C/C1=CC=C(O)C=C1)=O)/C=C/C2=CC=C(O)C=C2	N1,N10-dicoumaroylspermidine		27471687	HMDB0033469		15270795	Neg
isoursodeoxycholate sulfate (1)	100021647	63602	222926	Lipid	Secondary Bile Acid Metabolism	3529	NAMED	WHMOBEGYTDWMIG-DNMBCGTGSA-N	O[C@@H]1[C@]2([H])[C@@](CC[C@@]3(C)[C@@]2([H])CC[C@]3([H])[C@H](C)CCC(O)=O)([H])[C@@]4(C)CC[C@H](OS(=O)(O)=O)C[C@@]4([H])C1	isoursodeoxycholate sulfate (1)						Neg
chenodeoxycholic acid sulfate (1)	100021650	63607	222931	Lipid	Primary Bile Acid Metabolism	3476	NAMED	WHMOBEGYTDWMIG-BSWAIDMHSA-N	O[C@H]1[C@]2([H])[C@@](CC[C@@]3(C)[C@@]2([H])CC[C@]3([H])[C@H](C)CCC(O)=O)([H])[C@@]4(C)CC[C@@H](OS(=O)(O)=O)C[C@@]4([H])C1	chenodeoxycholic acid sulfate (1)			HMDB0002522		21252308	Neg
val-val-ala	100021656	64508	238515	Peptide	Polypeptide	1149	NAMED	IWADHXDXSQONEL-UHFFFAOYSA-N	O=C(NC(C(C)C)C(NC(C)C(O)=O)=O)C(C(C)C)N	val-val-ala		16576091			18232571	Neg
branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)*	100021666	63615	222957	Partially Characterized Molecules	Partially Characterized Molecules	6453	NAMED	NIFITBVFNGQSNA-SOFGYWHQSA-N	CC(C)CCCC/C=C/C(O)=O	branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)*						Neg
deoxycholic acid 12-sulfate*	100021712	63688	223114	Lipid	Secondary Bile Acid Metabolism	3501	NAMED	GMRIQHBJNVMHJA-LLQZFEROSA-N	O[C@H]1C[C@]2([H])[C@]([C@@]3([H])C[C@H](OS(O)(=O)=O)[C@@]4(C)[C@](CC[C@@]4([C@H](C)CCC(O)=O)[H])([H])[C@]3([H])CC2)(C)CC1	deoxycholic acid 12-sulfate*						Neg
GlcNAc sulfate conjugate of C21H34O2 steroid**	100021726	63699	223153	Partially Characterized Molecules	Partially Characterized Molecules	6458	NAMED			GlcNAc sulfate conjugate of C21H34O2 steroid**						Neg
acetazolamide	100021792	64181	236732	Xenobiotics	Drug - Cardiovascular	5714	NAMED	BZKPWHYZMXOIDC-UHFFFAOYSA-N	CC(Nc1sc(S(=O)(N)=O)nn1)=O	acetazolamide	59-66-5					Neg
2-methoxyhydroquinone sulfate (1)	100021839	64049	233195	Xenobiotics	Benzoate Metabolism	4605	NAMED	LEJCLCZOTCOTQE-UHFFFAOYSA-N	OC1=CC=C(OS(=O)(O)=O)C=C1OC	2-methoxyhydroquinone sulfate (1)						Neg
2-methoxyhydroquinone sulfate (2)	100021840	64050	233196	Xenobiotics	Benzoate Metabolism	4606	NAMED	DQJWAJBJWZYKLK-UHFFFAOYSA-N	OC1=CC=C(OS(=O)(O)=O)C(OC)=C1	2-methoxyhydroquinone sulfate (2)						Neg
flavone derivative C26H28O14 (3)*	100021926	64287	236112	Partially Characterized Molecules	Partially Characterized Molecules	6461	NAMED			flavone derivative C26H28O14 (3)*						Neg
flavone derivative C26H28O14 (4)*	100021927	64288	236126	Partially Characterized Molecules	Partially Characterized Molecules	6462	NAMED			flavone derivative C26H28O14 (4)*						Neg
bilirubin degradation product, C16H18N2O5 (1)**	100022003	64403	237531	Partially Characterized Molecules	Partially Characterized Molecules	6466	NAMED			bilirubin degradation product, C16H18N2O5 (1)**						Neg
bilirubin degradation product, C16H18N2O5 (2)**	100022004	64404	237533	Partially Characterized Molecules	Partially Characterized Molecules	6467	NAMED			bilirubin degradation product, C16H18N2O5 (2)**						Neg
bilirubin degradation product, C17H18N2O4 (2)**	100022006	64407	237539	Partially Characterized Molecules	Partially Characterized Molecules	6469	NAMED			bilirubin degradation product, C17H18N2O4 (2)**						Neg
bilirubin degradation product, C17H18N2O4 (3)**	100022007	64408	237541	Partially Characterized Molecules	Partially Characterized Molecules	6470	NAMED			bilirubin degradation product, C17H18N2O4 (3)**						Neg
bilirubin degradation product, C16H18N2O5 (3)**	100022014	64414	237567	Partially Characterized Molecules	Partially Characterized Molecules	6473	NAMED			bilirubin degradation product, C16H18N2O5 (3)**						Neg
menthol glucuronide	100022475	64873	240049	Xenobiotics	Food Component/Plant	4984	NAMED	CLJGMBYGTHRUNF-PJQJKGEDSA-N	C[C@@H]1CC[C@@H](C(C)C)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)C1	menthol glucuronide	79466-08-3					Neg
X-07765	999907765	46590	146351				UNNAMED			X-07765						Neg
X-11299	999911299	46592	146353				UNNAMED			X-11299						Neg
X-11308	999911308	46390	145473				UNNAMED			X-11308						Neg
X-11381	999911381	46347	145026				UNNAMED			X-11381						Neg
X-11612	999911612	47431	148921				UNNAMED			X-11612						Neg
X-11849	999911849	46607	146369				UNNAMED			X-11849						Neg
X-12007	999912007	46610	146372				UNNAMED			X-12007						Neg
X-12013	999912013	46611	146373				UNNAMED			X-12013						Neg
X-12026	999912026	47905	150050				UNNAMED			X-12026						Neg
X-12027	999912027	47510	149010				UNNAMED			X-12027						Neg
X-12193	999912193	46985	148238				UNNAMED			X-12193						Neg
X-12216	999912216	46613	146375				UNNAMED			X-12216						Neg
X-12306	999912306	47917	150069				UNNAMED			X-12306						Neg
X-12407	999912407	46615	146377				UNNAMED			X-12407						Neg
X-12410	999912410	47921	150074				UNNAMED			X-12410						Neg
X-12411	999912411	46616	146378				UNNAMED			X-12411						Neg
X-12456	999912456	47639	149571				UNNAMED			X-12456						Neg
X-12721	999912721	47934	150092				UNNAMED			X-12721						Neg
X-12726	999912726	47936	150096				UNNAMED			X-12726						Neg
X-12738	999912738	47940	150105				UNNAMED			X-12738						Neg
X-12740	999912740	46627	146567				UNNAMED			X-12740						Neg
X-12813	999912813	47941	150114				UNNAMED			X-12813						Neg
X-12815	999912815	47942	150118				UNNAMED			X-12815						Neg
X-12818	999912818	47943	150120				UNNAMED			X-12818						Neg
X-12821	999912821	47945	150125				UNNAMED			X-12821						Neg
X-12822	999912822	46997	148250				UNNAMED			X-12822						Neg
X-12823	999912823	47946	150126				UNNAMED			X-12823						Neg
X-12828	999912828	47947	150128				UNNAMED			X-12828						Neg
X-12830	999912830	47662	149595				UNNAMED			X-12830						Neg
X-12906	999912906	47955	150146				UNNAMED			X-12906						Neg
X-13007	999913007	47203	148680				UNNAMED			X-13007						Neg
X-13695	999913695	47962	150157				UNNAMED			X-13695						Neg
X-13723	999913723	47965	150161				UNNAMED			X-13723						Neg
X-13728	999913728	46645	146585				UNNAMED			X-13728						Neg
X-13729	999913729	47971	150167				UNNAMED			X-13729						Neg
X-13838	999913838	47974	150170				UNNAMED			X-13838						Neg
X-13844	999913844	47977	150176				UNNAMED			X-13844						Neg
X-13866	999913866	46417	145500				UNNAMED			X-13866						Neg
X-14254	999914254	47223	148700				UNNAMED			X-14254						Neg
X-14263	999914263	47224	148701				UNNAMED			X-14263						Neg
X-14383	999914383	47230	148707				UNNAMED			X-14383						Neg
X-14392	999914392	47233	148710				UNNAMED			X-14392						Neg
X-14416	999914416	47237	148714				UNNAMED			X-14416						Neg
X-14454	999914454	47239	148716				UNNAMED			X-14454						Neg
X-14502	999914502	47247	148724				UNNAMED			X-14502						Neg
X-14556	999914556	47249	148726				UNNAMED			X-14556						Neg
X-14904	999914904	47204	148681				UNNAMED			X-14904						Neg
X-15245	999915245	46661	146603				UNNAMED			X-15245						Neg
X-15486	999915486	46266	144512				UNNAMED			X-15486						Neg
X-15503	999915503	46977	148230				UNNAMED			X-15503						Neg
X-15523	999915523	47985	150186				UNNAMED			X-15523						Neg
X-15608	999915608	47261	148738				UNNAMED			X-15608						Neg
X-15728	999915728	46666	146611				UNNAMED			X-15728						Neg
X-15853	999915853	47266	148743				UNNAMED			X-15853						Neg
X-15854	999915854	47267	148744				UNNAMED			X-15854						Neg
X-15956	999915956	47268	148745				UNNAMED			X-15956						Neg
X-16391	999916391	47277	148754				UNNAMED			X-16391						Neg
X-17009	999917009	47545	149046				UNNAMED			X-17009						Neg
X-17010	999917010	47993	150197				UNNAMED			X-17010						Neg
X-17325	999917325	46672	146618				UNNAMED			X-17325						Neg
X-17348	999917348	46989	148242				UNNAMED			X-17348						Neg
X-17349	999917349	47999	150203				UNNAMED			X-17349						Neg
X-17353	999917353	48003	150207				UNNAMED			X-17353						Neg
X-17361	999917361	48013	150218				UNNAMED			X-17361						Neg
X-17438	999917438	46705	146667				UNNAMED			X-17438						Neg
X-17653	999917653	46707	146670				UNNAMED			X-17653						Neg
X-17655	999917655	48019	150225				UNNAMED			X-17655						Neg
X-17674	999917674	46969	148222				UNNAMED			X-17674						Neg
X-17690	999917690	46710	146674				UNNAMED			X-17690						Neg
X-17692	999917692	47001	148254				UNNAMED			X-17692						Neg
X-17749	999917749	47283	148760				UNNAMED			X-17749						Neg
X-17852	999917852	47298	148775				UNNAMED			X-17852						Neg
X-17855	999917855	47299	148776				UNNAMED			X-17855						Neg
X-17877	999917877	47307	148784				UNNAMED			X-17877						Neg
X-17910	999917910	47316	148793				UNNAMED			X-17910						Neg
X-17919	999917919	47317	148794				UNNAMED			X-17919						Neg
X-17960	999917960	47320	148797				UNNAMED			X-17960						Neg
X-17969	999917969	47323	148800				UNNAMED			X-17969						Neg
X-17978	999917978	47328	148805				UNNAMED			X-17978						Neg
X-17984	999917984	47327	148804				UNNAMED			X-17984						Neg
X-18059	999918059	48039	150245				UNNAMED			X-18059						Neg
X-18167	999918167	47339	148816				UNNAMED			X-18167						Neg
X-18278	999918278	47341	148818				UNNAMED			X-18278						Neg
X-18345	999918345	47342	148819				UNNAMED			X-18345						Neg
X-18349	999918349	47344	148821				UNNAMED			X-18349						Neg
X-18410	999918410	47346	148823				UNNAMED			X-18410						Neg
X-18901	999918901	46690	146640				UNNAMED			X-18901						Neg
X-19197	999919197	47351	148828				UNNAMED			X-19197						Neg
X-19220	999919220	47352	148829				UNNAMED			X-19220						Neg
X-19232	999919232	47353	148830				UNNAMED			X-19232						Neg
X-19299	999919299	47673	149607				UNNAMED			X-19299						Neg
X-19452	999919452	47356	148833				UNNAMED			X-19452						Neg
X-19497	999919497	47675	149609				UNNAMED			X-19497						Neg
X-19746	999919746	47357	148834				UNNAMED			X-19746						Neg
X-19751	999919751	47358	148835				UNNAMED			X-19751						Neg
X-19763	999919763	47359	148836				UNNAMED			X-19763						Neg
X-19917	999919917	47367	148844				UNNAMED			X-19917						Neg
X-19924	999919924	47374	148851				UNNAMED			X-19924						Neg
X-19928	999919928	47377	148854				UNNAMED			X-19928						Neg
X-19929	999919929	47378	148855				UNNAMED			X-19929						Neg
X-19931	999919931	47380	148857				UNNAMED			X-19931						Neg
X-20100	999920100	47197	148675				UNNAMED			X-20100						Neg
X-20172	999920172	47196	148673				UNNAMED			X-20172						Neg
X-20747	999920747	47183	148660				UNNAMED			X-20747						Neg
X-21286	999921286	46295	144528				UNNAMED			X-21286						Neg
X-21410	999921410	46455	145542				UNNAMED			X-21410						Neg
X-21467	999921467	46512	145599				UNNAMED			X-21467						Neg
X-21470	999921470	46515	145602				UNNAMED			X-21470						Neg
X-21471	999921471	46516	145603				UNNAMED			X-21471						Neg
X-21788	999921788	46964	148217				UNNAMED			X-21788						Neg
X-21796	999921796	46972	148225				UNNAMED			X-21796						Neg
X-21803	999921803	46980	148233				UNNAMED			X-21803						Neg
X-21821	999921821	46998	148251				UNNAMED			X-21821						Neg
X-21845	999921845	47022	148275				UNNAMED			X-21845						Neg
X-21959	999921959	47205	148682				UNNAMED			X-21959						Neg
X-22030	999922030	47276	148753				UNNAMED			X-22030						Neg
X-22062	999922062	47308	148785				UNNAMED			X-22062						Neg
X-22085	999922085	47331	148808				UNNAMED			X-22085						Neg
X-22092	999922092	47338	148815				UNNAMED			X-22092						Neg
X-22099	999922099	47345	148822				UNNAMED			X-22099						Neg
X-22142	999922142	47388	148865				UNNAMED			X-22142						Neg
X-22776	999922776	48081	150295				UNNAMED			X-22776						Neg
X-22835	999922835	48186	153110				UNNAMED			X-22835						Neg
X-23048	999923048	48590	154565				UNNAMED			X-23048						Neg
X-23060	999923060	48602	219708				UNNAMED			X-23060						Neg
X-23064	999923064	48606	219716				UNNAMED			X-23064						Neg
X-23115	999923115	48660	154640				UNNAMED			X-23115						Neg
X-23173	999923173	48853	155291				UNNAMED			X-23173						Neg
X-23188	999923188	48882	160436				UNNAMED			X-23188						Neg
X-23201	999923201	48897	160492				UNNAMED			X-23201						Neg
X-23223	999923223	48919	160514				UNNAMED			X-23223						Neg
X-23277	999923277	48973	160568				UNNAMED			X-23277						Neg
X-23278	999923278	48974	160569				UNNAMED			X-23278						Neg
X-23287	999923287	48985	160581				UNNAMED			X-23287						Neg
X-23423	999923423	49283	160917				UNNAMED			X-23423						Neg
X-23429	999923429	49289	160923				UNNAMED			X-23429						Neg
X-23432	999923432	49292	160926				UNNAMED			X-23432						Neg
X-23438	999923438	49298	160932				UNNAMED			X-23438						Neg
X-23450	999923450	49310	160944				UNNAMED			X-23450						Neg
X-23453	999923453	49313	160947				UNNAMED			X-23453						Neg
X-23456	999923456	49316	160950				UNNAMED			X-23456						Neg
X-23467	999923467	49327	160961				UNNAMED			X-23467						Neg
X-23469	999923469	49329	160963				UNNAMED			X-23469						Neg
X-23470	999923470	49330	160964				UNNAMED			X-23470						Neg
X-23475	999923475	49335	160969				UNNAMED			X-23475						Neg
X-23481	999923481	49341	160975				UNNAMED			X-23481						Neg
X-23482	999923482	49342	160976				UNNAMED			X-23482						Neg
X-23507	999923507	49383	161043				UNNAMED			X-23507						Neg
X-23552	999923552	49428	161089				UNNAMED			X-23552						Neg
X-23557	999923557	49433	161094				UNNAMED			X-23557						Neg
X-23600	999923600	49476	161139				UNNAMED			X-23600						Neg
X-23613	999923613	49489	161152				UNNAMED			X-23613						Neg
X-23908	999923908	49816	161750				UNNAMED			X-23908						Neg
X-23919	999923919	49828	161774				UNNAMED			X-23919						Neg
X-23922	999923922	49831	161777				UNNAMED			X-23922						Neg
X-23925	999923925	49834	161780				UNNAMED			X-23925						Neg
X-23941	999923941	49850	161796				UNNAMED			X-23941						Neg
X-23974	999923974	49883	161829				UNNAMED			X-23974						Neg
X-24084	999924084	52113	164057				UNNAMED			X-24084						Neg
X-24137	999924137	52166	164110				UNNAMED			X-24137						Neg
X-24143	999924143	52172	164116				UNNAMED			X-24143						Neg
X-24307	999924307	52502	165212				UNNAMED			X-24307						Neg
X-24359	999924359	52555	165282				UNNAMED			X-24359						Neg
X-24400	999924400	52596	165324				UNNAMED			X-24400						Neg
X-24544	999924544	52865	165711				UNNAMED			X-24544						Neg
X-24545	999924545	52866	165712				UNNAMED			X-24545						Neg
X-24546	999924546	52867	165713				UNNAMED			X-24546						Neg
X-24556	999924556	52877	165723				UNNAMED			X-24556						Neg
X-24590	999924590	52911	165758				UNNAMED			X-24590						Neg
X-24608	999924608	53023	165964				UNNAMED			X-24608						Neg
X-24636	999924636	53064	166451				UNNAMED			X-24636						Neg
X-24658	999924658	53086	166473				UNNAMED			X-24658						Neg
X-24659	999924659	53087	166474				UNNAMED			X-24659						Neg
X-24660	999924660	53088	166475				UNNAMED			X-24660						Neg
X-24669	999924669	53097	166484				UNNAMED			X-24669						Neg
X-24670	999924670	53098	166485				UNNAMED			X-24670						Neg
X-24715	999924715	53143	166530				UNNAMED			X-24715						Neg
X-24762	999924762	54700	180947				UNNAMED			X-24762						Neg
X-24797	999924797	54825	207369				UNNAMED			X-24797						Neg
X-24829	999924829	54857	207743				UNNAMED			X-24829						Neg
X-24837	999924837	54865	207752				UNNAMED			X-24837						Neg
X-24840	999924840	54868	207755				UNNAMED			X-24840						Neg
X-24853	999924853	54881	207768				UNNAMED			X-24853						Neg
X-24854	999924854	54882	207769				UNNAMED			X-24854						Neg
X-24855	999924855	54883	207770				UNNAMED			X-24855						Neg
X-24947	999924947	57714	213216				UNNAMED			X-24947						Neg
X-24977	999924977	57818	213979				UNNAMED			X-24977						Neg
X-24978	999924978	57819	213980				UNNAMED			X-24978						Neg
X-24980	999924980	57821	213996				UNNAMED			X-24980						Neg
X-24988	999924988	57857	214072				UNNAMED			X-24988						Neg
X-24989	999924989	57858	214073				UNNAMED			X-24989						Neg
X-25007	999925007	61529	217784				UNNAMED			X-25007						Neg
X-25010	999925010	61532	217787				UNNAMED			X-25010						Neg
X-25011	999925011	61575	217840				UNNAMED			X-25011						Neg
X-25013	999925013	61577	217842				UNNAMED			X-25013						Neg
X-25027	999925027	61591	217856				UNNAMED			X-25027						Neg
X-25033	999925033	61597	217862				UNNAMED			X-25033						Neg
X-25045	999925045	61609	217874				UNNAMED			X-25045						Neg
X-25053	999925053	61617	217882				UNNAMED			X-25053						Neg
X-25059	999925059	61623	217888				UNNAMED			X-25059						Neg
X-25076	999925076	61640	217905				UNNAMED			X-25076						Neg
X-25091	999925091	61655	217920				UNNAMED			X-25091						Neg
X-25095	999925095	61659	217924				UNNAMED			X-25095						Neg
X-25096	999925096	61660	217925				UNNAMED			X-25096						Neg
X-25107	999925107	61680	217975				UNNAMED			X-25107						Neg
X-25247	999925247	62464	219705				UNNAMED			X-25247						Neg
X-25323	999925323	62616	220117				UNNAMED			X-25323						Neg
X-25326	999925326	62619	220118				UNNAMED			X-25326						Neg
X-25433	999925433	62749	220316				UNNAMED			X-25433						Neg
X-25435	999925435	62751	220318				UNNAMED			X-25435						Neg
X-25475	999925475	62899	220751				UNNAMED			X-25475						Neg
X-25477	999925477	62901	220753				UNNAMED			X-25477						Neg
X-25482	999925482	62906	220758				UNNAMED			X-25482						Neg
X-25485	999925485	62909	220761				UNNAMED			X-25485						Neg
X-25487	999925487	62911	220763				UNNAMED			X-25487						Neg
X-25490	999925490	62914	220766				UNNAMED			X-25490						Neg
X-25495	999925495	62929	220785				UNNAMED			X-25495						Neg
X-25500	999925500	62934	220802				UNNAMED			X-25500						Neg
X-25502	999925502	62936	220804				UNNAMED			X-25502						Neg
X-25503	999925503	62937	220805				UNNAMED			X-25503						Neg
X-25504	999925504	62938	220806				UNNAMED			X-25504						Neg
X-25505	999925505	62939	220807				UNNAMED			X-25505						Neg
X-25506	999925506	62940	220808				UNNAMED			X-25506						Neg
X-25507	999925507	62941	220809				UNNAMED			X-25507						Neg
X-25508	999925508	62942	220810				UNNAMED			X-25508						Neg
X-25509	999925509	62943	220811				UNNAMED			X-25509						Neg
X-25510	999925510	62944	220812				UNNAMED			X-25510						Neg
X-25511	999925511	62945	220813				UNNAMED			X-25511						Neg
X-25518	999925518	62962	220851				UNNAMED			X-25518						Neg
X-25531	999925531	63030	221202				UNNAMED			X-25531						Neg
X-25532	999925532	63031	221203				UNNAMED			X-25532						Neg
X-25533	999925533	63032	221204				UNNAMED			X-25533						Neg
X-25534	999925534	63033	221205				UNNAMED			X-25534						Neg
X-25535	999925535	63034	221206				UNNAMED			X-25535						Neg
X-25536	999925536	63035	221207				UNNAMED			X-25536						Neg
X-25537	999925537	63036	221208				UNNAMED			X-25537						Neg
X-25539	999925539	63041	221607				UNNAMED			X-25539						Neg
X-25555	999925555	63090	221731				UNNAMED			X-25555						Neg
X-25564	999925564	63099	221740				UNNAMED			X-25564						Neg
X-25645	999925645	63321	222332				UNNAMED			X-25645						Neg
X-25666	999925666	63393	222486				UNNAMED			X-25666						Neg
X-25668	999925668	63395	222488				UNNAMED			X-25668						Neg
X-25670	999925670	63439	222611				UNNAMED			X-25670						Neg
X-25676	999925676	63445	222628				UNNAMED			X-25676						Neg
X-25681	999925681	63450	222646				UNNAMED			X-25681						Neg
X-25690	999925690	63459	222655				UNNAMED			X-25690						Neg
X-25698	999925698	63467	222663				UNNAMED			X-25698						Neg
X-25701	999925701	63470	222666				UNNAMED			X-25701						Neg
X-25702	999925702	63471	222667				UNNAMED			X-25702						Neg
X-25706	999925706	63475	222671				UNNAMED			X-25706						Neg
X-25707	999925707	63476	222672				UNNAMED			X-25707						Neg
X-25708	999925708	63477	222673				UNNAMED			X-25708						Neg
X-25709	999925709	63478	222674				UNNAMED			X-25709						Neg
X-25710	999925710	63479	222675				UNNAMED			X-25710						Neg
X-25713	999925713	63482	222678				UNNAMED			X-25713						Neg
X-25716	999925716	63485	222681				UNNAMED			X-25716						Neg
X-25717	999925717	63486	222682				UNNAMED			X-25717						Neg
X-25758	999925758	63527	222723				UNNAMED			X-25758						Neg
X-25779	999925779	63548	222747				UNNAMED			X-25779						Neg
X-25781	999925781	63550	222749				UNNAMED			X-25781						Neg
X-25785	999925785	63555	222770				UNNAMED			X-25785						Neg
X-25837	999925837	63703	223206				UNNAMED			X-25837						Neg
X-25838	999925838	63704	223207				UNNAMED			X-25838						Neg
X-25940	999925940	63891	223698				UNNAMED			X-25940						Neg
X-25941	999925941	63892	223699				UNNAMED			X-25941						Neg
X-25942	999925942	63893	223700				UNNAMED			X-25942						Neg
X-25943	999925943	63894	223701				UNNAMED			X-25943						Neg
X-25944	999925944	63895	223702				UNNAMED			X-25944						Neg
X-25945	999925945	63896	223703				UNNAMED			X-25945						Neg
X-25946	999925946	63897	223704				UNNAMED			X-25946						Neg
X-25947	999925947	63898	223705				UNNAMED			X-25947						Neg
X-26054	999926054	64267	235788				UNNAMED			X-26054						Neg
X-26092	999926092	64367	237397				UNNAMED			X-26092						Neg
X-26093	999926093	64368	237398				UNNAMED			X-26093						Neg
X-26094	999926094	64369	237399				UNNAMED			X-26094						Neg
X-26099	999926099	64374	237447				UNNAMED			X-26099						Neg
X-26101	999926101	64376	237449				UNNAMED			X-26101						Neg
X-26103	999926103	64378	237451				UNNAMED			X-26103						Neg
X-26127	999926127	64650	239306				UNNAMED			X-26127						Neg
X-26157	999926157	64794	239606				UNNAMED			X-26157						Neg
X-26162	999926162	64799	239628				UNNAMED			X-26162						Neg
X-26221	999926221	64951	240320				UNNAMED			X-26221						Neg
X-26223	999926223	64953	240322				UNNAMED			X-26223						Neg
X-26248	999926248	65012	240609				UNNAMED			X-26248						Neg
X-26252	999926252	65016	240613				UNNAMED			X-26252						Neg
X-26253	999926253	65017	240614				UNNAMED			X-26253						Neg
X-26254	999926254	65018	240615				UNNAMED			X-26254						Neg
X-26265	999926265	65029	240631				UNNAMED			X-26265						Neg
X-26267	999926267	65031	240633				UNNAMED			X-26267						Neg
X-26268	999926268	65032	240634				UNNAMED			X-26268						Neg
X-26269	999926269	65033	240635				UNNAMED			X-26269						Neg
X-26271	999926271	65036	240649				UNNAMED			X-26271						Neg
METABOLITES_END
#END