#METABOLOMICS WORKBENCH mozcam_20250511_185444 DATATRACK_ID:5904 STUDY_ID:ST003917 ANALYSIS_ID:AN006433 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        	HILIC (LC/MS Polar Neg)
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	Waters Acquity BEH Amide (150 x 2.1mm, 1.7um)
CH:SOLVENT_A                     	15% water/5% methanol/80% acetonitrile; 10 mM ammonium formate, (effective pH
CH:SOLVENT_A                     	10.16 with NH4OH)
CH:SOLVENT_B                     	50% water/50% acetonitrile; 10 mM ammonium formate, (effective pH 10.60 with
CH:SOLVENT_B                     	NH4OH)
CH:FLOW_GRADIENT                 	Linear gradient from 5% B to 50% B in 3.5 minutes, then linear gradient from 50%
CH:FLOW_GRADIENT                 	B to 95% B in 2 minutes.
CH:FLOW_RATE                     	0.50 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 Polar)
#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
mevalonate	998639	767266	1919606	1639225	318288	203322	7062537	6870619	15831235	14243760	1252217	9605906	5018607	12769476	12195123	2620292	2145277	3467191	11430941	15760886	2725618	327462	616034	3091221	1740407	811412	12857109	1304316	4609408	5819492	572714	277433	1341222	702195	9043023	1812103	941838	313688	890836	1821077	8926901	11657919	589268	2340961	14818450	4933218	7580304	8759593	11587716	1002371	369972	2304699	292184	2373503	245874	1079153	348991	4360724	874859	975366	8307378	4576665	8191257	404291	1058067	681945	816884	570605	4759093	2062701	6380797	1641156	42408488	5500893	7974235	7304644	3332361	4250742	894741	5217614	4670721	295259	580559	1294722	2745332	2942329	4304160	3635695	28760541	2062701	7170731	704946	368885	3545316	8679034	8046225	36932847	9210877	14502107	2142371	17727383	8027555	7403237	4481949	1565754	9038639	1983369	5552431	2130658	19010955	2927384	2321851	6079024	360479	7259312	10854473	5208914	1167245	132346	9151933	3546137	4298212	2354724	1445257	5884648	9612704	3529789	4752501	9653367	8222216	6924440	4083405	734906	7338641	733013	9758530	6096460	3712028	2060286	15667067	11734729	659166	8826934	2208941	2629648	7932650		113700384	6742301	5908683	9787043	7561384	6937964	2594041	2640599	2665097	412470	2803976	3605463	15242416	21817949	5837524	540201	11990734	8727908	1553113	1984905	2559796	19938318	735313	6954174	3612570	1688280	3503906	5774742	3610729	9280434
alpha-ketoglutarate	2356875	2220982	2693368	6922752	5507882	2398382	4013993	4606100	10562874	20702640	5333481	1344456	6815166	11890428	7364373	12745337	6248678	18857726	13540903	4018106	4609341	4264645	2742883	10407928	1375430	9129003	32300573	3148180	5805090	25562796	11615744	1542677	15618751	2639448	7247894	13603454	4261957	13245667	9474392	20026025	68690020	19109169	9602725	16068228	15867057	34219612	34239025	48637584	23004456	34892386	19375755	9961338	9746314	18000890	6161475	35802196	9982050	29444152	18565255	34241163	10526119	24817111	45123023	14667335	31972156	18812363	19789264	30808163	31033456	7681688	14317316	9143816	28505864	11174295	15014614	13804793	24004896	21536635	3751986	16611393	21927862	41215855	41193018	31838221	14289264	18148725	10804253	4881463	14283935	21515704	23214967	18031433	18952170	36352319	7510904	19320496	8270761	12788609	29190360	20205285	27803289	11292902	10531957	6091104	10579871	18305817	13309827	14868917	13708909	8468969	15232955	14681124	2415475	2893285	22212675	18224398	8774200	13206929	6296212	29294634	7729602	12590126	10793838	26055895	3526339	4814606	9791854	17670406	9474478	16276011	14182878	13266127	12691316	12155119	6227233	18999606	5967432	16654516	17911362	15555238	7687840	2853599	16284456	21547503	2672756	26810996	2696681	6866730	5683082	16008351	16732444	12618535	6178870	9607808	14169526	12606658	5895040	13993810	4399860	22951914	50900648	9995952	8759357	42624913	12110700	12142579	13029283	20057080	12778087	9508976	14314052	5966824	5102918	13313963	5124963	26376332	21150247
3-hydroxyisobutyrate				273190					2588348	5131522		1194929			250639				1851801	638269	986923			1658929			2032088	1372568	1187363	3430632					2969070				474612			220827	313892		605106	337967	456109	323016	1870875											273892		701712	223416									3060564	2503635			2516319		1358437			138192							1105998	1743732						4422874	706459		1966238	475938	3124626	3642616	1413246	2793256			5641894		970638		390437			1436739		273090	3947826						359944			1500939	2437783	673433	1246542	1597793			3559346	763118	4137509	462538	4792126	1926590			711510	2287641		1038095					1945744	1906931	1068499	347816		2608243		1006733	1145586			1813566	638609	7463381							569055	2301206	182069	3503693				280641		677687
3-hydroxy-3-methylglutarate	4718578	3578837	6101576	15318680	8884035	15333353	10069008	35833185	33107131	297054779	47213930	79254875	26189327	15031119	14888740	5863457	29907362	6101631	12880974	12707946	60835237	4215062	28862357	17467514	12856975	10638747	43142733	4760212	28331666	46504015	11552952	10563942	10188856	7477292	86898958	16060227	4557389	6369968	7728423	26664810	37866675	17019856	5353184	19865620	67967292	14907788	26741623	13060412	37111049	13172023	4492016	94735208	235719974	16527412		26857207	16091002	32671253	13065923	15479743	7040942	38818784	77693416	4896535	29158797	7629903	18420500	12556346	20073979	6460899	35638249	6516000	21645681	7914329	10272194	186693080	13520463	97782062	3778966	12146763	17269553	23836382	7982947	30211681	14368226	13968861	16506909	61853037	79216810	31913089	45571743	14704544	7831372	50183691	145461962	63689433	55101453	156546738	53004457	11522789	131122747	8178436	27874013	11850259	15706029	55178027	17443460	12646357	9183039	31342366	13496319	16034395	150921022	3621320	18029910	56969442	24823206		4955323	15233108	70245275	21133379	40506771	24023302	33698676	33735579	60254323	5113417	58211157	36134368	33795644	34443703	15624164	7543222	7749162	29130884	12880695	48841218	12207960	9844644	39673062	29140239	70160390	18504632	38218789	21215744	8712710	46276787	6898120	15957418	255378861	122118652	12051650	5513622	7852160	32923218	5254076	17480521	2063048	75519568	166847746	16540125	13837364	64151486	11728944	11348368	21215795	11418225	39572499	15541930	16993950	14607840	8793521	4179069	24999824	3102564	11658126
3-hydroxyphenylacetate	183337		357975	775419			789127	3120191	756709	4263629	3354781		2012943	1384012	7654878	2489644	2269818	1200158	863998	111041	370413		481042	1830662	1041599	958235	2874368	307466	392310	2476965	834644		448678	748283	804355					4413138	2923664	10715686	1779497	4512676	521275	1652244	1079850	2902416	1664309		161718	161031	854611	1713579	2373578	2191459	1015548	2201597	832075	1351709	2016956	15115788	5790714	839299	4605284		2620170		2593264	1787269		207085	3706550	1128393	1475063	2285922	1233385	2902947	589986	1402686	1797846	2193594	3711143	2416382	2617190	863578	255121	360471	503326	1799333	1557186	951407	888690	5174309	373092	857635			3515946	351175			230727	1487083	1248804	1584855	3828094	1749946	1094565	1433926	4595423			644065	3480301	453474	2031396	519739	1185013		552182	741707	2773536	1712201		281221		174032	45775748	4467593	2088572							6476502	945566	3558886	1133757	4752599	702301		1432770	3549379	566971	272463	520710	3347998	1247823	3026078	2269121	1925568	969064	2234465		2585874	342603	3396456	1657796	1297430	1588645	5107401	2528000	1550367	2197343	439390		691506	6560376	3063291	1071056	2810835	2560447	509907	1697690
quinolinate	145998	191741	186782				437322	247800	342549	159995	213146	595240	398763	491931	269012	1125067	857787	196358	735529	244599	685261			473354	176908	916287	374093	337109	560137	588414	179539		962604	165626	753118	744270	225433		380729	1428843	1835103	1283908	319336	1276619	566294	171566	1107144	1148763	696997	289374	385313	441310	443031	2091858	449650			686197	773167	99880	753671	623036	719080		152858	145718	236773		597679	300740	376623	158692	572534	225102	282926	634007	650793	2399621		703026	747864	337172	487874	98297		437341	1137376	1825264	543118		1635087			391279	2388509	716556	1425032	388626	616726	1119298	1560170	232324	248512	536158		445033	131966	180410	453159	157383	636191	203056	656061		424611	376383	440567	830024		78093	218324	371236	152007	500345	567398	453283	506161	295856	336909	884727	761676	216098	1046374	326843	364752	3334513		742459	321332	449345	392851	315994	456001	829288	632384	313633		92204	159927	147749	800611	1380644	914649	532560	2142748	118000	243839	379294	148249	1028681	744706	1659074	71573	374671	187755	1036403	1241958	880350	981545	1469299	670585	189249	184809		325401		588229
phenylpyruvate	818089	1020394	1455332	961010	1809528		572867	467309	1975894	5106428	612902		2070717	2301601	1471590	1537700	622298	4473511	3297866	906001	1661276	1089529	694897	2144230		1058733	2061796	379742		2029535	2550554		2687217	1422481	2160579	2317152	2011494	1886726	2440582	2006651	5876822	2849394	2544063	1876663	2520310	2934708	2330251	5437159	1726956	6110647	2572892	1985813	2667593	3922526	2225583	3906827	1050831	5614340	2771703	1938433	1968914	2666612	3288441	1909437	3543892	527616	1476662	3913038	8667366	2466114	2921813	5110600	5264626	3734807	3311209	4739111	4825359	3268148	1102626	3861499	5308675	4109020	3340797	4159882	1006479	1455372	416197	500239	2922513	3416290	3749005	3225979	3182743	4313801	1295146	3096733	1464634	676105	4593058	4522610	5678605	5830194	2771606	2000903	1411818	2291033	1813609	1332737	2748175	2124782	4715936	2318218		1179278	3321118	5378502	2273235	2856197	2870447	5288779	2908206	2520197	1482643	3412301		949906	1553438	4013089	1995777	3605488	3941017	2952026	1319289	2012990	1038591	3192137	2171881	2873507	3023688	2252747	997213	341810	1163098	4481017		1947052		1151614	1315440	2042837	3439877	1625443	1600576	2984033	2346169	4734830	700866	1931394	1525838	1974853	2017465	1912787	2033937	2774080	3329171	2781953	4047171	1722434	2711319	1992168	1985657	2140551	1777235	2943990	1511759	3556387	5028914
carnosine				199651		91351	406300			1402114			1113925	496378	269568	1676095	70389	730176	152383	145832	2599720			111233		188549	430826	154253		1354185	269044	2787815	1647560		624114	370106	115073	96358	1189907		393277	186006	120205	142722	4935659		808276	116415	2667903				196912	557520		258582	157078	381931	418562	402440				312835	136659	119743			119230	244269		169081	142003	2794683	319929	720241	332966	4462218		747779	954879	995727		176428	835281	624134	2153956	2827630		5350215	364781			2031654	607658	2066640			2944175		252553	155055	1533782	378420	154944	3870794			3816609	273415	4498371	1471632	2747618	97005	435326	438081	689343	1050432		447797	222193	83023	2700676	892148	380577	335232	686493	175445	13905661	673335	378359		2106866		2733310	7145604		6248369	229344	1338665	372363		459073	882354	229102	1073696	436634	282130	158905	35124	5729162	1503893	3351788	8869649	2793144	253523	1896812	333083	555807	8081999	2101217	1118297	842432	518970	427765	217184	1190602	1891397	150236	368506		293929	459845	1381706	1501660	289718	86680
succinate	61206492	59900231	74956514	191084822	84277170	207978322	254897568	274654732	372433828	1549252214	304400554	11146088732	179042914	251763931	1754597496	385180778	125352229	194342465	5469020073	3270808273	219806129	64429711	83665362	122473802	388015132	301231450	2555432642	678005684	4286998795	975599019	844418485	252435417	848283667	209738940	8731535118	1677857060	27412578	123210575	135091985	328859661	267332998	360034913	66863686	437880765	4493331561	601212479	1960157482	436499354	3058273696	301548489	164161304	125622121	294633227	256969381	20619214	405875610	137973877	124045169	151051438	649498287	98635645	833880957	2617678496	103830418	445040710	206736060	767044237	186955351	428244285	2105356022	2663980868	65968457	352696107	2197285942	2429789353	2774508479	502339425	2130462770	49689283	291613847	258162519	461799374	340632713	466065126	336206107	423129881	111298756	309744067	2859837189	1056403205	133859481	244687774	268967047	481865570	479452028	140945880	5321816471	110259695	2022506575	163881164	330541731	140581828	2834291214	362196674	142707840	5570433073	206821391	6880636347	378948398	4811982954	174640289	542229200	3202915927	119484869	937702097	1989111197	145472570	178453586	180096391	228579877	232989935	381974511	699763610	362302173	243120087	3179214157	1161071048	144632003	5117816438	603165290	377194181	134347489	390715221	192350709	117441551	367501978	88628580	4224280536	653703610	326006978	979942035	196746275	15048099615	237779961	423338301	1811827913	362873377	6393749557	3450455045	3538488350	2147746308	297883231	69018295	1159946595	313505187	493919885	256830497	401895059	165380220	443965439	3119714101	402051557	171022446	984993956	193993981	486327788	453192040	337572018	6781727050	320537900	787756717	2913792931	137572531	176913340	139494992	181836207	1975074621
3-hydroxybutyrate (BHBA)	980813	1411759	314778	7489992	14603487	371929	328164		5818296	861522	6092226	12805606	482026	1485801	1113029	367866	398487	743386	1002180	2450149	1836030	857940	337569	406323	487368	764949	18162982	253712	1381169	21071394	692327	730301	600711	2457157	12368844	2314119	396898	582640	280291	345315		1240612	2976723	1333103	1266992	4897444	14197451	1293028	8868760	2646602	44405301	834059	2070396	3624130	1555497	626500	1830692	4158071	349615	8078024		1286811	1550065	491852	1056696	1218882	1819343		6501416	6440542	813128	5190713	3036053	1521760	990653	4517350	1009449	23891960	481779	438042	527741	286651	3406445	3289984	1779268		2106954	2912973	8164413		7244160	729858	658689	729056	23612370	11075197	5888697	10400324	4843757	25191915	3856946	663156	31866549		1026119	13687786	2176319	2247515	5446513	424138	2982975	1049043	16543662	420326	1857068	25004955	1709351	2285370	338775	570914	1085096	2017762	1338846		2335816	8833060	8471076	3823513	18798698	273076	4958777	606164	419208	25235625	668418	3009685	2746183	1085458	2409590	2430017	7313127	2526287	3521328	899578	24250998	10435738	377562	26488586	15929253	6314164	2056086	464835	60333863	592205	883586	1019880	2462421	1960187	464746	2030231	29825482	578355	566246	1766868	1971885			2035788	260743	644068	565433	30671855	1538606	1103630	1271694		1198005
glucosamine-6-phosphate								208464				1502050													967937	192989														393250																				16039710																																	125363															838102					510803																													886045																		263198	469809																
glucose 6-phosphate								226696			241310	6332827													2183698	193954														587987																				67245662						77222																			141022								78697		115347			89673										205847					549409												66861																	1126950	88911					89191												61964	193645																
fumarate	40819567	100673775	52824298	64467169	75819029	88516297	66048340	35730478	5126562	6527026	61183366	46200907	29124873	56436510	22934958	98376980	54145819	101569935	60313059	65624034	83845195	7255730	7875829	29804504	70407506	55915355	19667532	121616767	63084759	171246481	14317994	51156074	14489616	25528038	39208627	91320222	15829118	92350406	46231507	69584110	65233967	14915501	94372848	163412204	34412438	56817595	15728962	50718035	11771728	28876426	62115852	11535097	16606106	38903123	34293210	31222571	14251029	36247782	57995624	55013230	30937680	17482702	23825034	105028449	58397052	137784441	50115699	33526909	54076442	100439770	50623866	48588600	46883345	40344354	64081037	6282127	54444410	43801101	101716261	50576000	45253772	25118556	60491775	52771841	71592340	64310186	58960472	59725615	35701923	21267164	68135340	102089340	60913217	64912958	21589522	24577918	19755260	769327	120028877	71991295	29815908	16420479	30660534	19612340	61196336	26792275	68246631	24174165	107799058	42596175	13643276	92415404	39648577	75414436	41139053	38590985	31918612	100955738	21754705	32463710	58786136	34227500	56257159	79949817	54302786	88171029	105332020	32837875	18337696	10267480	75477171	17353353	58277244	21717353	121943920	9366089	18862341	84202364	130153432	29895518	9942678	48435095	41908470	8891618	114623252	32521239	51149888	56742319	132975320	141070934	61864084	55819020	12515342	37336693	29820353	5462424	94929129	84612900	18226808	62053757	68299265	50368481	77337728	73955110	21256663	99297796	17254225	2356568	7334590	53389134	94468201	60086015	52199193	45897938	83643621	133132258	19386702
gluconate	373605	1034644	219754	2714151	1674024	1880941	4664894	2387400	3300853	64518331	11043240	71634709	699095	2941811	4623076	1031856	2494323	868200	4044295	959905	592566	1438380	602988	420320	799133	404002	5985628	7786683	10041977	2851018	1403125	2076481	548999	374272	3302982	798885	425582	362460	823866	2605096	1002467	1908858	659504	1106667	11176601	7166143	2918444	67271342	9381963	756738	2488815	1520272	377632	987420		1041726	4285422	2897337		62480415	262817	72510177	5612881	874457	12110222	3329298	1945320	1346402	3667660	1862557	1195290	2016159	4346227	6304280	395861	1208785	398382	2866855	378419	1276318	1019190	973085	3753352	11185251	4425598	5723395	10751794	6965181	11355605	1342884	9812624	1150502	3151029	1380960	34840580	2056085	9313733	106431972	5910895	746134	7014809	353740	1318879	747120	10174140	1805876	1688934	5362607	1332973	960660	745718	2419986	23632232	318832	1436998	1667740	1482077	1804029	164004	698474	999209	2094114	2993879	5023162	8330817	9550234	38874713	1331032	6269434	494954	979817	924528	4980312	3265824	2184448	2825883	1471568	2912137	2177610	778713	8935790	6753074	117706481	1333640	3312798	11057469	1579203	47397113	2223988		16981000	1981191	1813828	670573	1484539	542395	17305014	5965049	784230	22122593	11744806	4083595	287570	2331928	2894642	3731856	953296	947408	4639710	4423635	2367096	2700916	728373	255400	15005502	4686051	1048408
glutarate (C5-DC)	32569894	28582491	38840576	59024011	34606765	14457675	110908836	109812534	3059427	18705587	82602963	8023776	37179952	54313042	92786987	73186264	44549969	22247102	28104515	11351773	47067037	44054409	36169744	33439600	43574579	104920880	42773437	54937646	31315958	61507288	117859564	23031041	70608143	77038808	19451894	90151488	20735910	37911228	63497679	60537453	44268407	35375350	37889437	58822217	26796212	55196644	115156359	29416387	57142652	91699734	121552347	45320610	54244894	86600383	80148034	70388718	55088839	51838038	106346534	76283413	74776424	97495726	113299292	46487642	92175641	30729356	143379357	71559404	138637434	50895215	48526170	4898814	26536915	52226378	126971692	15093466	57578639	22925940	33583076	38533483	42767490	85332041	63573714	67434880	110376652	78112392	27553741	24599764	14863332	39726883	38525409	101677145	101109572	72558453	13730312	11510922	50970087	5603943	33157588	107471751	12156951	26850801	13989494	60711719	95501046	44414486	199318012	148441019	67568373	41482789	30311334	92326394	13034305	75457650	99470901	45097269	88504229	48311137	207616683	46901254	44794626	29063985	93136995	78349844	13386364	34901328	42588014	39629277	51039605	94079767	43724963	36274175	17569303	18592732	13273528	37627753	21383629	36294698	19085312	47009986	28700529	103404512	27148587	24604541	52460939	100743432	58265410	11091406	39205804	23608694	106083372	68327224	42174815	35112277	45196116	39767956	14166920	66917266	32050899	160090303	72077711	61845254	112171022	136269073	51579932	145326725	102991882	23072279	20766755	32385930	18839015	54846636	91481470	41570061	74533876	46417469	43697891
myo-inositol	426904	588588	290382	1482162	936673	880081	1842541	2884831	8768589	4666520	2806775	9576093	1982292	6265272	15679161	620359	4099335	4786508	1275857	725997	597639	7297752	2311005	2646817	475330	330465	6757659	332621	866129	2617150	1819461	757003	5444942	2507602	5148246	2068170	267451	428267	306566	418856	886742	803241		505820	2282977	1136327	2635617	302461	2760768	392841	522208	639649	2987647	373748	236459	1563815	1103241	501437	234089	12909547	439036	3132690	2191385	1185802	4185762	1177203	3803950	781168	1991195	494461	4409633	1635358	4403290	261574	430143	2557974	1006661	425304	295066	549549	464936		571867	691405	1022786	934246	349743	2969150	808420	680561		314645	555506	500428	2647777	983038	1034182	102250541	759165	322389	7234994	270928	862338		519984	416968	1128572	678006	456386	1290083	889171		4005672		2210480	1470154		867230	3515506	392291	1210738	410864	848713	1404577	1095049	714209	2506832	496652	319516	951455	1684586	2016872	360241	13392125		970056	5792572	3595574	1032279	979074	632864	581076	2768206	356729	612052	2574447	588990	5637683	529375	826468	3391171	1669904	262372		253421	478777	862501	10823614	2128796	1627577	2344944	1213006	329917	2978538	2159157	303386	1023004	3404210	593694	832336	413367	605228		670014	279105	679694	1216026
2-aminoadipate	387136	542819	1867697	592393	1927400	639370	229810	297813	336146	437997	106990	186692	358569	445707	1317945	440538	684774	349277	712127	376575	1434621	1506303	1265196	459404	387432	368397	475624	1555415	419378	450610	1283679	237982	936644	512855	402432	459970	404373	1025486	715448	441793		484986	586102	512783	353941		236262	835846	136974	1114558	428786	472531	370032	994492	725831	813489	707848	644044	1385180	1031810	461680	318910	309020	1486672	481156	1905000	351062	1024113	941897	604345	514614	256018	808535	461551	415686	883247	773555	391310	617250	769627	803927	891681	452503	291146	332397	1554214	632209	714204	370979	1094841	365591	745678	548132	451201	242292	281504	172660	271307	533044	370116	446720	290303	282989	664795	711634	959427	444819		215175	257695	502066	886049	195212	1285303	661030	276888	590178	1014021		392661	251646	366412	1999861	785787	672422	690850	886924	2825729	387718	292757	266365	722525	1120924	245931	451711	655671	442576	375819	505807	389308	552823	409813	366832	337846	242819	191619	920402	109951	294000	175748	401324	691213	374962	937209	485505	200062	324228	393660	982477	483322	187134	418592	422270	283909	269726	988003	747063	1634612	314111	1950646	437243	348204	235272	414928	658015	1353034	709711
orotate	25943609	23812324	30330180	43709561	31311145	51647750	15118495	113269310	55263844	20223144	117745394	13272218	90080799	30023005	25734709	98136324	23666186	80179440	30151967	11800366	73361614	5345754	6292302	11449537	277633931	285744674	43855585	61084448	27440981	65898369	200720829	109491975	60414817	165543786	12449189	115554989	4404001	107880283	23774115	115278898	23054276	8122804	31010619	99496977	5507739	72655331	35184787	19786450	5687664	41218302	62738835	85687800	156624732	81894173	12189599	302188573	94982468	37478322	19605530	45806006	43995489	40873011	40966804	40235897	121281172	184869483	123548233	30936744	336024660	15297953	7188399	15067420	10260745	33010118	8986495	10412365	13279895	17613526	6488674	8644209	9785757	26574880	31261734	133637094	121260029	114090064	16822199	22978481	29278125	18801886	83285837	110716116	41949290	195780657	37410780	53538982	25154212	7791260	65219181	42936725	70510514	8003791	112938283	18944575	108650235	13715828	62504013	9339652	49746968	9850688	15569865	152524953	105030468	22116332	43183258	41573271	52007958	8994681	3125076	7223802	150932656	222324409	340045466	30113765	87131095	8469914	92327126	49317621	28523456	17141949	16644085	14452927	48174924	25390424	24634987	46319321	45326924	38780319	44338292	42313018	12744748	98028706	15399310	10195372	21485217	12987948	76390384	22257474	23803187	82418295	113595757	42368223	50265345	10331212	16226954	13336651	98067921	49316590	19053229	58028903	68641443	34269994	96766214	230227192	29990424	25754768	14227541	272614688	4639176	5549147	12926881	16258212	9286727	32916427	16563260	3361929	77496083
lactate	1078001	2527684	4180848	12610378	7761556	2517730	6641205	4343827	21101706	10614438	8404396	86011916	8465416	9535286	1590043448	10252098	4859246	22093639	43346875	5126972	4848573	5048935	18637116	5491458	7502738	12818470	23596276	4403677	5829261	14845227	17155423	10817653	37628426	100802348	26595017	56142155	3066623	4476383	11666834	4862039	13035689	4477770	15449873	6430158	2025777	11186246	30323308	16103693	80616787	10853331	2894538	3594734	5713131	10818791	2361175	5412756	4072425	6679683	2609799	62951370	2718777	24237153	3249235	3613709	1538638	4024817	10842100	10953627	20397253	5963184	3669509	85574851	104612744	6782702	12419688	4650732	6283313	28674873	1866286	16598668	20129792	3573447	4502602	6202155	10987429	16471381	7373566	9901355	11130761	6187383	7470785	15000779	7225699	5810298	11775011	9406482	4252096	65635556	44451111	16660198	20941694	9810280	79971205	9564187	4509509	289276972	7875351	115693690	20917163	11581254	23054142	8892472	915762092	14725052	6836815	39097434	7407088	4730321	11625923	9026431	9227254	19833931	7132030	12424849	11332513	21178694	279137802	30017519	10197490	3597787	7093665	12517864	9303246	36646846	11196466	14846009	8270027	19025502	9935176	13065915	13541933	15018646	35281241	3850278	72282003	27701715	5682810	193675746	16753154	40433307	37255969	8451394	35221225	3881206	4921331	3472008	11866167	13070459	5169351	7748057	49497135	5885227	3822327	10718050	4858833	5250313	11630185	4430175	2937269	7316503	8476046	6699420	5878811	3429771	6935126	6327141	18880344
salicylate	218275	425180		431609	313943		544394	803558	4862550	544199	1541390	1752049	1941017	9620196	868264	380099	2704723	642883	592608	1842841	886621	7230503	623103	3158675		340501	1927202	1209329	966379	679478	533003		391791	687302	1342999		443175		281918	927679	912201	1720911	414416	702370	1584023	679703	2256603	2204418	2898676	411245	448188	1650689	689555	645325	942235	740193	962288	1428563	179550	3978573	879665	2051151	2658143	541438	3615632	438939	1004482	311951	2308160	1355341	417490	4871696	1279472	606931	1017958	912339		3646299	135578	2069248	2986785		250112	1757600	1277788	529715		1553973	5542089	1790730	399864	350346	523335	1269917	1043533	2060051	511786	891987	3575133	969025	24373301	425353	4971894	1728209	1363622	3498931	1570941	246539		594107	2537282	372826	4843084		687598	3491232	954851	359886	806881	646511	1186259	738994	467150	870862	1591698	2509309	816744		1059055	391575	3709278	758264	949139	18157270	296092	1916411	11226761	744802	424337	1853824	1005779	876526	1055942	1309452	5154198	1336413	653663	1253825	685587	4077227	5639030	376269	4102433	327261	190792	241189		605445	513374	499335	4283133	456691	283640	709943	1539084	250141	963017	1895505	252807	623212	866341	491035	790296	817929	838167	429608	282579
glucose	433155071	862746467	40638979	206142884	51349645	324916415	566622340	219175480	554494667	296625387	412244051	1614304820	559464438	592225644	3977264705	211154452	276225553	566678950	1056333513	975000369	496026550	110728353	51023381	139626222	67138050	77855283	529773381	890006179	677216471	387591404	54014213	738096220	70689048	102667586	911896670	181726379	106765474	50271204	631422810	286801660	233063451	210993874	745404908	172129408	1022375048	448477229	545669151	535668381	1112114355	62119289	61854235	405251915	87800578	129143995	19859918	161551666	228958248	155064731	54700277	3681517421	46774052	2595268949	860423825	54453901	887215421	106908716	286571279	69890407	134833160	632928242	180055493	285962285	1019566614	681736063	110699326	586802301	139875932	757658215	96641213	537735217	784218830	65829076	250862295	398057471	312980183	397786978	437773563	511727743	1065385649	295839788	716287451	156630316	435598156	151842487	1200816454	984070602	1253349751	277197772	445223662	141700856	1294356705	188153593	1208210962	637203456	136254682	340174416	142070395	1217604741	448218127	631257582	772003064	70984104	1318840166	32422373	360255184	1206003173	1583514056	45701189	105866783	130719544	188772849	217828650	144250464	121506016	267977218	1391489053	759137001	354071771	568069364	93803918	239347533	286485377	498291628	2619088845	159615182	800317718	369283695	560247546	324028369	305309658	699421295	166176731	784529825	84665866	871854826	870863678	71278976	1543729211	548193270	666396097	505773891	111501296	806407765	792426592	105321730	158214565	85444277	494622022	89233795	152322720	787019044	525108501	44942286	573170030	231133159	806502580	78563953	465048464	833267763	385839634	512185976	321844049	176225198	301231060	779107743	809023254	917808916
mannose	1837963	5258375	1305949	3426241	1188692	2225842	2527085	7339346	11826463	3641187	7214263	6109516	6543224	21107276	13524725	1242951	4197457	2906622	3557475	4646210	8305789	6870306	2100154	3307244	2070761	2541584	9242915	1874718	4330460	5132667	578885	5292682	854597	1754822	4623881	3272775	1477887	1109277	6635445	2316101	7806847	3254323	2642759	3418476	12204655	5994346	16810858	3171613	16047166	891756	3682137	1445552	1930469	5411317	598645	4882140	3693810	2330297	934333	95714027	732406	6533137	4454532	2697383	63836077	3087611	2920998	1421404	5147790	3755622	5795596	951035	2125864	8093121	1718005	5496956	1225711	11426538	386134	3690544	2578216	748149	2954779	4248017	7017750	7306280	2623213	7065665	3289879	1476634	3693324	2041964	4667280	2712710	8654447	6952640	3793654	2416864	6354422	2654976	12145808	1443629	2401289	1127607	3045712	2695701	4375875	14546916	4637337	3259734	1455025	6926788	38974941	818302	3752925	6045135	3903226	1998733	1251374	878076	6015091	2611994	2852166	7157597	6912388	6578001	19751354	1078330	2490993	1316807	3094262	9546373	7135200	5243319	887574	3333053	30049696	7385662	3066547	9577549	1930073	4561065	10479963	2191495	3783183	13291529	2708721	9807895	1766268	1555330	11068198	2057425	1672472	2020315	1484971	1199074	2437596	61868829	735876	3524060	36499730	25786812	841953	7411540	3529966	2966360	2105358	3584664	2799562	1736493	3295198	3046066	3808389	3547184	5120449	1378200	4364943
malonate	3061988	3729532	4286907	6743255	5393107	11454462	21428311	17167235	210089310	382487369	54569134	74393967	6296918	10272659	58053821	11737043	8990237	8371742	230231986	68137130	5881886	3929911	4757275	10450939	10740579	19456774	144231312	88650525	353720307	396501548	38428281	5693867	189258513	4147356	250556611	164604955	3098723	2562088	3029240	19227150	68731652	18168809	92885560	15992077	162863307	37821819	131481103	267174151	95673450	37529109	12504730	9682962	5159273	13059107	4180397	9849902	6791421	35282858	58802762	24470989	44863142	315264419	411411993	3838544	12607265	4158869	11295799	5259481	8563963	195730976	313537223	85822123	59922963	258123928	227154562	89961920	123505740	46098416	6308264	114725112	103304054	29192175	61570509	110319402	10504093	8604884	6638637	18689828	73135540	54559133	4539357	8342122	6729217	23824351	21504715	19058289	514766353	288700814	282910796	170971904	57262783	29581832	61996264	185714857	7768474	198859974	6919138	469947499	82349616	70381478	25724869	11690289	70380184	3171593	202720304	212550938	18061683	7371994	10222650	226833280	9584436	8915642	11729732	13735432	66614641	36023961	32393838	4387104	282977046	388638201	365889673	17937920	24082617	100939130	5787771	277128111	25354994	220636647	16463847	94592483	84755106	16841399	96632759	48982078	61080634	229356090	21923270	165230169	47036256	80729795	245383187	45664613	9273375	164174842	22814096	100689234	7004598	25406752	10129819	118306413	249405033	55375130	19376107	158288739	90528604	33571574	443570068	257448107	394531925	43925927	178565232	32166030	73889330	30957219	8874155	5510755	20729952
pyruvate	330659	220349	385577	765671	716738	315465	1184683	1958938	647631	591471	284246	2361839	479905		418171	464676	433089	235697	764849	3078519	296293	583532	252778	3234908	873305	879897	6456352	519204	740917	3260590	269313	2158368	181508	462588	3580148	578345	140737	377456	409424	949895	426203	3910288	168748	590778	2482460	1799292	3620314	1687411	3794737	500452	334568	515456	475184	305760	435635	1421033	1047430	219863	273985	1599945	436511	1063252	1693779	649631	893372	454769	1197410	537629	713677	394184	564110	332645	276901	256995	285942	1230933	532105	507114	229915	826375	653916	372857	225927	158698	1339448	1018058	587455	810640	928104	509212	378753	315948	290226	391670	464431	282170	2785906	2283649	1423155	438536		154325	349656	618015	610235	1467015	3810380	606432	341820	1052699	154163	443870	1526922	454446	181378	602384	626325	877859	1236544	108486	146885	126749	1063204	481562	4446250	1066200	1183082	275616	1082042	672025	319932	1639954	731862	801971	1512246	3031619	198532	407923	160379	296031	4382802	3244670	2390370	772961	1211603	456446	1263609	817997	294114	493672	582466	752245	843907	162763	1034086	782069	463974	279322	477616	1648373	531051	380240	528226	997479	750152	367113	367268	432051	4047331	305605	487368	343503	281125	481791	243394	1057838	192696
xylose	9799684	44188411	5047907	12452548	4329513	3452391	1893319	26402705		5951390	8983946	58538025	42361518	3614899	31313684	8678070	15174685	31859537	21271633		70755244	3130513	2913586	3302888	6487796	12765003	69155376	15531808	9067520	7037732	789584	13495924	11396122	20661932	70965597	4346150	7539344	1190085	33072045	2684045	9863778	37990349	16253635	20987659	19974441	23125414	40509110	9972094	46981853	4526031	3495560	4060009	2594933	6099255	780713	10475746	4733776	5563183	4136586		3175944	7464474	51388299	6018907	32465587	1921026	5123620	3176127	22808748	12456229	8919464	11734277	6292469	10944282	9926394	29729802	12997372	30976388	2245852	14918799	24669364	6879303	22029874	15426236	13223859	24049230	6628195	52893144	31681728	8182669	45346524	2199968	26280972	13063224	9977999	17297816	20074533	3753273	22495328			730840	11839288	4347806	16921076	12153617	3402728	15962905	17374997	10103355	4157431	6948307	306040414	3606271	8754999	66287220	14802731	1689391	2941326	6032245	17355805	21548284	5525120	2942623	30035360	74533353	162519197	5897008	17409993	3686525		23744431	7659165	30467328	279354	2257794	17534279	31478599	8784905	10729792	2497538	12335114		10938115	45230747	62372135	8521783	47261947	13067152		69335342	6179576	6261417	6521608	1776822	2264188	4445451	4165921	1902547	3971656	21424208	12810225	1395810	18017941	9115460	1632605	4471620		4032750			11313465	9957395	2690496	19105820	3062832	28464680
arabinose			1675196	8896849	2322997	2025684	7824651		22342474	12617269	11047727	103305612	18274101	13659270	39258489	4734631	10469465	29978148	16935969	10659086	28744427	6258400	6482039	4446163	4826739	5299514	32547754	10401090	8707583	7998228	6305595	6076000	11171256	4049744	107204404	5685303	5328254	3180292	16049928	2537349	7626527	9494293	7595608	10753228	32832783	14976616	26090814	11825712	110872450	5103469	3995404	11869996	5161434	3702685	1095441	16101862	3645057	4873480	2004246	90906611	1224995	38376684	54014148	2792663	35601705	3772726	8742294	6952255	10742770	4353380	7928385	7693049	24000486	10164198	5815967	35251346	6985378	26319206	816640	8321952	14793398	9005849	8892378	13669858	10945195	12457261	4107733	42670885	52358544	7540567	15591167	4471087		6618265	13654655	31938959	15029170	14063338	39337923	10093012	27327961	3896594	9455742	3221064	5234519	11162633	4207904	11648084		10872769	846054	7930569	510129829	1454125	15950111	54049957	6031062	2698078	5117483	6395459	9466333	8992505	6615961	11429015	12299100	26190804	93914371	4042274	20518932	7591652	32199334	20211537	10487324	99077487	1088158	9106075	18492202	46103662	6370813	15926633	4659180	5554943	256992971	12674118			4466653	179410936	12779654	67537451	60706717	7408717	11353255	5944776	2927001	2863307	4586642	13054265	3787510	4303114	45073927	9566663	2497166	23598067	10462586	5129567	7732836	16163794	12402195	7870633	4603946	8400861	7528191	2868008	13955232	2649167	10914274
fructose	2415396	4212988	2300376	8758372	2643748	3839778	5754582	30435086	62234576	12711460	11865075	20602870	20925629	80612741	42904458	3641113	5101318	8653332	11002837	17070502	18079797	37995803	7593594	19692369	3603085	5155113	34793834	3616832	6378466	19014315	1268498	7498539	1857053	1452579	13958802	7740867	4027065	2641327	18721322	3536535	6117615	7077451	8286312	6032886	25657063	11227311	20841799	5901593	27916036	2445610	3432492	4432234	5219616	9032010	1027360	8283895	7300901	5759458	2416178	423112174	1569192	40014341	10414372	3287437	135155986	6703806	6637450	3083924	8635118	3222249	30525351	3882595	5852338	18129166	4008323	13498715	2937752	14261792	1102403	9203339	7396284	2914835	5501129	9766424	11829819	13964663	4741046	13856263	8801455	3428323	5517133	3853806	7807262	5325893	13472822	13701994	5227223	11253323	6369691	8064654	35431777	5179272	4998596	3399311	4036188	6497275	7798426	20980065	9385437	13063167	3962684	22937618	95580786	1749213	8007190	11358894	5387902	7451162	12954773	2676974	14997778	6667205	7193729	20590634	21558759	29051627	64339730	3886685	6087674	4036220	7081959	14303557	15660018	71138679	2074412	16373668	21536224	22151723	5061873	16460835	4431921	7103590	11617072	8720942	6102965	51576856	5979720	23017070	5380871	6440732	16094815	9226498	2940318	5143732	2515129	3072073	5520717	236762018	3829298	7025455	47505231	17371241	2229824	16275553	13433346	7469385	6981145	27146983	6214587	7425326	6544526	6617602	8105549	12976530	14039062	11946724	18492942
maltose	5489212	20454020	3078075	7608350	2955556	5996835	4794198	11653628	4583257	3928121	18765763	29596479	7402191	35247101	851995629	8422602	9838358	22182242	11216789	2456427	6002643	2515313	1938103	1849430	3391333	5192980	90912455	11524400	4345547	2882322	1879572	22282709	1410906	7146558	13759178	26225103	4329490	2786088	3291601	2969798	17830607	2653523	657404	2138553	7931769	18608478	38924898	44427046	55364650	2808356	2182590	642778	7378642	16706458	3632726	6064917	2434216	8603060	3560359	134934467		325348697	6446418	5681433	45341604	1521483	7469598	3964859	8216459	1713565	9090281		124090463	6734703	1615793	3631653	22649929	1712744	1488020	7069986	7665070	3189236	13501573	10239629	7827515	7522356	2300039	2071780	11591044	2785312	4389953	3191725	14938322	4599655	10369533	4299177	9212196	9774880	7241295		2371219	396689	5601142	4816946	4576118	9824532	7263885	46071799	19317008	7995289	7516844	1302783	22593482	4180339	19194174	33730864	65413406	1193118	8002344	844832	3790620	2017394	2513040	5258307	4032599	13875984	5058000	610477	9775384	1812636	3327207	12521050	3409170	168472837	806317	9950892	22248779	24841108	8918564	16321162	5062575	9126971	20993141	4867302	5790473	55234798	5964559	15154956	2874593	11244441	7827307	2222155	5560228	32056397	1316035	10602471	3665174	7270973	4018123	8577048	36750117	6652866	2150605	17027287	23145031	11936791	4443568	6828501	29947962	7990145	8245485	21957565	19737146	14859903	9142393	31248654	17876209
ribose	15581712	15487677	7666129	34210019	14394349	28657178	28970847	21052753	26200331	17207758	39779364	19342181	34567602	24044145	51817211	49732567	73315696	89016041	53154036	24662857	32321477	8968954	8606767	9682186	29074279	35226764	42572160	10855834	21880653	19151490	29422133	17730674	41387971	14825744	86869519	56258175	7750976	13238614	20797045	38015187	49681799	34998698	14268637	44857257	53745897	50501683	38171558	16852451	48826901	18877505	14348050	9124259	14855045	43695120	6366524	62382442	43348580	31704724	14739165	60788872	18790504	38425218	41374880	23379057	106936315	53824337	40132040	43229940	37681624	13200151	18275784	12736795	20672070	43135024	23233642	25610939	23638146	29735689	858234	24559845	35552022	10378644	23203434	24753389	57309296	41561480	11056099	16523811	40138838	33981828	29452412	21069550	15790372	34262285	20330805	30249982	27903263	7870159	49810829	21228856	16537018	9120921	41202643	13245052	28664877	19481947	30221955	47514711	31931366	19735554	26527169	19880447	37236283	6232414	25960912	38352205	30098007	15258431	17421508	21826198	21857552	33692800	80598692	52019773	32340571	29308684	24365336	16804154	39547767	19206688	11095349	71697252	14649565	63832433	5769520	16592055	49798232	68597533	41208183	27678822	28492469	35558246	65563820	24600162	16942521	36944095	18035911	29875717	18937168	21621311	26415429	32936059	23869071	11652906	21027510	14355056	19668524	35036881	10077800	27770383	39791341	52335208	14817848	45696860	16426629	21595301	17828620	11145703	11791920	16412533	8698001	22216476	15677015	21986822	23558899	31097175	26404252
dihydroorotate	527122	464292	1170952	390763	324196	194872	435440	860421	360354	212035	1131458	468739	334686	423147	265376	542100	648962	416264	382805		367530	228469	535005	407611	7083559	4425355	621372	1531489	649585	602384	8386731	1498027	662001	632577	413127	1286996	440470	258159		718792	337252	575141	269482	558963	481076	454829	435959	190529	177856	423777	652442	1316478	2050811	846653	199409	2693742	671407	224850	135305	527228	279369		426155	457852	844684	502749	1190282	426698	19454366	437212	329390	125386				234458	345643	165957		134461		255510	282183	280093	275463	515057	325234		154145	643938	1057523	683349	363010	337787	201494	354164	619193	309155	560038	310410	403155		282442		724927	213540	260407	175997	385545		238163	421503	445479		248595	464254				205087	955013	1370212	1710305		443625	257181			626268	507016	185900		274335	329219		435490	281843	257817		160672		1433511	415227	343767	263710	176219	388155		224364	685340	439638	128132	207867	149366				568357		491503	407503	409758	1100730	1161402	290695	326265		2248112	180656		118153					108564	
sucrose		290104	184857	564531	299928		305683	909729	22224599	1849511	1127864	4384242	352585	80703945			276597		1182578	479727		32093360	1764300	3037947		434534	4716697	462797	214726	1825053			98219		1800226	788056	1298264			138275		582624			1404794		4342545	331090					405877	399735				708905	117150	16055759	144216	26376201		317688						126275	35455101	13106722		635814	123814	7262429		954637		652027		87581		133213			586628	488829	1394923	351312	364087				1773891	2098772		3464562				313290	460297		213005	431288	260601			2997084		216747	2190361		1639012	1819902		211995	55161582	688969	797270	93507		467388	2951164	3443594	8772605	854609	1347047	6957688	846299		579713	7208241	514827	792283		1223522		1001279	984828	249021	630844	464918	820794	13556560	369413	2469074	456172	960575	1170593	1497243	496352	564637				647018	1154705	1699458	1618527	1304920	315747		1876947		781710	4880802	292112	791113	179269		177395	250887	656233	16772039	10678313
allantoin		88127	69064	135225	338955	75514	211859	4723732	5986014	797418	391383	50415020	1881345	23485431	3260136	159772	308091	1508275	385361	141206	308458	19235638	1692276	10636917	873001	130604	6622453	173334	213718	1850235	1052856		4514981	96825	2727766	790375	434853	263630	640213	97880	195648	1871782	98895	155747	15337346	3343203	4920707	815862	10547222	999038	630692	126416	3806933	308243	65024	274100	177602	199926		844495	127903	9260213	1115492	83902	694173	4005387	641770	1169530	560483	117283	306899	255364		675065	89471	353444	176772	492096		2787906	243430	273862	196731	881925	106841	165955	137352	305728	2818737	226465	227677	135424		276432	515633	246632	272041	6118632	15713561	174046	288238	394690	434168	409136	396977	893494	609227	228261	351738	1754614	383441	962240	9458678	143220	159784	1426861	248655	591897	7375536	379379	188911	1079913	847423	1728330	1989819	153324	7880855	331155	202873	923505	144023	900441	452646	15497217		13393314	914883	936494	424911	275017			635527	153363	627765	779229	208189	218495	157515	1554236	286230	228911	308787	134731	293496	496841	150322	519710	4865758	2193990	888332	389846	1143180	3783915	2319151	308698	2702850	725176	1087999	210828	123828	188363	104036	5624822	422109	1293971	362254
glycerate	7612234	10293488	5534162	60429104	52917509	26231661	69251002	39065785	33691161	52113409	145312475	147412829	54900266	49604932	90419214	35628553	40890575	54257958	47674219	34604506	37418553	26670415	15974113	19784808	24581296	22455851	80505752	21009682	57809755	28481110	24303382	22852818	41813031	16337162	68076678	58226347	12453205	14877370	25176275	9475105	43156659	42658881	7482048	16222984	19945377	63409789	66430235	42663844	77411945	23167504	12448420	22729462	11045728	21062284	3904701	33176855	41597074	68406893	8229453	106829213	8985609	35671538	59656932	13102211	81737005	39913368	42866983	17189852	16940378	25178382	10124619	8229929	49435714	37399859	19096059	48133621	28103531	100791974	11841125	28322707	28733407	20484267	49244862	44338190	34481389	22532351	29625334	35902285	88312854	32458079	59994485	11325457	13581771	27708622	39112821	21192437	31429146	33073506	28181545	20210317	31394971	11795857	36476805	12195091	25496344	94085615	24954356	35544887	83547438	55537762	95393858	28437859	86344333	10880862	39200316	59240971	35016895	18379128	15677286	29549833	25414091	49276915	52176894	48196226	31703017	48388301	62934787	29739243	24922689	23616572	47934157	49422971	28963877	64378759	14668511	53985862	46483974	57508544	71480492	27589238	43074598	49384812	109113528	42783865	86953959	166252491	30191551	229075526	68342324	314813825	57433703	33487969	96690669	19272164	36476163	18826602	24874072	56833213	26669869	28898256	46647686	44151944	10762650	48207004	64412748	16024015	21419006	46454805	28140600	17665570	20800951	40337783	15123212	15654108	36547460	28078453	34683038
N-carbamoylaspartate							105112							50484		68557									916162	1056661		88132			523360		127345			129593				1399030		2128628								575851	1229477			53488		497463		168055		356027		64499		879656	171062		79967		253092	113191				115234		396002	802367			205235		453799	552761	81786	45822	310959	257946	60984	97749	1997869	3871380	1616330	168691	2426335	205529	359723	588245	1403647	623455	92774	500508		158310		2662202	71389	806187	148082	789938		333002	659064	512534	166361	136169	851441	158581	243237	139412	412674	321786	2760613	13658278	4103871	500354	216129	427108	147682	346686	1153868	689373		460697	136125	415885	3153359	43311	514826	510537	129491	342195	4544956	1975312	1890639	286330	347085	1023726	486484	254846	10755164	679165	2266284	622957	315202	1039549		2958616	1283979	193042	3369022	1402959	1851982	4652415	4028498	135387	692605	755682	4173457	2663855	330970	701753	60747		154562	176985	709319	368385
N-acetylalanine	1559394	1682572	3145340	6729150	5174200	6652201	3698622	7208509	4204600	6193224	3664371	12782793	7099017	4983751	4458303	7837709	5047138	5923032	4745258	2135464	4670892	3751473	2921219	3018397	6213851	7137775	7592661	2727716	3748906	6181749	9988324	4460354	19255908	3163564	4706876	8829763	4194470	4550705	4174113	8602348	9649909	8553112	5513505	4244129	8275845	4658886	6279921	5757179	2210786	8642509	5974993	7642473	5962594	6841172	2161419	9047853	4536436	7705207	4621317	7040214	5114112	6609471	5574276	4238203	4128454	5648340	3474759	12058174	10972237	6651983	4353983	6578319	5893176	7828848	4522478	4655124	4579006	9114664	4049536	3802464	4235634	12697284	9157778	12872386	2820517	3150299	4299211	5177145	3342330	7008582	3136317	11317465	6114662	8308760	4517399	5999028	5243835	4003773	6326686	8957903	7476565	4092785	10951750	5255363	8075872	9434872	5354982	6918110	5611220	3512150	7368150	7540540	13032831	2453652	7364493	12559681	8305962	5816251	3147346	9071890	7557082	5578780	11275786	8153319	4238560	9076829	8762577	6923653	11455981	5983258	4746395	2456066	4502463	3193723	6585786	6611993	1569771	9687290	2879173	8704889	5271769	4090015	3995824	5262828	6072554	5512358	7069806	5907647	5120041	3749464	10384112	6064450	13206428	4223702	4813084	5679882	3881609	3394418	3154210	11522012	5455042	6028278	4012585	9316428	9293447	6467574	8748297	5000815	7968425	4445429	3805470	5894197	14751859	9223985	5636854	7281090	7007127
4-acetamidobutanoate	3176971	1664395		544960	589268	2555597	7212725	6604839	2882054	5460166	5532049	1738062	1347045	3134614	1644421	4006928	3158017	1406736	3076617	1545991	4143345	3520570	4194908	10094621	395317	580476	3393769	9305520	2540735	3970637	999292	376245	817252	4183091	4915489	3534179	5304553	3218409	3011235		958102	377319	1585832	1165252	2861037	294731	4356771	4085969	3069176	458067	522647	4456690	3260467	9052887	3625407	3320430	606728	2959047	1608437	2284538	3271349	8979674	22751532		1320495	400237	609379	1606295	2024088	2171872	2200681	11442230	7165944	3716025	6032609	1781460	2496015	1716716	261963	3197290	3397844	486154	1057942	3036148	1931037	1360311	3092838	1921073	2591627	3650175	1031987	324568	151937	691956	2590975	1564256	2710466	4733780	4535290	7393571	3828498	4821249	3191048	3747156	1112414	4482215	2901686	1747502	452055	2245212	3171409	5852248	2185774	350343	3107451	7616966	4200148	504656	228476	2818179	630582	7719261	2585912	1489232	2308682	1102098	2034295	554368	1803367	5343407	8262601	4800536	9101372	2234925	3164607	5763557	12699969	1828052	1376184	3055875	3972956	3915968	4995764	501442	3177847	4425786	596916	2603930	2822818	2269458	2838131	3302425	2206123	2956930	3376487	286148		1113479	713034	5625180	9839069	5676019	477866	14397556	3879500	4664291	4501984	7445088	3110956	5779654	10237068	5329589	7936500	1673367	2026167	178502	4579147
isocitrate							2699468					350144													1485100			2100817														52190																		708589						451760																			1173088													31768774																											293903																																					71488							53430								
beta-hydroxyisovalerate	635538	3089090	1467953	2793694	742246	611238	834716	727927		8371538	2115370	1545070	2680839	5076867	2449614	15914944	1433088	3115884	3474321		8543477	799307	793252	1916313	1394501	2025327	3210097	1687714	1853825	2098659		415369			4145560		807254	1003695	2688114	3750111	6332868	4591418	1186917	3512117	37648323	2079289	4480758	4929492		2158701	1265520	2305215	3957239	4146369	467129	3747871	2626617	2707409	2866314	5429808	41929305	2377219	3646063	3303620	2595077	2442159	3080245	2001754	4812489	2792816	2704723	3473031	4992884	2884077	2669052	2533317	2653609	4735789	335053	15818639	17017786	2424225	774695	2338617	2754547	3677782	1177137	4070497	7801181	2999225	2341635	2962639	1589296	3350371	4343249	1994222		1543270	1734495	2325057		2403531		3268800	547467	6184511	3811676	2416666	3647536	1882469	3369067	1762730		431146	2731999	4155001	1928180	2915998	5064507	3863671	2337372	8781502	3647740	4286231	1755085	28291789		8924251	3564051	3206943	3560830	2382227	2303522		1655762	8200364	2768240	3893798	1588143	6047488	3454043	2360544	4208261	3668701	2952761	4077950	2022462			3255017	4150317	2998857	4264235	3033910	3028041	3025838	558533	2755330	7626210	3541695	6567021	2117023	2073372	4553322	2147454	1014538	1670550	8319435		4991505	2590746	2643643	1889416	2114656	3309982	3449024	3033713
methylsuccinate	8383196	11156634	9640609	21350553	13217254	27417869	229485807	259271002	61803406	61970408	326318394	147882542	48769772	92174035	142381967	127688754	41457300	25141214	271839525	155920636	37051025	133369044	74131437	110358596	180881646	212845396	94417308	215150588	87107415	163847361	255274155	81107802	218234496	124694106	111305630	117201183	3004681	6161182	23909614	229309588	187561343	173977340	57415023	254375719	147799653	118133858	85349111	91750500	89802472	255758458	188892538	46469975	73408172	148064024	175067367	94110864	79668401	145472786	183857068	252011751	89983206	109367474	162283785	9514976	49701391	5767130	40636592	7439745	91701510	77319634	111563980	10943711	169708761	128053751	83530334	57558244	186299907	91098742	117571360	311346642	285525622	144005205	141112583	134454471	74092523	78488293	83693344	106244839	120727262	235310579	107230073	37444995	57622702	291911190	74335234	57090236	81586345	29684275	194980312	191793978	106279323	37040199	104667644	82241889	143042190	70568904	112519401	155029001	156396268	94987249	78943156	230897937	36857267	203120843	96877653	66783599	104372845	204716419	101030719	159486321	108081454	171747167	42665015	25748089	144937883	220293746	94526556	10134045	30305770	74015311	62855580	159644490	52201892	102356451	21480897	64980994	54753297	70674307	61775738	123301340	57553112	430873390	375842425	84722137	188074744	213166223	184039739	111983827	158256554	24200592	139549639	182899128	39206343	129614162	168128310	98048323	64768576	333719681	52558412	287208181	246237051	174014234	268785235	201999215	101338681	192876642	165628483	25476177	76523857	167914533	181419410	115650768	249586595	75482500	56843891	17604548	129005392
tricarballylate	81389980	4695150	20891295	271692682	78678945	967512858	551566331	1133438518	4981310	2452334	458768917	257991102	4856333	61095851	98896167	159861046	253723651	18775463	105288661	196971371	78784035	74944653	78759154	11257170	427711287	567618278	74923155	969046675	191847395	316156364	386809636	138779608	93781447	28732682	281065024	121308779	4670886	113900230	52137092	234868813	223007498	1535785308	9066853	458901577	153995650	709318477	663287680	48867746	556490871	51043142	391566418	55815840	15779237	28646140	58175568	66767767	137551741	18413171	17873702	899657104	10159007	76319273	230346409	50633355	1428726628	557851153	373444721	194790675	28859892	20281297	24010456	10070240	13558301	3136876	10928133	9477317	12217913	11656963	6199390	22380330	27230617	36086794	28512372	17685653	1108769412	866820299	275296801	167948691	8374444	66852193	227012199	107571382	88577523	78376415	510134602	5649659	272388144	51244151	25495821	50131689	85349300	5558326	6332359	8329658	104212878	12869459	187523350	149377168	15429030	6747654	6791296	129018961	126438796	8768233	29222959	6463143	13036948	77725287	26485957	39082488	11214493	21828838	711315125	262546423	909762579	8197562	86638927	9083938	5179773	12286358	4294930	10431930	124748980	7320839	55703567	26930066	4277767	13880895	19020372	4655604	696569572	757798329	357874068	8761282	172676010	394102374	237854803	41091309	74360795	7959474	84499473	660810414	10500212	4554418	14139363	6745020	711932529	216982755	7183046	460270040	374111302	162794655	138453825	502827600	9321861	53690709	22443857	5424211	13580157	63708635	17941320	3917406	21183547	4427726	2777519	23550519	20274499
ethylmalonate	5359428	5332262	6192263	7418056	5260322	7352666	5401591	11030507	2726261	2336880	4144544	1330576	3530763	4771247	1069406	13333279	2367722	1042167	4893730	4040532	3976376	7639457	4448007	7695202	9834422	9510932	2933361	6872830	4670077	6227062	25089476	5380492	15153807	4025573	5716599	2717172	1937449	3964118	2168643	8087041	25604488	3488306	2177819	8772343	3387480	3710942	1941877	11528475	1470152	21387401	13326849	2659034	7202149	12813869	1419689	8095240	11264456	4241116	11000655	11721707	5626511	1663506	3896552	3234268	4176539	8181872	3906478	6847526	5937477	2610409	4304171	685957	1852989	1691375	3346557	2156672	5834304	3696164	5398194	4155848	4486386	8739832	6199637	6601522	5100695	6246814	1466277	1524710	1507592	7531541	3297290	8967437	4567424	9266185	2897635	1027727	2712315	1303012	6360290	2653749	9624358	2093553	2003167	5932025	7572695	4843223	11846589	10105562	4135873	2422050	1885376	4919194	1479957	4992826	1649415	3445161	3080322	8675365	3563256	6211756	2255027	4094088	10046229	12621375	4834937	2528775	1893915	6094155	3320274	10462229	5512137	1286511	4308548	619409	3811660	7013046	606788	1800217	2790609	2552409	3792468	3707642	1319423	12384731	10068983	3097180	9293728	1491741	3573429	1196000	4610563	3620517	2469011	3733985	7169714	4891474	8512803	6467676	2141392	4927761	5798894	4450309	8032502	6045282	4494479	5615066	7659556	2730807	3163754	3116012	2583791	1854475	6977046	1507920	2615104	6876904	4826272
3-hydroxybenzoate							420059	183068	3229981	2478056	513774		302269	297236		434717	1042673	2021271	899150	226385	298265			554047		299493	907881	808783	356572					166754	2178791	456175			447741		740208		459744	820654	717232	325158		2108629	641610	491431		711048	191304	712289	507573	381399		723605	456323	319924	1917508	387075	873702	453470			192250		793555	419253	398746	706516	902397	1553371	879865	1042668	538996	1151025	478678	520316	533816		252455	336826	520178	314861		241379	519339	460672		553745		589987	517622	1043651	1108695		1977976	351833	518892	248918	1425815	8504416	794951	3858730	950407	2015289	446743		910757		867386	384771	1457300	1601991	2138602	509639	1085613	2858357	270109	1790757	674543	3595750		607815	527749		1267882	1387614	789635	1613025		1118563			1211744	1459277	281145	1089216	463152	752533	258409	1111123	341387	1263621	326616	1395096	643029	966976		334942	615380	866850	696797	3055155		543664	813358		805698		355812	874680	1425141	795719	1209790	3426926	194949	339013	684343	418556		1107797	1340269	318618	595798
suberate (C8-DC)	2922698	2382211	4118822	3822968	4204169	3889965	7920042	3959698	1147990	2056305	8736373	1430421	1417872	4501653	6526683	6593100	5575920	2457319	1857378	1163185	3490298	9913193	3347118	3040368	5388328	4102384	2461698	11769800	7194927	2096008	23671673	2602961	7503497	7446187	1533142	3205799	4224308	4249837	3579945	9800287	7744682	8659805	3291156	6530684	3715538	8779070	4438998	2374811	3850015	5100625	11877394	3829428	3689388	17536269	2657709	6048898	8648745	5358159	3667435	13984503	4767129	5812793	3340483	3866897	6280374	5448951	13994605	3272878	2687786	3845003	2875954	1681827	2110886	5567764	3193694	1941760	4437813	1566395	4167524	6065896	6059407	3050073	2995469	3583341	16752689	12131053	3760763	9234615	2560078	4598023	3156834	7383685	15725948	8153272	1919945	970094	5485579	5281786	5486119	2083054	2760665	1969903	1869162	3284050	7038793	2973937	7029185	4116663	3743126	1524927	1679050	2781704	3911198	7630260	2733401	3945705	6325959	4668143	5227389	4878463	1273938	19715910	16789538	11757984	3003205	3050304	2411033	2829863	4594642	3290855	1975906	3030684	15428872	2878340	2672090	1227305	1571852	1777482	911987	4279360	3751074	4047133	5022292	5084313	3353639	5931897	11425712	1095198	2286508	845231	2074978	3644307	1296849	2238888	6737701	1671367	4188665	14205725	2182569	9127363	6533123	10184017	9325259	5789419	2207311	14930336	4022107	2710032	1662056	2126597	6574710	7732027	4198355	1702138	3506016	3492173	1747164
pimelate (C7-DC)	1539358	1058505	1931191	1402002	1862034	1032922	3746548	1356851	370006	819682	3314107	792699	550211	1959586	3430750	2617355	2032671	680840	2269279	928000	2191433	6422677	2769749	3195166	3585317	2948635	1332677	5756595	3705833	4595714			3834818	3540764		1951213	1642161	1967196	2097106	7290420	3918000	3770872	1641642	3422873	1611989	5437957	5052844	1623406	4026124	5046978	4161653	2588357	2461283	7177821	2312380	3500467	4774658	2574145	1614434	9698618	2434427	2370679	2279678	1217555	1362236	2521057	2923996	1933735	949049	1442903	2242691	765179	1302661	2247369	2161079	1266877	2535341	851032	1554777	3524501	3518312	4033603	2907071	3451441	8391406	4975724	2059210	4821340	4655918	4224806	3156171	3341159	7867085	4888627	845304	1029006	2107705	1329043	2617650	1143594	2910614	1371129	2782577	2097480	3911038	1941663	3674673	1950665	2769691	1138266	1849472	2485706	4043746	4111554	1210927	2471983	4433163	2756731	3271755	1812075	981631	8314402	9825803	5622600	2156267	2770400	1642086	1132840	2297381	2921072	1693358	1316709	4593348	1394398	341759	1781844	2174492	922384	881792	2968293	2791174	2941286	4776496	2437453	3667328	1608182	4814856	877835	1602754	380889	2812148	2933590	1588028	1351056	5951166	2123686	1533082	5318416	2190868	8998604	5413977	7333318	7929259	4533674	1536565	7569861	2773046	944709	1520147	2924507	1831353	2607819	3216268	1029632	2130005	2488444	2325541
glucuronate	1286648	1581439	1027237	4142355	1371656	1662738	2777888	3286964	3523501	1515010	4462096	28401252	2826000	3011189	5938255	2206080	5507328	2776534	3017339	800261	5800061	1687442	1480503	1027014	3288954	6051497	2063261	1525130	4167517	3829631	1328696	1382780	966097	2291284	2967907	1790817	919121	1413531	5152359	3192023	3416007	9946927	3178341	6184518	10031032	4961932	6555643	2646132	6842730	1525407	1289231	2643409	2094755	1842785	389441	3755117	2382761	2408038	1799032	7846318	2464154	4384819	4871899	1145995	6754331	2803470	3030633	1831430	5905908	3218542	1228122	2598713	1450231	3385022	3331797	3926063	2043266	9516094	539655	3926552	6139299	2961042	5063444	3973842	7185786	5830009	5039187	18336269	5758655	1355966	8294663	2003029	4370451	4172789	9209535	12295003	5089347	13570378	5965486	659719	13824713	1757800	9866622	1741328	2391691	8005766	4105333	3080991	3405875	2037718	3129065	2702183	35031826	1490557	2144832	8290456	3729010	2261490	1780852	1619290	1432003	15742764	5734419	4037060	6256394	12597774	26086685	2169338	7402933	1848258	7788568	3621877	3506536	20161021	706258	3222570	13931307	6901004	3957639	3935288	5302237	4124015		1976979	7720543	10637523	3613478	9544463	2547005	3127539	10654459	4322141	2010181	1154307	2109792	674543	1911449	3723220	2044975	1159811	5643693	5233065	1409053	8231518	3868676	1433614	1091562	1617803	1650980	1603525	2402039	1961484	3520553	1479980	4166985	1365256	2699859
maltotetraose		303635							2183927	420785		5158593	544163	703652	118743576				231854	1817590							791022	1402391	2892374			316045			353137		262856		799337		325656	416207	976134		4374098	207868	624928	4130260	2494438			1761697						277378		39766255		62135889	2741531		128070					1288161	2702410	2184772	15573866	1628268		3589829	56523	3075907		1682792	2416235			182674			368280	1831953	7216427	323912	1412207			255790	18724254	4633126	14417239	1258139	322518	131794	2128442	491477	11382370	2790928		1060960	172384	705200	182808	4743432	5505123		7339575		269291	15581326	29247423		1817837	402907	288793	297249			139015	1729838	6744077	152667	1102347	433134	808438	508223	1339574	10374836	290593	7945520	306411	630419	232743	1001708	4062838			438367	2024189	767401		17267034	153163	3444991	1323149	324675	6889503	1819555		124743			119397	196254	963725	436591		891189	673891	547346		2862591	8415301	2305985	2950568	595948		244960	4922514	3959901	331623
maltotriose	395810	207367	247919	423374			748808	681458		408527	575256	3061318		1484601	128628791	384826	536501	1530921	573940	1742245	267526			143492			3877343	408342	591909	890627		1361537		583674	3120768	719346	106220	249963	336156	449357	1577716	456009	170112	354739	1792152	1570612	4482084	2687451	4806121	416255	199190	430288	596682	785329	213228	500499	295962	1370842	275190	8920870	229425	20206193	1194679	228239	1811426	144233	512142	231768	571730	383619		206171	10113554	517269	672338	653357	1427569	1178602		348887	638835	548198	1924929	1140705	1177496	907147	531821	855975	1712799	524839	535710	118867	982338	624979	2040482	787066	1846163		1481282	134920	988688	253095	1309626	657613	785390	1152839	390643	3820011	929139	592621	755535	447694	3425458	183189	1878694	3635660	6671734	209750		541191	370933	185211	251546	254620	874572	2124277		171298	1520727		1266644	1022590	779747	9832522	192770	732494	785541	2659278	1480004	888324	1338353	906920	1810073	884366	411780	3208054	382745	1626047	196678	1037537	1612089	358800	597381	775586	186049	772429	245239	607612	160155		2668478	941589		1970447	1406175	474234	289714	46095	1722745	1149781	690314	1523404	876298	1190485	791719	797015	1172181
ribitol				192739		90355		96517				89566	172403		491462	173748		204130				56600		90395	231879	304558					1216111	112373	764218	186732	320980	948994			136301	65619		111456				351331	114906		130992	172409	182643	177931	156505	220311	42640	645402	362771	126992	134852	512450	96770	144284		111371	480599	307559	1020190	583890	615403	116969	337933	58330	98727	242217			113760					225608	362460	782835	264881	194459			3634480	344496		396084	229180	147008	84809			2669715	1760172	188334					280772	192214	130064	204403	180287			210593	451747	42342	138118		98439		242692	141540		190311	295302	268564	89179	166520			70494	99637		219370		170389		274137	60811	90873	101087	115129		816307	985198		65631	490151	222963	190886		138159				121075	83028	131996	307748	238795		109404	112724	87731	183659	628710	204800		413243	137727	137393	90666		207912		178739	261544	75631	
2-isopropylmalate	598432	1445160	725569	1895476	1434114	675190	21412344	16260422	132407456	337851128	7388536	59269001	1417238	3940013	5416198	1376920	534693	2424514	90671882	5424800	1120512	1166038	896781	963790	544175	731699	51656166	1362450	27715452	2952090	2640752	825641	5774264	548198	53535165	5941659	948979	514866	275254	2896055	1782828	4247161	399773	723017	36865237	8347052	5759679	3373974	183086882	1047066	3856032	15581613	420461	8842483	3554850	2128385	4734454	3339065	920281	7920498	600906	4310506	21343713	469823	4119614	2733384	2882773	1030850	432998	52524283	130336384	22498679	2213546	3407446	2046915	130986335	1592791	42300311	234145	2114419	2692605	548863	1645336	5266846	3134984	3334584	13269413	4996700	100049783	2763183	2194372	1038445	981870	978730	33635133	14393907	145649559	134004421	27155182	11320551	79883397	11321117	46702185	498835	1701125	13431870	1094720	119970050	9824807	6373845	23750054	1996832	130655897	431580	72844769	32456204	36141143	2670815	1574244	2506815	376917	3455446	1655305	2773536	28228985	112712910	6776922	765557	82990172	158559693	108008530	3533716	3538133	14502252	1760652	210976638	1891142	18520094	6608803	134071131	35886487	6716040	26837424	3021891	8330397	10941784	1307689	233755443	4260091	54780774	10131421	4195037	83870367	287960	2494947	1420008	1162557	2385023	916205	100369706	409618975	64013429	1538406	6890817	113584431	1225348	2208223	232956725	82905093	1750732	10932243	4770631	489817	1316446	72054308	1941522	79973855
quinate	2907115	2548969	4516837	1889724	2449070	13286158	205186288	9661225	60605750	19568420	14590208	12526765	1116988	11265320	74411212	4880816	88007275	5224330	10575366	22715881	6445422	5825748	4813778	8894096	3146957	1045965	6649640	4591034	6992337	34931387	2291067	4019944	1262799	691198	202162625	23885084	3848319	5612158	776430	2729773	5731554	15517116	5292438	4898948	40505462	429203060	500076554	27643463	36512094	5101125	7779203	3059546	2309224	20957807	5514561	3039312	1239177	3624774	2283097	34373418	7110276	14709486	25392380	7341851	13498697		7458619	3191965	262166805	1805520	5333285	28107440	136014198	30738110	146986046	182978069	1403072	125879618	2959598	5341956	4949393	7334069	8832761	5318367	10121586	8425365	8398104	15497708	64052212	1716557	5859780	1584575	785272	11051479	11817369	2007590	74056936	575223478	105064974	142398910	104761894	4903698	7153473	40777754	4398021	69737359	78863523	4560254	6126885	23678548	11042502	4494004	111747422	550244	82396074	236927950	44857338	13334586	70005827	17658279	10710157	3634266	2824093	10429919	11162874	108080929	121450511	2531540	13269138	31096994	98471395	15442784	8020414	44302607	5134526	13440743	60434232	36784255	4214054	29059772	5285549	45657823	94288107	125440298	4843918	13440553	11148563	64876417	5479370	12904897	37074015	12954883	43198060	2646253	4238007	1348680	3519297	31381069	4945372	12654892	19803258	25248410	8660997	39418145	14202450	7044059	44707137	115762903	23751761	74233349	32697246	4037765	15452639	12551521	11010438	4499113	6600092
gentisate	166088	379576	356914	895809	617454	492525	2556038	1857804	12296371	7370202	7477890	4575250	2259893	2571531	4189917	9587824	5078286	2708916	2036860	3761072	1202018	373234	797744	3387268	577136	1324352	5436395	744790	2126758	3263228	1095093	382388	508613	930742	7622518	3161929	666905	427321	1108485	6540432	6177561	8230067	2500146	4041116	10487080	8445972	10364628	6493547	16783059	1241644	929570	3804904	2158878	3696541	2035604	4386288	1678922	6102645	1427452	10720210	5275706	21893231	34278001	1819805	4284812	327254	2779599	469117	3636155	2925569	2296305	6006853	4173571	5693675	3119999	6334638	2675877	7211805	1062653	7590914	7390734	1603913	1948054	5378395	6966255	5712324	928475	2282653	15256267	6378255	885224	2171262	1187695	4095228	2913547	3229790	6709123	5083279	10395726	2255188	9308704	3300164	9357239	5410041	4408459	2324482	6314066	2220313	1591981	9636624	4782866	2120284	21910290	1041307	10824488	9848792	14168972	1981130	1760200	4977218	4521689	1311381	4728540	3222057	1519122	5940869	2441553	983598	5558423	3522514	8081551	3240443	1537976	16468288	1482691	7072881	74572211	7314033	805420	3409653	4195760	4930424	21616640	2632821	3427458	4875438	2535322	1848148	5013120	3050433	8740301	6938714	5696084	811699	3591697	4183607	245188	2980671	2150391	3270170	8379810	2228809	2273382	6364462	11074159	38235254	4466746	19069470	13512856	4049358	5471667	1733701	2398668	2089331	8097866	1248538	617365
itaconate					191798	261202	161350	452437	2071881	2277222	375497	16822182			224625		194943			1385328	598288			207401	464028	231733	297938		8823978			301115		93820	919082					283964		87405			2577566			218789				272896						430544					833083							281921		233164				2340459		1324459						456665			276707	3829596	990207		205989					269315	6579063	652739	1022416				341910	171466		317422	227773	134863			146322		3405763			655587	125134			159046			203010	208468	462784		1237907		947752	277521				955824		1061377					800865		976169	2011327			191714	472908			1683359		143091															421580	300851								
homoserine	222884	2156328		4617752	558097	475343			1066165		4716682	1450467			3208054		2567125			3993744		2279747		3232093	2405891	324353	4224090	3368628	691014	2970716		2494873	5157415	379789	2944113	5297294				1844283	490350	651162		638589	1134519	1466209	2423160	2667449	978260		2647304		2391735		1124036	3478980	3344380	1954720		3213263		2817953			1294873		3974532		4963964	4521350	4019821		2490145	5780938	2281339	665436	3056574	1498926				142509	801252	1139279	944177	1730059	3626962	1201360	1243867	562167	720618	438011		796672	2830910	2900262	3949321		2628465		2582256		2970194	1458831	1401812	6504632	490758	6900032	1444187	4000099	2039001		4975125		1113833	2673607	3180271				991364		1224147	1020051	607773	2320789	1396496		4071655	2469313	2346021	4399122	2421161	6030829		4708798	3500674	7164033	567765	3446565	2015054	2134568	3465719	305203	2274876	1418407	1797691	1394691	5650826	536479	1573178		2080830	2786719	2871519			4451207	2211698	1549403	3221438	1506125	187346	4059806	1602901			944241	932457			957792	665836	2913995	1707712	356770	
N-acetylglucosamine 6-sulfate									96251	239809	3103336	16666135			1076450						156655				127877		1540737			520012				490582	2035417	179761									3884795	265050	767475		2222543				375829							313376												168611			230718									264707	231083		1769958	1067831	90700		416890		155911		1465127	1668707	816513	9201388		1800840			1152907	114349		301531	130041	1711557	121660	70058			41174241		203086	683767	136693				1796513	657292			2065634	365069	5052038		1250549	445303	2642254		392843		294200	82420				1025932		607400	4681394		645968	2800996		748105		521243	3747513	193440	996321	43673	377541	634334		155564			1648440						212784	2848332				182918	97137				
glucosamine 6-sulfate											1309805	8514987			363241												179500			146111					728057										1590325		391589		620711																							225155													90455		303233	437648							647002		665345	7794400		618111			165983					668628					5132193			196902					271433	91758			820437	501567	600962		518773	534012	202278		731505							435923			1206921			2676823		177715			548205					234109					522835							564417			72390		65141				
maleate	412438	376734	410209	574621	448394	443195	656601	927389	535635	779311	1988501	1278695	235748	380189	400673	845963	767268	443442	715023	457172	525589	450300	427315	335115	586626	623445	426587	1147698	1674150	805145	494108	444140	351246	363290	1855395	846455	673669	501608	296692	508436	433466	573423	273770	696776	999806	633748	398013	351418	518909	245352	512483	477203	401853	615552	322878	386493	380051	360483	262986	797340	380901	805010	555809	465491	1018684	499163	1760264	390847	540893	455761	233453	226124	575334	265563	537885	519269	309273	592477	507996	441843	449892	346303	319845	261599	627108	489923	449702	614831	749236	545505	450759	373224	289818	428897	426108	414526	2294973	549151	444321	251563	485757	205827	688370	473980	655398	838303	464618	850544	691618	542322	254528	461264	2054265	446672	450954	648784	670059	452260	316016	318543	295189	483155	788344	902088	677988	1019957	792415	393573	961153	723802	533694	364603	1084892	349937	474416	1014052	260452	656519	708700	370459	542468	770532	1780948	468207	550598	536880	507573	1060095	583984	616394	626158	526305	488787	320170	331479	292431	596017	521608	414669	946950	916182	475321	465504	518776	323401	501627	407299	817770	892063	428092	630001	1107228	733796	260178	472013	852668	413330
4-ureidobutyrate	1568615	3932498	3006167	2825803	569439	1541161	3303083	4108045	3992799	4111206	3981602	997835	4729519	9998335	3191036	9125586	3214754	8305823	4002293	2946931	3174774	622244	1685343	6042756	2629927	3936646	12867836	2441452	3563680	16776883	5907954		5351951	1229696	8172434	4520329	1251812	621884	1342402	867422	500752	1413804	1026395	1419692	1046521			1065140	825384		514231	669930	1047950	4937655	2070757	359686	1294506	1580023	527830	971066	809884	1126524	3560963	968869	1478113	1122900	1835346	2489622	1898197	4174016	2695885	1337933	3766594	1721509	2440368	6282097	2898036	1802321	407148	5435103	4998851	2206377	1048473	2646284			2091434	1252744	1380438	3177765	3639064	844258	1226073	5113031	721031	1218916	2769975	3051205	4287241	4171666	5192781	3041547	1221235	1350397	1559771	1997588	2084270	2288514	3681123	4509099	5680191	8188277		1354593	5589221	54622299	3879696	2708132		6673243		2395935	2127082	1364260	1314142	1526652	2769557	945700	1808361	5641569	2796780	3741710	4391670	2691183	1347144	2943053	2118470	6540951	2756350	4555541	1344737	2241511	13353044	6066142		2682418	1403606	3094692	2131229	1230974	25420065	9483397	3168309	5082099	5888477	5396089		2727186	1077874	8492716	7047491	3116582	4229513	8514560	8787329	7479469	7728117	4578400	7134857	4929769	7783701	4847125	5129290	6980900	2283873		4762836
N-acetylaspartate (NAA)	6632429	19030154	4062176	22590940	8107103	26139491	187823060	119574279	43224983	30341525	68951579	15813970	6138213	6416849	18541049	14532776	26500227	4991356	13833131	7842505	11148984	8979586	10245684	16581128	13677952	57806543	58193375	42911713	107810808	113092106	37007321	33808907	27585816	1763371	7816315	8535050	2130023	16378885	10593728	88839733	90154621	92450380	3910921	13000864	21368197	33316065	28426287	5209950	33545925	8503734	30340535	53843981	5783738	22057126	21757065	132430567	273660602	68262434	17620512	129882013	40485032	30408484	9028559	27762247	7483017	231833920	15272583	12853704	9357950	1832983	1367055	7676616	29400951	15660268	8340185	26108994	95220813	13372167	5600855	25353401	17426335	27385643	74899872	36458804	217015981	159112910	37085199	10871742	24229423	23505664	91937141	6954770	7272730	28208729	28093988	8633631	60069466	87753459	7999835	52134361	22747819	15686452	6507355	7987861	147369853	27320026	99389004	13160815	71695616	16608522	8429563	7022012	28633869	8184890	67807814	46979218	31533737	25832868	8074736	76207333	25196499	72799982	59100081	31366427	132521023	13158891	27774840	7366760	33175889	44935278	182798619	15810462	83545616	188133473	57804900	255544996	6743955	30954129	44107749	47309334	36405657	270948258	26362740	254959124	133507860	27025633	106536525	5198192	14877096	19376653	36252204	87419590	180380468	9768894	68678574	7941571	14747222	14103783	87911417	40292776	51348340	70541709	6167624	22712072	48847670	13477222	13516584	100320101	51301088	38083160	48132252	36164077	22226701	33558267	80614763	130366495	8602363
cysteine s-sulfate	1612315	2289449	3189605	5050603	2856370	3037277	4185217	2313283	1113345	4724524	2325857		3137469	1156572		3320476	3099561	3225789	4495392	1275216	2798330	1613168	991464	2485841	1539653	1950788	3140794	4698037	1995122	2709196	5912800	4309642	16604722	1174210	1547574	3836622	1404516	3020802	5070085	2139206	3971507	3066011	3197424	4131667	1550904	4770690	1929742	2247670	832189	4853080	2732126	5693277	2133664	3052733	826794	1396663	2567951	5224568	3441975	2044914	1932405	1894156	3989925	3398896	2498160	5491344	2379733	3698622	5694554	3092791	3158001	2536340	5865626	7467328	2276386	2175753	2727006	3905798	2214407	2281819	2293836	3382578	4693661	4321878	2442207	2488408	2033577	2470145	1746351	3919875	2570589	2867385	5121722	3221283	849473	3868695	772356	224544	5071368	3048335	1745070	2632574	2114440	1921541	3019822	2537129	2271680	1386302	3768671	1262383	3179808	3634457	3212847	2087521	1676405	783958	2628243	3154388	1319397	5566145	1336991	2647123	6235855	2795167	1760935	2762155	3867729	5692412	1526011	2053502	5352475	817533	2343623	547580	2366269	3094173	822578	4491238	4373795	3870706	1253438	2722922	5195546	3156206	1694791	1993168	2053501	1134094	5035774	2000360	1818639	3138923	3078864	4029340	2716832	2159669	3612957	2674568	1975496	2755350	2213822	4362851	2399190	3292571	2285653	2196328	2673882	1474539	836663	2369883	2068354	1803582	1810077	1769396	3649566	4264789	2483889
6-hydroxynicotinate	135826	276506		1186333	182277	472407	263225	648187	1317499	1491176	1858190	459912	2474817	2202508	1973989	2667669	3283736	652301	2803947	5503847	1256805			2979497	413414	256560	222295	22132522	4039258	4014600	912888	240743	3365510	1773141	1718237	1709420	336082	532772	1947929	812097	572614	395667	2600193	679162	760964	523679	1661850	501263	250283	630177	351077	954294	1556461	2201744	124354	1499370	379335	2891599	467132	3127873	433234	3090030	6478298	299616	557427	950039	771571	586252	3980789	3143333	672486	4353001	4249591	2985441	2187694	2256027	1666579	1803581	648170	393564	565110	648750	575113	2378840	1104328	569661	5483106	2190981	2457270	460073	3743931	572982	380021	927285	433340	857206	2298880	902165	1025152	714894	775961	3108502	3268180	3372147	617448	2977646		439978	1800673	4262708	1600177	1587151	1188471	265990	1645854	2305202	6234455	1090529	479255	1707447	2442994	6786205	774211	527654	2271837	428900	1520692	418300	2134895	2328903	385025	3095539	412354	2369179	425057	645734	2261193	509357	552181	922020	1527024	3902087	1319723	445715	1347851	1487568	1765518	678054	5368427	1489005	3009762	798646	1866255	518399	2082641	552329	1198582	583018	425508	5828899	813555	658040	454523	1202002	2412989	705410	490106	3662790	3016840	11014374	7396952	2369568	6129443	1649509	4455555		1967528
2,3-dimethylsuccinate	5226208	3522939	6030869	5490305	3653215	7191988	4657709	6552826	357434	355035	6543353	237308	1706837	4311178	3155664	5852802	2965753	592184	2794918	1589012	6675786	5321124	3576683	487951	3221984	5146404	1913762	3115054	358764	4218332	7975163	2624313	3999818	4235509	703272	6603965	1238135	3833436	5320876	5124263	8053835	3833321		162190	429147	4950176	3245901	3564835	6614608	3909621	4331382	1091263	2274516	4526051	2675682	379530	3350849	2270977	4022520	8249626	2217988	1462920	1413665	4291510	2714871	2214193	6057934	4508519	4594546	1122640	1755617		2019673	719164	1304393	400578	1651108	581010	3156794	3674132	3616136	2073352	1837010	2131468	3435285	6291005	4035554	1784948	1992816	4976803	7069210	4848660	1823582	5722697	1865121	644348	252031	226945	3490590	508457	1016308	1025081	788161	1237644	5491060	1843614	5134341	2632400	2505242	593960	761084	3583370	302114	3476630	1100365	1282468	2667652	3355418	905141	2013750	1865206	1840350	4967594	5918181	2092761	1429998	1567547	2314096	189174	393774	160078	1441219	422135	792355	448371	607107	885109	630359	1497492	2734424	1113621	6112029	1857317	311919	3884988	2943570	5638302	995178	1527349	861095	2610788	5526314	494910	3064016	4472131	1438217	927488	968261	166851	5581978	2916043	5506447	4787396	3611087	2235276	3704096	4086213	325236	211092	2027936	3622579	1893753	8427919	1200234	744050	3588696	2100186
4-hydroxybenzoate	116957			625569	1078420			3189897	693538	2247491	325615	8310674	441337	586713	932028	385593	711906		1396470	1451401	3136322		460902	3293766			15000994		123768	7803275	739828		367579	218640	8262380	818640			212623			7466569			11169053	512426	6957503	1508430	6788139		591573	8631428	955191	612081	1568120						513493	2119705	5246172		1242543		910960	496785	737771		1141580	3551233	2980012	489699	1007774	806999	849114	3869066	2515594	1302088	1432511			391241			1135191	3312225	5889415			426859			3633564	2428528	2907195	2480328	6726630		10596144	3629619	2955407	363215	451791	3761176	4726762			2715426	872599	1012460	21778501	510761	1706042	13386388	616619	4824760	4455550			1173386	532493	2758420	2506227	2029614	1150956	468681	3289467	875596	806602	8360314	1349212	9037915		7653308	12773436	3088742	640586	853457	6801303	1995623	8851065	866224	3527942		1121783	8413179	532021	8831308	13577665	627052	1320535		1200761	2573543		424842	912308	1695621	6703440	934380	1597819	809037	1411039		1571526	5998898	10375975		2388376	1571414		2103859			
adipate (C6-DC)	574384787	13824760	18175418	21521390	4599674	13118854	2997238	5385830	1356050	5660126	4272857	799891	2540891	15068529	7705379	10756056	6635441	2325066	8765270	3644722	3446825	19530885	18059472	14399754	16180622	12918088	11214762	18479725	13848557	11264251	21081441	8492160	20455976	11332698	3811830	4598475	2026996	3350426	7356018	10002643	11459725	3888588493	5536060	10180079	6735363	5641958	6249034	3419427	2811835	6827933	7597257	3566664	4536928	12608400	9635467	5705121	10500233	291602770	5013559	12552667	6089093	2908044	3299492	11513285	7676480	5712061	11746284	6696267	5978223	4102745	10833425	1572255	2555324	3259755	2708615	4688938	5706860	2543364	16287470	8813000	9761111	20071702	24716483	13638123	7411209	10892705	12884769	3089542	1774974	55179195	19702248	6653533	21164668	27088556	3094614	6337273	2231686	1548635	3804060	19409777	14728137	11145345	2621249	12189808	15350216	9314944	7181821	3021207	11427241	3616737	2385623	2816224	2057011	6619263	1571079	29793580	3128257	8914551	4471163	2585572	2609416	8648398	17398410	24840979	3099976004	7294205	3325216	11912779	3922780	3799176	12727614	2170010	5111910	1126975	1529569	11610317	5224467	1928638	2157210	4003752	2419000	6772014	2623098	7651645	4219998	4411744	6025079	856260	1834532		2916185	2837779	2220637	2228018	3679416	10439388	2999821	21842812	12745362	26629075	19796047	22160797	10053560	9585533	3161310	10036928	4886235	1426485	6588817	11492628	7350192	6291898	7555637	5150228	5719544	15353892	1794547
3-methyl-2-oxobutyrate	720278	1555359	788636	2033395	12134515	862240	3324738	314452	292111	2838601	1001314	710115	4085035	2657276	1845402	1020238	476221	6501511	7326723	921577	1901778	3188762	900270	988841	926161	1839833	2658363	910614	398251	1182292	8782481	431694	11362258	4732543	1108570	8648045	4108808	3659153	4081597	4108260	12037349	5517149	5603115	3203479	788893	7501708	1817590	8041224	2768863	15461207	4968497	1996256	3757684	10478603	3782875	12424099	1729722	5062567	2402537	5556111	1268753	2743074	2655165	2495721	10518915	3691767	3092739	11492670	23013679	2490067	2589087	9035968	2739588	9551611	2812920	3440705	8104388	5309910	777573	6058792	10253528	11686275	4212115	3862507	3279134	2360684	1343418	918600	1324229	8068054	6378704	5467779	4207274	9581105	1739362	4146147	507906	1166630	8642864	12151759	3492534	4400252	3867820	2298580	2779659	4375064	2367629	686185	4327580	385520	3339208	4918070	1481919	2313663	1702181	842546	1993503	2767394	1836834	6760805	2838352	10838309	8636979	16623304	2554694	1201487	8049909	21623361	673280	2427165	6157581	6722830	2797551	5704717	1236000	6355742	4814099	7767786	5825025	3461000	2182925	1592761	519341	12012239	6064049	4707123	1697256	18957958	1622899	5534126	1794751	1475403	3501111	3427776	3946061	2855311	4030012	5696163	1466515	2444598	3134987	3193779	9442334	6131084	1911610	1675677	3375965	2375047	620289	2500189	1847010	2048052	704877	1151225	4277784	13838738	27262184
N-acetylglycine	317128	259525	379503	1905456	2376074	418958	670542	642341	21120649	1232863	2808298	18886333	2594883	805848	1757711	675018	1433162	2001809	313010		1103410	894329	707663	687467	400541	473132	2224381	393552	467021	1431686	14569674	435388	35393392	1431215	4189039	2933091	474792	291876	451701	798420	538616	593033	364763	497025	42737367	497253	1383870	508714	1463082	846442	537943	645868	930119	506637	246623	1453897	588095	855788	422920	1330707	513864	452689	792711	231927	1571072	436370	2400316	896316	9042857	488468	330677	447425	844870	1079907	574219	393801	815074	1681942	213182	685572	1000953	937988	710887	870468	526734	1108421	443600	560894	2754234	2943308	407376	1223741	577217	1378356	7314085	2605925	13123356	1677546	2498956	1229144	814919	441703	4905661	1139457	571012	7063303	4467101	1179037	1149241	1142382	1323593	892287	5478940	518699	1425678	4192715	543849	481118	683834	680642	463373	1061313	1147307	714210	515258	1738930	4553707	1349457	6181498	609541	1286663	891452	597648	5189574	897195	1469089	582831	2620444	1422771	1076099	1438801	824782	773635	503820	1873624	4380877	476382	2166242	415605	740619	1192856	553711	2545953	571897	804897	332220	394890	510731	636059	797719	2905820	759362	768441	962040	644991	955001	3028059	788688	428737	471110	645188	503442	3608373	713801	919927	836316	1743294
ribonate	1740763	1364837	710483	4130378	2940935	1290863	3326767	2801520	9831368	2941672	7822858	41438106	4613932	4886972	6541722	8016429	4878319	4061772	5007347	9037751	1842689	1478259	2089184	1777264	3788621	2828739	20429990	7405659	84062638	10819440	7241114	2281690	3341344	1762811	29893244	5062358	961660	514485	7660912	1718535	1170226	1856647	601779	1194104	110054943	1337284	7722143	2358232	12990301	899133	726935	1161349	608799	1379711	324394	1926191	1282320	2841796	4319077	6713136	1289510	2262269	1364608	1184711	2597684	1007418	3221485	696859	3571219	643078	657652	3232853	98491313	5385370	5103006	6940953	1372655	7875714	782444			1689809	1711488	1659780	2806712	3420918	26891048	11315283	34560376	2241277	3829095	1397618	1199620	2804161	235800232	2418639	55776223	96383831	5651986	1961593	9026593	1668056	36124995	1864326	1560159	219827596	2655630	2157027	1513232	5831651	1834653	2554205	133629376	1038182	42714664	43748120		833866	705501	1639201	861614	1316885	2245444	3436679	6277708	5042807	33464829		8904898	5878637	48309449	21878906	230078761	34965678	61419436	20175623	57265384	9975081	1738691	4686113	30298488	2197575	140805782	1388669	3584774	4288228	3778521	113362833	1306861	27131053	22074963	6313357	57537051	2434103	3568824	2166199	1075817	3754088	1416183	8957771	14880275	3079282	948234	3928761	2212807		4688668	6619049	44499791	2351690	3612073	835163	3298646	961673	5552604	3360542	1812844
threonate	7442141	10590728	6337996	27917279	8939148	28888242	11132766	43549987	27135325	11152463	50952127	51791464	48548416	24313660	26847626	36760719	21321479	20212868	13515400	9363274	43076888	5006328	13926929	13761480	14954766	15216838	34104516	24675682	23895949	27711984	13662173	13921353	11785764	16620176	110441746	14025086	3381511	3018997	15165008	3884669	16293107	12560827	2106164	6645992	17545140	10723990	16474459	18351362	20605347	2159344	1477332	5834931	2920062	4723811	805005	3194620	3349839	5097834	1491892	26722523	5821211	17525710	36211910	3923008	15775010	2857039	12216574	3162462	3949322	3718870	3160862	3730436	32658948	16329016	4178557	18548977	4458371	12799895	8272152	11977251	13640131	6152735	7321928	9160945	9945515	9147829	33301450	46417152	102967672	16855394	19525066	3309021	11306824	8403482	59465007	9719447	34464401	281082555	17329007	7842569	16312987	2129779	8893561	10591167	9371232	37143256	6806753	16542102	10178126	17280652	8091961	10300968	157552607	6776769	15187810	65500141	18605311	2978547	6087284	6163293	11307471	35895908	11564107	19832472	29345682	64414643	126515580	11528996	17358462	8541618	8515232	17216056	14758930	47084036	4606946	49781858	15206135	43731242	8559657	12062517	28254900	15596103	60572096	9557019	38402625	28334917	6968269	602715205	18717778	10295783	75822800	16568687	10811834	11448668	10274308	6684736	7664084	28917021	14983634	47014973	52824763	19669363	3245160	36884318	17853402	9035567	14197325	22735370	32286144	9305398	8753060	14651363	5920273	7437984	14354948	19529729	10474068
galactonate		233504	187019	3256084	388972	439959	2732399	921729	21959922		1515584	11392773	455152	2485140	2445140	596550	799604	421083	1304299	357668	1137814	1556004	944414	713553	572570	1102115	2311724	614711	1829596	2684170	830376	341151	339208	122365	3775987	978676			501171	222394	1278187	2265880	108766	375204	2681091	5721796	2079642		1440582	357602	370378	521685	339734	183001		551941	722215	1136362	172154		846757	4681446	1886699	265999	12989438	317571	511566	373283	851366	1711834	455312	512758	6531262	292281	1045113	722829	365637	1109796		371123			485327	297981	1192830	1450121	1114304	4604554	39851398	373191	2510501		746287	379291	2953307	626680	2209309	47941861	2069422	1334219	1280821	280430	3612563	386530	1040544	3455995	1258065		413239	2102449	2585775	535563	63511047	111176	979367	3525566	233856	1237330		242097	143334	1258046	856133	972377	1224094	11973273	3093347	146619	764899	694522	1892795	748371	479132	5504918	186680	1544139	1115057	1787602		506925	5328199	1194375	6151440	590759	2068125	5739403	779744	940115532	2615520	5291102	3150159	2255144	1627709	67235	374356		1567600	1433561	323585		6245064	2772106	192234	1525337	3075677	263043	223073	4842173	337390	244998	2579051	1093890	643511	255636	1330500	1451313	
gamma-glutamylvaline			89504	200672	218414	89466	162286			106248			157374	62698	138725			187388	233388	135304	150687			233560		181329		271972		414458	981168		938776	85422	140145	781361		173199	285313	356341			258015	216097		516433	261320	306084	159961	481872	287274	321762	195654	289038		473199	190622	370806	115665	486765	182437	530220	389948		696941		445447	675559	735635				196950	198982			339262			219756		617978	456267		318236		319491			556427		631267	596574	497224		152998			484126	309859		507573	226377		263233		427879	259885	157012		320663	659191	306994		446268	250524	159781	245723	313515		205700	1024670	825634	638734			522295	281787	534539	163319	824990	229750	295761	336544	947917	452152	166753	770509				523374		322323	336847		313866				541522	418369	115464	127160		138676	378359	192727	289623	535906	441744	534126	392077	1222454	474211		239434					551377	200392		162691		85362
3-hydroxysuberate	1308004	1081949	1187713	2755853	1812645	4856035	3279598	3789910	1452831	1217334	5312696	754811	1215061	4607600	2275397	4006843	1588826	1392391	1091414	837596	3067762	5629218	3371387	3648311	2990271	2052303	1185429	2191698	1836592	1448247		148834	2038769	700153	754267	1199698	1275485	1933576	1289364	5335607	5060842	4896985	1181384	2258334	3217615	2845289	1425444	2471672	2464639	1873097	2499906	1738571	1846700	2525179	1242657	3332934	3571378	2575257	1455405	3287635	1670060	4533075	3322969	1749652	392443	1785229	359326	1315013	2307690	1567689	1241235	545759	2190290	1313563	1814998	588896	1164009	1256836	1474239	2075812	1879639	2629201	948175	2499835	2340161	412258	1915391	1791662	2925348	2507490	2241949	3248843	2638507	2675436	490528	591112	5854129	2993879	3182132	1644798	2973839	754855	1818349	2472086	3073191	1736476	2352899	2217445	1968133	1084622	1154038	1439081	1179351	1718461	1583579	999875	3449405	1903302	1304436	1005395	894290	1816643	1315458	149659	1979851	1075945	692209	1202499	1045225	1064280	1696417	1065547	2497052	3225856	1460248	902531	999726	757153	850553	2019460	3322399	4808715	3083015	193378	2408159	2705699	298202	966555	1603953	388618	753603	1700232	1576672	816001	2046211	718230	1763477	580024	2039915	3945556	2656482	2930324	89223	1771822	1592441	454733	1727845	900682	1806033	430340	5126011	2452397	1982842	588493	1860029	1814921	485045
3-hydroxysebacate	369365	568931	770494	1228066	1083967	1476489	925112	781773	485790	521461	724714	406182	320116	569446	294113	954322	339063	620676	194679	482871	769131	879463	1113182	702626	880771	678458	458480	1755528	1426780	861533	962955	175285	1048998	640239	867162	469303	840645	453860	892298	693527	846124	569983	581921	1814612	768229	685227	464354	743565	373248	955336	840939	915003	477227	1315605	289544	879864	1358209	670978	428773	1247684	710491	474350	1186641	882903	193818	2524049	419389	570156	304526	274294	195859	377680	870303	2593661	848364	259576	360732	310697	428748	1100238	1204278	1061569	715644	681253	1269707	327253	607860	839905	383038	1573265	433751	763438	867090	1084690	313898	332236	554370	453878	660205	630626	387428	210378	698970	1207555	1446318	761765	1391286	1036417	471643	288603	489449	700770	354039	735330	880158	1000358	758949	511045	495937	866054	294128	1646978	178209	1437550	925096	756070	623059	840526	890992	1056520	784451	208025	2672684	307576	1236876	682885	203909	254153	255479	727659	886398	801008	747149	439440	980477	873273	381737	671664	833387	278834	619140	360669	493439	408930	1075923	378652	832151	421611	603717	511346	1082063	694465	105266	894048	548089	177211	590820	770472	411583	509185	1071354	528718	1052538	337372	493204	668915	544514
propionylglycine			102321	533124	958111	95539	131008	115388	10193633	349742	217808	2935670	2216704	210492	821462	305867	943812	1110289			471232	270534		288200	193862		117329			379694	3972926		15911419	372358	196436	2527472		174321	394692	117013	141147	100197	174522	191400	2308160	146909	325009	191335	161243	340887	101027	207486	682850	208864	86504	471350	131086	306522	111856	223504	121528	147031	226662	68387	478369	117736	698021	382681	6073128	137284		130106	158265	518225	299915	150224	105953	294316		461716	854126	337678	240731	230143	156326	238890	300020		1368618	1205835	246524	473588	184653	424241	2521168	839772	842898	108390	1035822	198830		256581	1572631	243217	156344	1184853	2193587	111391	161117	307365	338911	331644		413053	187709	491715		250543	230287	280174	78722	160586	284551	328322		157581	1110058	647387	445599		171398	505119	107823	2064417		262912	189503	360594	285198	364608	343575	376460	184720		699537	247839		258835	73291	230659		159638	648862	536919	226632	97357		251321	193398	168821	696823	318636	248598	114930	85285	849156	1948701			399462	252175		701632		473311	491514	1928676
2-hydroxyadipate	1502050	1884522	1386832	3693158	1495557	3564195	6010886	2986874	24595136		3303025	14196499	556448	3274407	11441351	1724723	4319121	964339	12328748	11940569	21664243	4290269	4101413	2508060	1443396	1790352	18979166	7163774	8186370	6898901	4889576	1899132	3141978	1904954	16459493	5583898	8362691	1047452	1075489	3010477	10033544	10183059	2753733	4610963	13247797	3768875	22767080	4592743	27531463	3029901	1268110	12054607	1057811	2799640	658780	939595	744075	3430302	1700046	2087527	737478	1665128	7453820	2347195	2927287	1323630	3379343	1167052	2737767	8642735		7037333	28375768	4621006	4646687	10677874	1468591	6646189	744195	2125857	2072528	3590348	3706184	1465588	4383652	3318209	9253015	21235695	36449771	9056667	5979486	788825	1978460	8461460	23643824	14613462	21871970	28271869	13844498	4276286	6594106		20145336	7031373	4370955	20987568	4308988	7652035	4298793	7305184	653602	4537525	48607725	721280	16775109	14015176	13019156	3324471	1637673	6838549	1226240	1371452	11580110	7028045	28817618	14223483	6682746	3252574	18081596		9483828	7647251	26528012	16598774	15409691		6968768	4950432	2316285		31098344	7008082	27621623	1930094	6058366	4159357	1047629	5816633	4502299	3238996	21966331	4540283	27117422	3226303	6445766	874675	905986	2666706	2660037	4495847			1495200	5080060	6213228	3056066	4465599	41030313	13864658	3682907	3656513	4764953	1418503	2065570	11069139	4026462	
N-acetylthreonine	1300661	2176845	2325798	4151006	5836977	6751162	11313629	14015894	26624538	30422329	8483209	8209917	6690416	4636092	4807055	10512955	4048808	8487420	8324505	5939017	4720100	5090851	26953607	6614421	3368226	3281367	8069542	10394769	9830451	16997665	11743719	895022	37220573	3091465	9293751	33641663	1024123	1868087	3089097	3399430	26456603	3643249	1948238	3186998	38466991	49873325	18758373	8186254	17653184	6926930	1859419	9270538	3226097	7439599	14997173	4188864	3772406	3650643	2224098	8273001	3231962	7835609	10524915	5754720	2070103	1817121	6363888	4271679	5290617	21052283	8534142	4486695	5028092	5983494	3782060	3154847	2925532	7853179	5835331	2035315	2732934	5713815	6135090	8235928	5062179	3263352	4634232	8332931	12877147	3971706	1121703	3483173	2972086	3175590	8820773	9199116	27140392	16710752	9809983	4752260	4989996	2635668	22648675	5338857	3175450	9670102	3734516	9980830	4558680	8251607	3125234	2703620	25470907	1776680	9497751	10425168	4880906	2567250	5287659	3838064	3002386	3906948	6190186	4398435	7880429	8634216	6374772	4882890	17307085	5974051	10254040	12963485	42557932	13282033	1704545	22555383	8536231	18291987	8331760	11846583	4180900	4184988	22075862	4154703	6793766	13243594	2982070	10581125	19798945	6915642	31319550	3519047	25122002	2050585	4716616	3106981	2030540	3637567	2731778	31911179	33465913	11246087	2719344	11921082	5778856	3495531	6185419	26784220	9441562	15481483	12141984	6543476	9356950	6048522	4410411	3287584	4350903
alpha-hydroxyisovalerate	2963190	10733356	6977802	9669727	6250457	887760	1546712	3316982	88789639	24173415	5536244	20342830	9437661	8530832	25899780	4251683	3727789	14580987	19202983	32017998	4293621	2834010	1120380	2004379	5794156	2588701	11890184	6973139	10335844	24312968	127539445	1054199	205543798	39013176	26339145	164195463	840938	1631290	2955578	6529708	7737608	4666400	1369717	2534775	18128844	6230920	9836365	14216322	366216108	12518483	2257304	2206318	17788490	4634404	3109823	12257726	2726346	9185725	1707388	9062354	10074719	2718384	18225257	1267259	4410972	1127792	5376197	8637502	34202141	16948585	13057621	18484239	36947542	13178882	4452570	4394594	6016718	16800427	1047702	12194328	13787680	3806767	2211859	8810829	2203958	3443449	3514819	3819710	29876183	3486811	4575678	2777901	1212878	7830861	58168165	10393706	66125884	5851091	22346423	15309167	393217559	15956308	124774782	13987487	2036176	34195280	3098255	18826420	4063070	11920406	7195031	37838320	39686739	1060787	13135968	37628085	5236500	2003454	17417487	1807947	3005532	5172849	9102025	3545492	3489494	143623814	75910362	15204623	58461364	8515884	15480451	5568114	6923834	60656555	10530274	15497223	8417308	20653137	2881559	14172243	27257633	2828243	18440344	2206216	17963553	13528221	1372692	265241481	40943936	58370970	26226560	1554137	28300081	2415430	2724474	5431515	951139	2594723	1734308	14967244	74579269	11503617	4482438	13026539	5677555	8707114	3749714	14006180	64375313	2323095	7803298	24353749	4431588	1659048	12675487	3306542	22316571
erythronate*	43544422	43666958	34465808	184042347	57745365	189386449	170456378	166234909	110716770	53959091	437914590	138551390	174405276	107106549	89869974	216489978	267502521	228192478	106434900	38693224	132047393	30867865	91635215	100182179	146668904	121981134	111521743	75932338	74411530	79850053	171066255	75056458	75737119	59167476	218353288	349129123	11592985	11675132	20550771	20439663	18106645	32571244	7970850	19861662	31328572	28941312	36852277	14758859	26727955	15798783	8567519	38563927	11930687	28660749	1532289	13047390	27418918	28109502	7388812	36298123	11464588	30824295	31867237	29261672	52363041	26894099	115751620	14030294	38159559	9917067	5479099	13274838	59680145	59538775	38718306	64921440	17574283	41214479	11950414	29610145	30074450	24922435	24147938	36399998	54755787	62542401	97176769	110542649	88604142	39012998	27947198	23251276	28660714	65947967	388134384	29305300	80969911	72259345	86498007	71287724	74610010	21627103	27006905	29859410	50936980	83579521	49458305	47895221	60010632	49028306	38868363	77900210	257958246	43217000	134239362	147719827	36216585	29730290	38032397	55981660	92922368	184638959	155509386	67557787	67520449	56514837	199613804	41383853	53110215	43664373	90631513	117649159	43009906	156761685	45455570	76202002	213518423	149041908	52426408	53354275	167690747	123057440	316581806	45620450	81350013	64178769	64048180	177464694	118859851	40397583	185469643	84752501	34953487	31839418	67936899	22095106	39285392	69938812	47873213	109180833	122940951	117645938	32371832	213014245	76314679	60283814	53775400	47343853	61069108	55564913	45002221	64895273	47803223	32217122	41561839	32919228	46908451
5-acetylamino-6-formylamino-3-methyluracil						207076	550308			174531	212424	285521			51000		658942	65826			53033											127785			848661				197903				173387	156719	783436		224021	216744	445242									338616			1340409	206678	132049	482772		703835												286494				326785	408400	744084	706496	635219	313089	834964	409610	750212						1946292		785249	126278					619654		723739			331582	149527	632207															793050	331991							289199								487417				152915					564094	609458				162771	190301	357694			359178	91567					333753							269963	188570		
5-acetylamino-6-amino-3-methyluracil	1125327	566305	2351054	1643407	1213423	6329962	1873055	1636579		1499094	2542119		118048	717563	482409	542368	1843953	449131	422110	145683		834382		2300648	3271413	1277668			181926	560660	6008451			463084	1563368	245908		996900	2921375	508447			23747027	797740	1145825		1330710	565777	1309276		1642054		506541	321343	581188			6683061	6255890		28765033	836933	620319	6401375		5582628	480896	3425795		1005340	1240303			776062	1128151		1261054	845057	190458	1261199	1381912	6367049	3145580	15281636	3420229	2736744	5188024	7614445	1041399	7652576	182555	1522054	1414847	661352	455767	4531725	148107	2762296	1077064			1054383		628822	504743	1896280	728670	1072565	3474950	905906	9948460	6342538		2263268	494147	164699		1126567	214231		1732237	133693				842029	1427020			1829101			363337		1576144		95773	306360	655768	170752		635554		1930796		698077	1610604				5478688	4206239			1978181	3722321	9920660	3271495		627207	1389633	396341	1383161	98124	456290	604747	1583571		262575	2253593		1228974	1232570	1723375	2138370	2507358	
gulonate*		243400	162197	350558	624956	722779	1795976	1464978	865987	459462	1063011	9747468	348620		1232217	341755	397761		1983817	534050	256782	476219		1107985	796569	3178315	3906711	269821	1837043	2025432	865750				4487270	1089018		216893	290669	641074	467807	337745		193256	5023407	1201026	3173646	377508	8844228					253244	94157	235618	248048	228895		584189	76978	1424649	895798	173152	532917	411573						310520	515348		132056	220622		254828		201185	157870				443270	559700	9306051	1484135	4332478	724004	461419			479029	57676823	387361	3364359	6483110	1101685	969656	1883647	307370	262590		438076	4260399		503493	118533			772232	28761966		897950	965699	284046	357570		309609		882167	353206	2506855	1655539	3696029	5660778	195749	1467070	822332	360204	145471	349877	2253402	240733	2211949	450689	337813	206854		18124656	1224622	4074569		312242	1435369	420536	66102154	513841	608490	2546576	4582156	1060052	81124	470560		705134	758300	124261	2480600	2470264	559745		686183	281027	199455		517114	666184		275748	95195			207522	229443	349741
cholesterol sulfate	20601654	34141809	27125597	42932684	42646176	67747113	15426246	15531705	13021828	15717139	11448738	6146229	36172773	24134797	6403125	35377246	16014827	16245558	46837113	33876445	39573014	37341859	33350115	34427092	28779256	20864917	13100816	17017438	19294187	22943391	33451584	33389428	35345533	23943489	15342883	20480960	39492995	28829640	41136383	35242325	44026725	24098621	44944544	51126623	30268038	25223485	11997605	22792555	15781960	34325151	26888281	26034256	20375126	32979013	37506582	39356946	38100389	34728054	45837825	25178356	41600318	15704570	20959607	32071670	11475306	29304539	13008707	43667749	40280395	26221099	25883312	14752192	14709788	38334182	22200634	21023728	21689489	41749236	47465015	49997781	56766762	41389969	38271394	46445671	18358747	34616770	20307294	45135680	27262253	34079819	42270318	45602514	47385632	27539297	11106682	13096117	24613571	5987494	46390025	11717795	12999922	35506664	35695999	33209445	28887386	14999993	22590573	27898694	35589431	18265360	39209988	35863561	14304671	54767187	12163028	14467296	21231521	48570223	40040690	25477605	32037490	30458136	36796688	21792794	26526584	33854414	47391106	53048696	21621321	23154365	9326368	19672715	29750031	3931008	32696525	23254229	6889725	24772097	39781201	24203629	26478754	10712289	6741715	24702867	28925543	19052537	31221598	15497382	28617663	7864626	15325120	33782207	17015995	43252242	29702900	51275699	31381544	22969003	49942617	14007570	16754395	27843582	30140046	14091365	15778183	45068232	50318448	20207605	18957280	43488202	30331028	16903829	36537603	28316067	31823007	42510243	57652432
glycerophosphoglycerol	499744	729506	500612	3941986	657413	5692505	1288462	1332648	751149	2896114	5749335	5098275	1168646	952557	20259503	2351832	2190747	1903892	2149867	922718	2033642	470691	519464	1180580	1109370	2182120	2532212	339434	993534	2536609	719886	1534439	626166	564756	2723010	1518185	603203	2288499	1652878	2074738	4279833	3305348	857195	4209349	6423170	2176278	2418837	2260449	9184098	2594670	1342817	2350822	1975236	2545113	401398	864118	1912116	2042081	683850	22651224	994171	7309875	3987411	1679005	4609636	1980703	4914294	1068864	309838	681471	662016	488431	23614025	1228831	1161831	3042667	733564	4091060	317877	693490	646227	1403516	2036446	1490860	2115750	1706600	1910713	2474223	6765542	2370343	1744721	1429755	1320459	2174540	1655951	2230137	2866709	15420519	1686292	630558	2187862	1362636	2284184	993143	1490958	4034766	1361762	3468120	1832371	4762943	1109625	1720239	7329803	544588	1640515	5071821	1971524	1611206	1157072	2530546	939205	497999	3239096	2693868	1856911	6093020	1455619	419864	2740158	2526264	7805143	864414	1418815	22321503	649282	3744175	4186028	1488475	1456504	4303193	1659985	2242287	5274373	795825	1713066	2884771	1387865	32683877	13735664	6949995	2660134	3618754	3870554	1711255	1177460	948429	3543485	1497569	2976230	1394394	1479604	1193311	612886	1398821	3856906	666255	1437625	1756583	2448903	1627772	2643041	3153674	1990326	1020189	1370506	2192599	806005
4-hydroxycinnamate	314708	344396	701794	546026	487306	666404	1474621	2446016	1382948	4145979	442396	2592067	1038730	1961162	3474790	560042	1414564	1555864	1498012	595667	2797672	1638675	1666483	7415118	603432	1390318	4730493	658571	1255497	2587575		151339			1424610	294225	1780342	393967	892424	398839	886159	3133551	867348	1827057	1381170	2390738	4737370	3081935	14498650	1821688	1023393	6268510	20362916	486298	2294427	452684	568875	2704126	1857403	1463751	2211372	5887357	9575577	360730	2138928	1644541	484540	647578	2861690	406215	1961871	721812	2797999	663197	361630	2585081	1653175	4486945	882427	1866869	943156	1821237	407020	245339	2726462	1096477	353091	460244	1305380	934765	4445595	105266	590102	1429238	7573740	1302054	395549	5572648	1206988	657466	591795	1081433		673741	477164	1740835	908989		1859120	2220130	10589095	458528	2891457	316040	429594	2681834	628546	954364	10258307	1499588	20296200	2166770	3963766	2414085	10116325	1634665	1996719	802102	2366447	846390	1810652	935887	2551992	2948756	8736642	9433829	926067	1787725	604929	4502629	3777655	2413854	5516190	878932	2463334	2622242	1022785	231972	3137837	3069990	4091770	563126	1055072	634479	689410	1365480	578978	938031	1260691	4176010	7118768	1559597	500482	1805944	2135469	460075	591716	2263529	2109750	6425358	4391092	756443	2267172	2150971	1476077	986381	2275983
3-dehydroshikimate	110035	71455		299006			1222341	77528	1754186	139367		3089159		142573	5576615		205670		203621	322037		129750		118594		217902	785280	215162	176599	193932		265815	81749	75581	1704334					650821	646837	981379				549271	1224979	270440	2383876	131335	244349		140664	245438	226728	112343	357352	403568		1373393		752600	679859	107493	184273	604643	166183	80896	344349	249202	201786	656902	5773126	380608	1918057	876749	166438	704543		49277					393559	139381			1131861		565280	139419	276672	94085	2235665	129704	1130095	8109336	84713	2658798	2664300	227850	1872176		127973	4939848	301098	1236248	1019722	996176	1994742		2920184		507064	619259		161598		401220	266978	1586089		204106	2047189	2065336	1974824	131595	497152	146883	2158976	178495		10087084	106111	738983	267153		447473		627580	365619	1287337	2934695	5590024	1618047	173193	4605485	429497	5762750	909356	237160	3389944	82561	176380	41677	161225	1214099	318336		2611055	559696	248427	222855	230039		339435	13455905	428018	120770	168634	3002209	99254	361583	130305	420524	299834
N2-acetyllysine	1436840	4639678	1753961	2205867	1288097	3618545	3615905	4940640	1431592	2910783	4474896	658346	3878979	5165904	1173485	6009530	3074289	6327546	3752618	1624858	3144844	1449232	967047	4500264	2427767	5299586	3598806	2414075	2866468	8613012	4919977	2743217	6704755	2522875	2788092	5736565	3754551	5058551	4073330	6498181	3467872	3219797	5147052	5007393	1139306	3908439	2985369	4253506	945154	4256239	2942086	2828414	3692243	6255402	1003262	5670880	4271319	4612318	3484096	3035681	4556456	1727804	591752	3573155	1635674	3077903	2778598	4784219	4093046	1467887	1284496	3372131	3704790	8734778	5144982	3676909	4243284	2267878	1444315	3201951	3053945	4443778	6682221	6942593	5300881	4490840	3003534	1722142	2425061	7241015	2857399	4730648	3786657	6413970	2389275	1795891	4622963	1560156	3715014	4192482	1233121	2341446	1415852	2908178	8961681	3243169	7022505	1653552	6674399	2839839	4177524	5524837	1389232	2589370	8576446	5319926	10316342	5222125	2007287	7810800	2782361	4569154	6208782	6458675	7317430	5287978	7357960	4066528	4048778	3927600	3666483	4224400	3280907	3265204	6959501	10681594	1914931	2880294	6129686	3644340	2100583	8238380	1916293	3955922	5647266	5053744	4915250	1115539	4690718	1928141	10519775	3283435	9522931	5092648	4663287	3909112	4729956	4753853	4224609	14050344	5999161	4905624	2970568	7751201	4594510	3362170	5950613	3467134	2419566	3794741	2778989	7841934	10223800	10869082	8724498	2777845	4147333
3,4-dihydroxybutyrate	1445429	2278635	1146823	4959145	3016677	4012834	2746277	3528085	17636779	2022848	4802051	4954876	1513236	2934594	5859129	5425578	3895272	1515719	3640601	2307487	2452679	1624628	1587455	2025351	1591897	1469871	4913161	1135178	2561871	3167908	2932198	3265170	992984	1530277	9136586	4420935	1056900	554257	1639484	1542436	1015012	2615237	442900	1046661	2447451	1067970	2064403	1827407	3523561	640072	467397	749676	523019	1119108	390561	1091609	959050	981141	811602	1003464	1358519	2029683	5660780	1208387	1158209	1046764	3030256	678920	1019622	1168099	521249	736297	4711575	5670102	2688027	1580755	753061	3071552	1066756	1905275	1476045	719893	1251008	1233858	1658278	1075690	3013113	3306070	6925486	2089240	1090353	587493	496930	1090992	7196930	2528575	4787892	6084801	2092104	582784	5955828	966168	5231910	1923054	1660487	8517127	1809619	5348200	660382	2611781	919938	878481	12167957	1484502	1693434	3889969	1809213	1736044	940631	1217510	272639	1741122	2700923	3055453	1854055	3636708	2812521	1533445	5253242	1363507	1009337	3221293	2217055	12529701	2432595	3274169	2188690	3409017	2147053	2046265	8745416	1745816	5072724	1107475	2426865	1448550	1661958	3209213	922615	1459967	7891000	3105257	3165505	1023328	1476398	1242323	964523	1501177	3096860	4051210	1669618	5125823	1907397	1354337	1226546	695038	2121372	2829982	2034834	1422729	2543292	3696800	1183645	595018	3593867	2885739	2606400
N6-acetyllysine	545766	572953	674850	969089	741837	1400537	1984648	1857219	778329	1759461	1510423	293900	1246698	1871389	1727722	2549277	1294102	1643302	1045975	468070	1559284	819317	463199	1292784	624521	1635736	1627167	914784	973589	2492627	4019206	1153715	4397873	1519912	934768	2808847	1069971	1082414	1305975	1704887	2248758	2594982	1440145	2553809	1051470	1737764	1795908	3571670	875159	1671607	1066037	1279984	1699819	3267747	523276	1982600	1223083	1751015	1286336	2452327	998660	1024964	999648	1204042	1145920	1027851	912716	8929513	1851318	1442184	1678849	1187290	1248992	3171529	1151324	937954	1477834	1173399	889839	771115	905511	1892216	1823154	1918359	1771304	1189558	1224966	1805187	1353938	1975937	1718382	2015384	1401078	3194987	941839	1611332	861637	806009	1598650	1517359	895679	1120215	910897	1593415	3210600	2368213	3269895	1388814	1294858	684411	1098798	2090593	691863	1012141	2511935	1123903	2707940	2035929	1403126	1845266	1348854	1540406	2629508	2719204	1002766	1181579	1789039	1108147	1077572	2134303	1662619	1805849	2600149	1314176	1467695	4293798	885736	1466091	1559060	1475155	414390	2203409	714661	2504464	1369198	1106919	1495604	876202	1176466	1129522	2572966	1304846	2123357	1462449	1650900	1396356	1407004	1747586	2313180	3021296	1698817	2357687	1048862	2419707	977652	2294288	1986282	1270875	687887	1042804	1418125	2463679	2475416	2558659	2763680	1189001	1780669
mannitol/sorbitol	324189	1483298	232366	5563150	770544	3031388	1040638	2280329	5721918	2724646	3834713	5606813	1875292	3054614	143858519	1876743	2180385	1393943	4193626	858815	1634791	938568	369745	1534933	808772	1133506	5390067	739305	998086	4358869	611569	1326878	2836760	1793070	13193432	1876244	1009931	728969	954929	674768	998571	668357	362870	1402925	11651803	6621640	3588249	1233337	4368896	1412807	1453970	2770588	1596669	2015640	526694	3227869	2167036	1683106	955031	76879087	1815645	2685314	4860234	1514542	4434847	1416559	2835936	1740731	1332038	575173	1948219	813933	58624548	4829755	29063392	1212583	1185197	1524037	1244961	989180	1087742	755505	1700082	1109309	4731053	4623989	2400456	12305434	17210959	1794858	1492377	2187102	1545671	1674214	3573028	1652327	16170917	23746593	12007973	1524160	799987	555262	351058727	1208040	2750394	1938055	2906136	2786412	1355051	1751180	1448434	1647715	34661281	874725	1350415	1177890	1033624	3674906	1622488	1857964	1581598	1252851	1964834	3573361	3388379	597721964	109800396	1084573	3582252	1080702	1759950	2189429	1933094	2889044	782199	7851134	1177384	2467570	821868	33717998	1648348	4411999	8306218	1944902	940186	6230057	2694697	23253393	3447308	123316351	2036621	3361585	2928444	797821	1363657	959587	3016929	3881640	4025618	1473831	9852113	1760488	934844	8243127	12224882	2663782	3362720	2849328	1997678	888271	1688226	2455976	1523572	1116243	1493984	2213951	1772888
3-methyladipate		1137850	1890820			733149	948922	1341790					1277876	629073		1010020		390750			1784051		2310064		3254107	2808011				501701	113559091	5949403		3292557	537990	705413	1255330	1119624	1607335	5336781	2347241					3127979	1624669	1622629			2542090		1329274	1367463	1334595	4076129	3055444	1685284	1612828	3618913		1006546	753387	1569629	2719961	1319121	1913817		3084040	1804529	904553			660854			595881	1256437	797937	763659	1412160	1940328	1050835	2123222		1358112				1576763		1229963		3083285	441382					2124302	3540995	589562	650976	943179	1457502	2206537	2744270	2345265		536914	919420				476237			1019528		1508087	1091828			3301422	1101139							602837		515753		1463572		185289	368746			768708	1711834	587302	2247032	438022	1620443		982277					376303											539776		973373	980760					1141135	363800		293984	627817
N6-carboxyethyllysine		4380719	3848464	762860	195457	181949	1933812	225654	398796	1438552		603936	5288173	739907		652854	618926	1618974	2501380	959627	4538568	238454		3552719		1096433	1682765	4076101	1682169	1576106		4228320	4402546	749513	1385225	3400285	2853320	325718	3824027	848152	619862	119719	289931	362319	433427	300011		237893	1566690	112238		1729413		8918947	736390	332397	193650	155167	302047	175869	1101152	615083	185233	4022101	67609	63696	156376	145498	501124	2130656	3097027	1706330	520422	698382	1571073	2052244	344739	1664512	197181	296795	431456	659871	94061	384174	388496	513834	3564881	3185874	1274793	753807	1435389	89594	131168		1300107	43138	2022348	675368	714593	1882217	349602	2197672	1514324	3336028	184182	2547627		785465	390199	98447	408751	164149	919275	89890	329439	476539	185185	356721	188369	200229	3181972	685545	476048	102103	1781320	1313554	1850823	4833180	603380	2437677	901714	900017	3941712	247600	4687519	390205	229829	1780536	1406422	1552234	1648023	416674	559136	3893205	1563711	93271	451934		1512007	240567	1667956	4995773	2301410	4072984	426663	183351		168795	912165	407049	625347	232366	112858	234926	186614	1865078	4102355	591905	878967	5666135	1124787	1567748	3402494	409420	676172	104283	1187157
N-acetylserine	440543	434680	701930	1709880	3356716	1091692	1580690	1448337	3771373	2520528	1531259	10715565	4504188	2391750	5483416	1626044	2944109	2030159	1260593	1157113	1050914	1597466	987356	1727771	1473921	1299395	2747803	2129635	4030419	8122067	3390303	699341	12223347	1410195	2636122	2547366	1025554	958538	1685227	1439279	1700775	1933418	726275	1351766	10203939	2130584	3943259	3184539	4540589	1874824	1396190	1378525	1196247	1602603	830894	1688571	1763380	1418784	880310	4754659	888187	1920443	1668148	700704	1693796	1318825	3503253	1677567	5953483	1021217	866070	4391393	2567132	2285170	1032828	1542425	1268022	1615144	1040526	1199997	1329153	2277377	2111938	3727672	1942046	2471916	1933775	1936380	3665068	2227956	3166774	1328347	1040691	1777626	4727068	1803455	14421803	10004599	2379302	6899317	9504303	3604973	5688532	1308630	1633772	19406031	2080791	3222512	2150176	2076695	4691719	1657601	18235121	1253484	1998618	4196180	1953047	1828581	3937768	2101667	2020405	2395975	3101776	1984406	3240813	12920561	4335011	1682411	5045470	1853971	2982121	2351764	2070343	3555770	3693923	7771875	3101317	3716027	3120737	1315297	3294911	2026172	4657320	1666807	16470617	6056506	2471460	18377487	2094060	7608423	4700161	5836410	23407878	1263616	1813800	1213716	1642361	2045037	3591132	2907276	2559403	2129314	1847545	3881662	3563624	3847864	6304089	8579977	2066170	1238122	1623611	2260953	2580022	2021805	1471398	1347740	2097600
chiro-inositol				198763		494544	262822	1405679	7598823	5409888	239045									1808996						264085	3252293		240130	9678438	306324		146120												658481				804478					1123638		617772							18058201								541058	1373479	35517611	821096		3707422												6515068	2460317			190440				425282		40553714	245679	285832	2383620	4940889	2104342		289386		214830						2713632		733745										1922405		538519	2610197	820631	716448		359990					480323	535049			553175						208875				3021541	4729220				409525		42066201	2166846		670265				256187		1477220	4873498	603922	1146191							1225697
3,5-dihydroxybenzoic acid	196601	147207	402817	128973	105829	77363	105221	737987		224250		344056	562756			217435	375435	327124	80175		242911	374971		164968	418264	767082	584886	480581		176039	331373			103810	169559	227656	139045		520453	654326	1166404	1543832	298681	242874		221525		286610	391511	484352	358840	414407	304854	140201	375992	377509	220699	137962	334481	605386	364426	339111	473889	384168	203715	116792	322826	204103	282997	250734	255900	564175	262304	163546	90188	229018	234453	136193	323503	186570	223908	209225	139129	164171	89798	261212			211226	101535	136751	182327	101645	401119	175505			168672	57179					135321	447398	502979	120839	667658			54270	158430	103900	392671	171700	288745	418679	372700	479008	892801	336639	92384	172955	453551	462057	81753			61158	161674	303177	299744	88074	113914		161919	129767	306911		165832		49568	76474		586359	559342	462611	166653	636084	275036	200952	1108997	233116	412657	549319	173683	70329	140616		181137		114098	181881	211956	218565	180867	260709	213645	899214	339629		186483	222749	63616	136021		244854
N-acetyl-beta-alanine		527006	241338	782987	375141	348419		883264	1166159	1077644	1697793	493994	272179	117618	1112687	343305	581605	408675	1515533	2402382	445043	130122		1745698		3556788	2328741	3890051	1899751	2728207	625393	253875	557464		3524020	2135751					2094957			239844	2593047	1320950	6342265	2215728	2819467		124959	1614695		889270	150592	257604		590248	567959	2717675	968426	1098748	1552867	538922	257023				618562	303821	1084821	10223967	518440	5783694	1400044	1467744		824069					1236036	1587950	396940	605622	1190025	1334842	1193372	720630				392740	829451	1116301	836024	1026434	1126727	443045	4006317	775603	3317599	2120021	226158	6378965	768702	1386844	853265	1478872	2999609	165629	1300118		1626822	1492583	2331337			984070	928990	439053	484099	228325	2160516	1142972	1234512	240945	1658470	386637	4916841	825314	3563900	742943	1904392	2417612	749608	1817464	482225	2707860	999739	699636	2167827		3053232	1602006	867863	1019709	3767701	1260443	2299035	1263972	3188504		971494			715162	110457	5757391	2984983	1160223		536737	1145308		1126358	8835610	1993976	577391	4145635	1386397	3295641	1239641	1838494	569857	512178
2S,3R-dihydroxybutyrate	1891344	1783248	1679751	1755012	872647	2227731	2285238	1888020	1059356	2006973	3119786	5372536	1389250	1585492	1721597	1466214	2216048	890466	3083582	1458074	1589629	1848764	894445	2218860	2567333	3184806	3938901	2201559	3098091	2957629	1552701	1566486	1654466	1845690	7423723	3121125	1253716	3155111	2645097	4394737	4640340	2282993	815457	1572298	1578388	2666117	1739560	1656826	1620578	2569849	1305866	1809562	534130	2917874	1214950	3027287	1397072	2057137	2624604	2690127	1688530	1462026	1739188	3064196	1400643	4535325	1155689	2764714	1686101	2305297	2033934	2267816	4271189	1731338	2302315	3203101	2022163	1975151	2000206	3507046	4136134	2088978	1716110	1326915	2758648	3821931	2853032	2753950	3020423	3857821	3208484	1706850	2143365	3367008	5561758	1537333	5288023	1962134	3559095	1058419	933659	998294	2135362	2158185	2669894	4786857	2726862	1268530	1681128	1444843	1933422	3616202	2640458	1205125	1802400	2957514	4398748	2261337	1643179	3777736	817895	5607760	2080602	4056752	7134956	2763409	2875117	1933327	1444683	4907746	1872244	2825467	2722435	1146864	1560720	15059107	1531458	1865169	1225931	2322779	7028464	2202244	3371893	1658756	1897725	1536784	1844936	2518382	2052439	1157028	3050469	3225158	2133680	1164483	2621442	1115692	1042634	2095609	1930167	5138748	2529574	2311217	1996299	2661741	1797044	2041224	2470232	3041925	1908535	2057339	2067565	1375017	1080859	799807	2704713	1984401	2651822
2,4-dihydroxybutyrate	980356	2003644	729265	3730602	1731291	1156581	1005799	1257179	60830439	1383535	1328288	96507237	2224858	1376823	8545531	1080229	3016529	1040166	1727734	21147048	1944525	1099104	380633	1383584	1557158	1606475	26754845	4208381	20212837	29507735	2160135	841352	2459069	1345652	28946544	2016417	872380	745921	1855055	1761069	1571149	1371297	658345	1329223	10476932	1192037	27340773	1881682	88602967	450040	978385	828260	430666	1118238	458374	1681239	914007	1913662	734368	2165824	2597561	934033	4822598	984507	1824580	1240343	1751699	635594	1368133	1042451	1303911	12535866	39948551	35179990	44535819	2254674	1146307	8084585	799335	1293427	1387184	1218469	1001201	1111105	1523446	1964920	3339667	5045626	67642294	1472085	2329465	757083	895788	1908407	50986397	1979365	83809893	31012349	11530524	557984	76125636	39526677	28315626	1798976	1504376	44925325	1638125	10586776	1278513	15204693	2172871	1678305	31683108	639522	4742213	18472662	1488009	1404207	870535	1293362	1094445	3289992	1441485	5289536	1799108	31393832	9678434	971158	21997771	24276177	36119939	2722526	5085659	36878767	4725764	66081090	6787267	5574965	878741	1294326	25303110	1477712	2203993	1066869	1717539	8889883	1157286	360275402	1359472	7956419	25665434	6613229	8494952	895570	1484952	932515	950266	1397352	1711649	8050048	51408086	1604030	858261	2384317	1317149	804388	1988880	30048425	72229494	814024	2406848	4483605	1396039	3213868	18887675	1163155	28880299
2R,3R-dihydroxybutyrate	502981	495261	329305	1386559	706867		454484	287845	2965920	1186759	1227605	5686003	691554	899804	1775395	1060700	1347321	401881	1164059	755504	435618	590749		537814	698182	831089	2243691	503000	1380689	2469243	1732449	677763	4363631	959932	11708309	2457128	504360	509368	2081760	812462	1482537	884051	631754	869472	1677852	1229888	1208891	1509165	2014849	805262	999232	351011	188549	1156537		1288552	1475508	879512	407397	1188341	1288107	687485	1176329	550631	2260441	1200259	1400277	584906	1345903	700483	767055	868275	1722799	1414980	1635865	829364	948014	1551707	188431	1370095	1835995	627827	790466	795753	1030872	765747	1005393	861862	3139091	772278	1197651	750654	966969	1061499	7384937	997739	2993006	2223319	1264011	412979	1563467	863720	2208316	1600145	1338132	6957827	2627406	2774319	1091287	853896	1481588	1057705	6659477	401982	1245932	2120076	959649	947894	987233	1004112	390172	3356999	1546635	3016852	1420699	2537096	2633768	529553	2642433	3220127	907819	1613505	2724983	2762829	1923727	7184332	1560929	2389828	1039094	1481894	2514939	1107217	2848440	1005446	823236	1136190	637749	2751087	833750	1323916	2042487	1145306	1407654	713219	1896932	516470	1407962	1392784	684623	1294815	2909533	1377200	1725005	1686661	607953	860062	5950743	1423149	1233145	846029	927025	1081184	549640	667784	4612614	1228756	1345565
2,3-dihydroxyisovalerate	247033	339323	355156	9556171	4653456	192016	3514054	228678	4746089	6160639	2978892	3999615	386249	1237672	1847177	526152	689749	1808144	1516232	132383	113567	2716784	878426	1079115	527159	435800	12721407	1407126	1600518	2819819	786426	223678	1418793	1241688	1845847	1537130			171168	603189	1490581	872091	290480	170212	866913	3026972	2082308	1012411	3567659	718308	485732	628310	748436	1507460	612035	586981	3292006	8380122	623671	5776236	595719	3318765	2323344	214109	897783	1510402	2130683	249544	2979717	2969326	2650885	1126052	11436998	1953159	1224296	1387675	1150190	2740260	181000	898749	999332	305353	2324278	420080	2201040	1515166	477134	449374	3175066	1892764	2758218	504316	2170013	954476	2311916	1282442	742323	777460	2374933	1134352	4820249	3967040	6423895	201992	533128	30101664	713152	2561850	20194848	932550	43488410	736931	5939992	294236	1861676	8505527	783995	670326	608254	1784424	2001620	11096634	471451	915611	6466636	2380749	1460691	478655	3830909	1604950	6310707	5234543	1301400	18279978	242292	4131014	2506256	1983442	4013907	1413463	1901584	12743851	5049992	1810606	19107861	6495674	334697	93219246	4639764	28722629	3796567	841590	1072091	605588	1461092	1570923	649512	1462948	1032772	731659	5287613	1525469	301172	1844468	4752046	394142	1124825	2082494	1085380	652200	657603	7272050	381022	1239867	10621709	673854	4575317
fucitol		77720		415861		451195	256637	509668	2650975	655590	410010	6547447	404209	468009	1842827	433583	436960	399504	623027	285082	458075	297261	288530	383763	158837	282662	467824	733817	937066	737417	686379	383661	676900	168982	1718994	488562	276384	5832920	294590	160849	404500	279175	110928	338211	978242	432856	477625	652771	579955	342065	542961	307217		364335	115380	269247	372339	180028	1452915	444575	175603	327904	469310	373205	635629		1481157		492004	191386	239416	309094	741572	509133	566219	245589	774376	297883		185553		436843	161468	662727	1864473	1256380	982070	1573417	3467318	154689	236212	1731753		257677	309985	332229	553275	3804717	648347	529177	1153766	481354	268710		231858	322722	1713709	300517	1202105	705175	275089	431723	2529957		314784	463922	295107		395321	262914	274825	990852	344446	513485	606401	37094082	324521	753007	556654	2785182	290774	937532	708444	874164	1840093	335407	864685	380239		681594	345353	391393	626155	272144	217964	293767	833987	1291700	330348	2331327	330396	163199	1757606	300779	1925108			344996	332150	593791	797747	248557	379160	1347834	630979		206760	242814	1770021	232544	225518	766852	854913	268113	373269	186728	243176
3-methylglutaconate	3288495	2521484	3852012	2630708	1341520	1660442	2803640	4367806	1827967	4154348	2948427	2008174	2087979	2762616	2006844	3807614	2526379	1937806	3069520	2140814	3437995	4178513	4751842	4406716	4452257	5279261	4080999	4309730	2658003	5332490	12175725	1245916	4966934	3544607	4806430	3706364	905822	2035993	3016944	6070004	4838711	3523750	1708799	4095501	2727541	2636423	4651559	2702857	1966313	3760983	4331935	2935584	2290641	4352954	2427174	4979562	5273485	2857276	3203091	6069341	2676397	1524555	3781004	2964349	2927101	2203153	3529829	2945127	3448521	1879604	2129568	993299	2724333	2525751	2642454	3207272	2174753	2397778	2124725	3435198	3601011	3161627	2314828	3058606	3595978	4004241	2098351	1861332	2000315	4217916	2417397	4965646	3172756	4199168	2186472	1311748	4316200	1914562	3934339	3603406	2132872	1396426	1955439	3709358	6190998	3998857	7398821	3625597	3453831	2188152	2503571	3615232	1845569	3819244	2717894	2483057	3036494	3047496	955851	2508721	2193448	3972967	5907227	5536275	2391728	1485319	1243210	1679864	3795938	4336606	2752889	2720148	2588632	2002231	1350952	5338695	1904782	1943384	1636098	1961009	1644732	2001107	2374012	2647463	4965370	3491886	4345494	1615495	2484970	1458985	6269858	4994263	1543898	2457055	2811024	2870201	1165874	4678982	2065011	8855611	5967647	4430846	5395686	4445259	2407207	3259841	5673064	2352670	5049357	3799269	2447085	2622167	4177233	2089047	2194447	3031169	2981789
3-hydroxyvalerate		652914		2738992	2163154				2652278		415734				443099				1380679	1839879	1197394	608438					1121378	628461	525710	714141	544591		1257546			596323		207359				303694	2083759	816384		530929	1023642			663390	3659751			666387		191170	826695	1565719		724137				587625		781926	892110		1352095	546968		523230	627754	1106102				1664782				237807	1287903	879936		583502	1828526	2003458	1932708		2076957	670453		237185	1244021	1231361				806680			1592462		247081				963365		953313		971898		881345	1088203	883424	1091542			521971	704814	835737	705815	1335618	513869	786609	2391973	897274				616119	1906778					580057	584659	973935	862111	888518			682056			1346858				3790173	485290			565443			576996	808952			651814	768694					500794		1476878	514194	458890	325360		
hydantoin-5-propionate				293453	484729	124949	196692		530788	340151	288103	389175	208157	243404	1094588	458249	529501	1501962	218417	831989		747876	1239727	666714	187600	268220	525290	1204361	2349271	298901	1656422	380061	6952665	246318	1288193	749418	135062	251897	574307	131165	1231488			210938	614212	157417	816954	1202935	324653	585745	308650	190060	132060	284656		304784			376592		397772			219985	261910	246186	212736	300242	653636	97169	140210	1245603	762680	3373606	1677618	399510		226893	908566	138245	249267	307576	248169	4144257	377458	352396	970810	1071668	839384	188002	284399			297385	704887	238028	734204	310005	281551	1717819	399621	572499	2467197	3018038	580059	2597216	485023	226440	733790	225915	523755	2473895	796239	767118	1104461	476920	989736	204756	207654	883124	515339	663206	1707210	311387	591573	3030003	309603	2281335	470417	1348127	410567	199681	1652306		1587324	4303657	114899	444611	279068	537335	577185	288104	266108	779064	670945	463387	172817	240205	1006942	365125	737570	307289	1219706	309463	355739	1354563	209529		529827	310987	575085	563975	329756	227024		919481	3722723	1032489	410510	371994	209901	674282	208900	663441	718957		2785584
homocitrate						159423	3954306	2870377	3127923	442016	564960	765831		770343		290420	597970		9168015						220570	733658	3020560	2115120	2465529	4848284			1088135		1170145	774496					2710888				788716	600342	1050986	1136909	759902					1587169				261699	225132	723934			5246571		99613		422517				186373		578667			397958	435595			787030	802637	557264	371480	307757	939601		424926	443141	634724	1126769	2094863			3441730	315066		2711678	1619526	766364		113547			160667		265373		1832539				310895	249273		231053	141366	140455	492782		849335			4470438	645956	1670880	615535	106124		106245	456369	306732					1427827		433893		262997	2100724		620820	1231257	84219	219855		303068			739887	1135856	690446		287234		433641	227251		8964882	4192604	838428		3794580	124352	363442	709716	167821	782386	476288	280458						
pantoate	815145	645859	889591	5220920	2518194	3736801	755421	2955753	11627233	7808569			6804490	4926496	20584898	7528373	2554364	3360439	3800646	648107	3039056	842623	276064	3603534	6285690	4875351	14306957	1333654	995358		29218922	540577	76988778	8187296	6359105	6155336	915058	2233066	11649852	4276139	5445427	2796082	615300	4567193	1178819	9971734	5546531	2603311	148543117	22232782	1338525	2120154	12169306	1109623	2102226	55861716	782972	1198943	1280336	1154072	2934276	2058197	31770715	507398	6108806	2029566	12520755	10113541	5184160	815886	1726666	2630970	6881061	4640229	5384248	1383900	2288154	1359463	695590	11526705	10841932	15212262	2658346	5709622	1525157	1315902	835552	1293213	33597377	4675741	825393	6098949	1140440	11146469	17922995	2698732	15197806	11239162	4454930	940744	1229187		4356796	1631450	1189942	3920003	640815	215305101	428000	4397073	1090044	13024183	4958925	1952731	3400777	3724692	2257196	619357	11663803	1320663	1457358	5948662	12758875	10662809	946344	46257978	3492071	2440087	2782505	16905638	14380487	7220072	656765	18448414	2731595	18236132	49137573	2035418	450170	2856644	2475049	1242416	1917154	1236984	1361479	6275605	1523036	79134418	2489920	11023715		2351904	2463941	27689860	1600218	5201929	1788316	922458	2044462	3334782	38053559	1023575	3122642	23431286	5260478	9569067	17543051	16899163	22956852	2393237	2412786	3458549	873097	563532	5452627	1774317	5398014
sedoheptulose	6535158	1446761	3322576	4459229	2144951	4597056	5290839	3186235	3761001	5518108	14748103	3227243	11363651	6585908	62657168	9009369	7116641	8404891	4821146	2170814	11216958	3731840		2086871	3781622	4225381	6040828	3339047	3297626	3994912	10393711	3303194	16751418	3747588	7760083	14187263	975563	2056646	5493546	5144458	4266817	2369238	1063618	7775003	4131360	22620210	19335440	3660614	44148614	5957749	6627662	2737220	3563759	8142033	623656	13493502	12090269	3516947	2955328	111318261	1240917	2396140	10491257	3906201	28254109	9883627	32461064	9941975	6674336	2501147	1427021	1523784	8666310	4506213	3420118	2514050	1891718	8934157	2423155	4309133	4981296	6084874	7968110	10900387	19375546	15575404	4963783	6673809	21323390	4862820	4025854	4645598	7482683	7560500	10967383	2976710	2512416	107141573	6763976	2274428	75145850	646982	4787911	2806409	5535337	8399914	10091118	37290238	12701620	5134347	5829242	13669404	92345212	1747602	9553069	10726908	2821669	1798344	3260824	2200901	2858365	7396548	11459919	6885533	15086333	46781383	15476503	833044	7088545	2107940	1959015	9607755	3742377	10745909	1898256	5246550	5308305	6736968	3655597	4388179	10858411	21673398	14522534	1460621	8917641	15684835	4408365	20449300	6422847	8970523	6993309	6442848	3782046	2589789	1908117	2493391	3977516	49098424	3990469	6378072	36847701	11387390	2336401	21836080	4992149	2688953	1884573	1063957	3949983	1327315	2207796	4368503	3159421	3284603	5601943	4576888	6576645
2-O-methylascorbic acid									246700	983457		12166459	38325013		14663264		240083		67109023	46466049							6529125		564547				529084		18328562				2185924		5192651				14043995	324661	47289988		29153205												1163659				4438830	339753			435506				6624382	1493986	2869615	27118409		30211126		483817	2792397							38681511	36337553						14189893	37625032	76948181	13269511	14321112	53771348	23176192	43878433	4917816	9382804		11872980	1381454	9590588		127268913			25663585			17699834						5954155		3972674		14418706	19542378		835805	7125390		50635936	14672778	21271461	58322553	26561552	27559388	1281258			15118166		48853757			11851710	1308034	27327624	219242	15177347	8119575		9400922	296584	1386094												7373754		25929708	119737	1260275						44662205
mannonate*		105259		557377	295208	208480	1068388	149600	673106	1026378	1079325	7591732	645807	294110	1295846	196810	803156		391200	225912		216775	139993	210354	128730	123429	374952	268360	454435	345597	178472	152812			901970	162780	102678		161779	121212		361925		99950	902880	1742942	1172701	514593	1307149					165973	42592	119305	275251	381618	53631	3194746		709533	367672	161815	1141185	227218	482346		474975		147725			150312	260008	218398	110879	401640		418921		88776	431153	138083	448675	277491		216924	954275		1384224		150740	230671	1518201	254734	342244	1415746	612999		517067	166558	190062		1164943	3006842	407851	302251	680485		728922	101407	29805309		522597	804806	171070	396108		77010		175210	133966	483086	417009	509161	6171264		518855	304532	567759		385877	418969		523929	123234	284518	221460	227743	2471249	1560476	833152	633050	725363	847318	231347	1908792	1506509	767083	1033269	649071	342314	206568	303844		849849	422773	119665	644429	1119975	265777	90334	271692	283258	87034		665448			153189	211933	101192		351935	285656	173506
N-methyltaurine												122995				388825						269292	224467					765373			486841	212500						76406	91833	239161		63069	143343					209064		153951	126687		215580				134800	67708		155625					72748				106529													295579	253166		382807	276433													127005	1809071	727988	566181						95833	372057						105468						152471		1809374	2295787			106043	582198		273110	156730	242077		102906			325960					2113495	954800	59273		79541						159312		293436						825769	589089	1757968	274002	170143		77958	302670			121969		384714				137359	193394
dimethylmalonic acid	747313	510123	1078296	322344	469899	343380	378985	1083476	234230	492972	409215	294103	122232	297227	262636	375406	442049	275294	341620	430048	268207	909252	397807		725906	1166176		301673	267786		876401	360204	260343	319962		399185	110943	278269	261283	624131	771532		184131	356576		378197				560007	652615	307003	234742	333424	525626	669356	561699	167520	447085	695426	138983			397100	444760	475909	907280	700312	377566	198250	191508		291731	415254	194537	668190	276553	491399	276612	229241		284539	334925	102949	293497	403818	263408	192726	361174	338985	423728	508956	349935	652302	183315	256109	391645		1205448	739531	503075	293746		275126	584599	341107		745881	352332			315784		457816	243427	634596	447551	833734	263131	728168	216255	302024	1889066	1049257	666938	470482		294525	441311	968973	250471	281478	406685			2838010		207440	158879	364779				224772	677840	128500	663678		487483		408226	303857	175994	588368	631463		574084	594989	280865	550767	373673	403234	745475	431933	383436	412850	740692	2259359		408965	553889	370677	526256		254390	364986	327957
3-hydroxyadipate	6326335	4678466	10363834	8811022	6860704	5485959	6078560	14363102	12599685	5281606	6537858	5972640	1493017		9493836	7932525	7734912	2124475	6995974	8185743	10413642	14951531	16245970	5206125	9629745	13553247	21941223	16010685	16494125	14654660	8226384	6186461	3266159	1968602	12776834		1732771	5209803	5163694	15159714	25530294	26954727	4409157	11749937	17932438	10572563	18283575	6478004	10866815	13808753	11097224	8251375	2621962	5893081		8977290	7193112	3391970	5453415	11092259	2569863	1522369	10946932	8449515	3954295	8417315	7439196	10435016	10601527	5417973	5556939	3722323	8978137	6429252	8734126	5476981	4065646	7438581	3611331	4840495	7338904	12148648	8010619	8973064	8996484	4701358	11875778		8865291	3770066	13535172	6206870	6503524	21972460	11101762	2487251	45243172	3421266	4676671	13993637	18639011	2019744	2468002	8002632	9531925	8377645	19676975	11387872	6667355	5045428	3194388	6398097		3385185	8437795	11125743	10127781	5985024	1714158	11754532	2263643	4291418	32380683	26956782	21641399	5636436	6150302	3318035	7890831	15262944	10955769	4815130	10841827	4224035	6650388	24216218	4434517	10269812	4052124	6743554	15158841	11936182	16064908	3965078	15855418	10315529	3561665	6108074	7364709	2387471	8278568	10007249	5317792		4375987	611682	3443009	6819875	2353253	17504126	20702039	9443490	8526539	8986141	3302815	7739056	8217274	10239670	13541451	5294748	21437294	8202237	6482882	2259358	4570759	10660442	10609614
6-oxopiperidine-2-carboxylate	1880465	1759786	2872943	3861035	2301495	4377570	2855394	2987248	2796205	3085565	1835727	2325540	6238045	4572595	3467278	10053999	3512982	3786790	3611044	2018625	3828974	2974995	2366145	8751242	3359558	5158839	2726404	2136834	5118876	2660646	14923619	1711592	12842026	4093534	2366948	9207308	1553639	2107533	4081875	4125447	1226616	5501134	1264196	4655436	1201312	2177333	1752999	1676610	1952521	6314256	3039910	1643773	3046192	4325837	1367122	4217221	3537214	2217419	1571290	3649970	970897	1360778	2288036	3175275	11262961	4402858	6323282	6634531	1771712	1882631	3093372	1400212	2043395	1267421	1503968	1649532	2325303	2364617	2389525	2800617	2966560	7419224	2077185	3812859	3659998	2219531	1787115	1904081	1041887	5069228	2600509	6212246	3435951	2962386	916435	3130993	643642	15770393	2022820	2278870	2400685	1669008	777062	1381480	7478072	2230746	3278049	484669	3563013	1062193	5107536	9199509	2189154	2860387	1212430	1350843	1383436	5649951	3599225	5359342	1630889	3848203	9175125	10011822	1815786	2539120	3103574	3965932	1300803	2236128	1424581	3868734	4862827	1245603	3234065	8230929	797331	7092774	4420713	2238024	2510216	1558051	3020950	6496318	2070120	1457683	3078625	1317215	2565722	3296556	2392082	4072499	2069768	3970861	7072482	3514790	2222896	4425577	3542243	4707185	2096903	2449942	5383736	3005531	2668912	5038164	4340318	4456864	3435729	3702544	1661228	1462270	2346798	2297499	2374440	5707137	4061722
N-delta-acetylornithine	564669	758580	544123	2007119	1347042	1292743	3754262	3008320	3470565	7404333	6064408	1774249	1458394	2461516	3568883	3239240	2619210	2952940	3503014	2582767	2011147	1380963	699215	5281740	1377443	2055338	4575572	1546562	2691110	1928784	3781683	1636151	4109776	2612229	2719266	3212039	986567	875952	865596	1455450	2963072	2120591	1579622	1641970	3486886	4311957	3941067	2134063	6607636	1619551	1112382	2690088	1752368	5083190	468524	2444993	1935570	3426046	969412	3026211	688776	5747000	6430172	1310646	1727411	1135465	2065340	1084895	2674000	937011	1320018	5489519	7790327	8774108	6741546	3675274	882306	2501687	781310	859997	860321	1446009	1885955	2141738	3018208	1760607	1512696	2376489	4459821	2267212	4028725	1702536	1513295	3280623	1931701	2524306	2479751	4605074	3024861	3079699	3437562	3555469	4145494	2485264	2539546	4863708	1722484	3586950	2981492	6995964	1615752	3797576	2438646	912540	2503319	4640259	3591739	3366686	1013601	2338677	1396928	2671421	2709365	1851359	3955469	2609730	1692489	1009558	5607698	4786196	2601234	5113418	4058206	1644693	1779718	5525865	2334450	4296702	2004865	4866972	2207766	4807153	4889226	2067411	1757387	8274059	1627421	6238344	6000313	3622475	2830844	2546712	4205698	1462799	1740643	1857690	1679908	3181826	2515602	3435205	8577688	4028262	870559	3888015	1863783	2443386	2569963	6307872	4277299	2791692	3035954	5149744	3262902	3283210	3541210	1059937	2168011
2-keto-3-deoxy-gluconate	1636296	1393199	1173918	26001230	16545682	1966727	4229816	4149630	12682852	4406496	2296636	13537250	8314898	4445661	9958792	4760070	6186642	1503512	9203981		4604316	1423804		2968453	2663535	6107890	6958034	2347358	6871439	10934991	5620637	3908968		5824398	6730875	7157671	1520716			824877		711099	295717	3444509		8919896	9359293	27999787	17704123	3107262	11507172	424443	2874554	1901064		9121365	3388974	2659151	1053707	16364306	1248843	2562354	8561989	2145593	20201273	2413708	7025656	1174098	22438523	1424800	1288596	2056748	1656180	3691267		3579575	670212	5504477	1073918	1590870	1920303	981171	4502975	3552868	4194496	1553431	567498	1370905	12020996	493551	13181352	3059033	1647080	297811	8728462	1477514	1459180	4339052	1205854	1427126	3157097	265823	7820580	460239	146180	3805207		379506	6664260	939873	8608699	1094697	17456452		3093050	7794529				543861	1504825	5615569	11381856		5031652	14868968	41048837		936807			2647124	2924340			6571839	1703762	4885198			72166528	5931150	1238217		24397468	2371301	988418	138528849	3896570	13681380	7924696		1985526	2588217				311827	688220		21694689	1386570	840203	14718986	520216			169179	476572		335082					449849	
arabonate/xylonate	5044314	4613180	2335110	20099870	10549195	15187473	17306663	17391668	30094700	9779026	30842722	306121877	23921931	17233001	22126617	15227338	21693025	9374567	17243102	15494284	16911991	4592671	4865126	8029409	10553240	11089522	36608275	11375694	14927523	18971092	16676713	8702496	6087682	4949550	70148344	23700991	9220987	1775958	4727920	3553506	3967403	4100005	1360902	4528246	95711169	6818011	6592580	17199627	9092899	1974001	3287089	4283521	2210139	3856867	1239373	3832641	2779866	6687106	1966019	15354101	4587561	9693426	6643252	4441892	9518263	1990796	8794539	2602034	7131550	1418892	1835818	1695544	64979349	7344580	6713064	12535908	4523498	16775332	3170658	7148682	5330407	8555060	5818570	5400974	6598974	7175898	19550301	17257025	42305382	11812313	13477503	3235224	3098815	7422801	23031362	6687807	22881202	91765855	18396133	3653828	9124750	3428048	12687506	6823821	8488345	46289361	3269978	6639091	3955142	14892154	6889900	6251396	402309479	2828702	7937575	47700669	7895894	3815471	2347983	8747638	4466595	7924572	10840829	14928632	17472808	23090106	68909193	8535682	14047234	4223385	24199389	27717547	12508116	65772922	2347588	9952168	45950946	14170100	6080764	8176919	67058213	13474014	60297722	7059065	16349363	9991669	10544251	109768897	7881392	6441645	45322272	20922971	7815894	6649154	11865970	3850331	4719580	8483348	9275556	24868512	22504591	13433017	4238688	17667421	17245728	5950939	7501852	11688551	96158006	8730272	18642864	6235056	9499140	2683318	11887423	7113796	6286713
ribulose/xylulose	253093	942492	215355	680625			820345	1198881	7735280	954326	1536744	4956631	2694669	874073	3073344	444677	780755	2479412	1714441		3215329	438807	430952	453217	430677	680833	4280022	897965	1093916	769784	258900	545149	1035939	666298	5493908	311638	881507		1604338	245102	1135179	1801009	824397	1074540	1848966	2063506	3115486	1822777	7667920	882033	1204151	911493	437820	393840	122592	1155153	417170	609020		5443999	187340	2268142	4499391	491374	3942454	339759	1433642	816330	1637084	449937	794264	1159226	1376188	923915	486854	2070497	1390978	2347481		1367004	2215601	746326	925498	1511063	936237	998217	772431	3787805	3841978	895418	2272272	679296	976467	1233433	1392112	2385531	1516015	1361347	2576974	1006243	2175356	346612	583727	339209	606210	1881824	531774	1508766	658006	768898	490437	795159	37040098	255589	1532398	4118712	549084	304351	820570	574023	909356	1991026	930497	1037747	2709309	2211197	8065160	366015	1722903	1180024	1827110	2602101	1173317	4828153	264652	1207495	1571465	3393370	775442	3718072	1941833	1606386	9462748	1094773	1636365	1895831	667521	12283951	1314911	3216426	5410250	1637821	1305837	625615	364341	262180	748145	3389574	354497	1242821	4010162	964795	275698	2120893	922760	476840	539208	790195	1958127	413310	493203	995404	541288	352636	1537874	1080830	2758764
acesulfame				137612							2091412		24720522	11209556		4811809		16444535											227742										280386	94410																599061		8425165	2555334	119552				2055078						452383							455456									29767862	425925	454914	14688655	936888		20484631		746837	381223	671556694	6631529								1779414						36042268	480876	201130699											11412313				1256500		1384980			686892							75760	4495584		494413					94771834	25098073	80435360	14068767					113230			1673230				95106			16874454				344302			433017				
3-hydroxyhexanoate				881748	720669	1297570	403281	1474432	2734721	21645165	353961		691721		965926		386171		1230887	1249961							1195832		460133	1726006				284881	1162331						353784	262640	404044		645203	1054190	1663632	1414209	4063866	251923	729915	653086	758048				339235			518219		470835	1509176		518784		443230		1398291	1123149	1690203	2520417	2294931	1859068	749597	6956778	646033	837997	253094	677067	809599	511272	561369	1140837			1089839		1071145	464957	282817	224992		1024164	846177	1028738	1601170		776014	1725414		660100		828015		1301121		1322609		321397		1395138	1016438		915530	2946034	538879	446202	789954	795636			439859		396846	1484556	1001522	2529149	2977444	892088	3336254	3521919	556704	1989218	481796	1583416	1634099	1052150		1007985	1761529	783033	1887086		2363307	963748		1248922	2534382	1546510	3773240	472366	8267822	761419	601049	3938266			783637	889223	2237134	2029694		479275	1206317			1442645	5644706		471414	1558213	1371127	654520	1669652		1587662
arabitol/xylitol	103761	132872	82016	272949	110560	105187		561535	354307	330815		736206	837761	712755	495700	254687	177125	416245			247098	769788		138531	287384	519524	617394		60922	526800	295332	328971	804584	392994	1904594	608508		156249	254594	163634	277576	185767		311145	440821	545106	215810	171897	370358	256459	176635	156100	303204	122990		750799	328003	97081	64326	381477	93983	299057	381491	135527	349140	254035	644605	177976	476420	94903	163943	193358	257862			257599	170006	519743	313270	144522	153232	452678	541259	398574	380227	410541		229753	3786438	163402	142495	216702	284746	296011	182647	146715	243005	96417827	267696	314430	233622		342241		343146	363826	135557	95241	184144	246938		483334	2357930	109555	121445	265992	107337		206971	261298	177944	2252428	438475	525514	915118	4005420	354153		1046066	214837	229288	325040	735042	230546		569547		137441	97958	179578		219159	241644		338006	662724	252365	2188289	328192	672399	359060			163521	69924	123363	348704	281861	240895	164474	284127	92390	143857	699515	493400		312291		170630			133396	208398		614425	356247	166838
citraconate/glutaconate	763751	536117	753814	1817566	1115946	904493	1001151	919833	4032702	2740218	1536712	1765138	575854	1020232	1141731	2736911	1468144	413327	869611	1144335	1166139	705274	1169792	404647	998089	1323634	1530016	699742	2052552	715812	1050497	7573041	443445	1077949	1551240	1176988	1234925	959203	1256874	2035620	892789	1570649	1089965	1219843	1832162	2090091	1168245	1507031	1212190	1050284	997326	1271830	897028	1667511	739113	1118578	1261634	1221801	1012794	1661733	1243171	1254462	1238750	1338491	1098406	1139746	2209217	900351	1651316	1106964	724688	1689891	1407893	1756339	1102251	1870138	1030043	4085583	852314	1561343	1267099	1270497	1562650	1107163	1733034	1540941	1728665	1853581	3997802	1349723	1658474	1161280	1497915	1341299	1762312	1374630	5316374	6487251	1333161	1067380	1008348	953180	1459090	1402583	1768599	2253325	1486320	1676755	1400404	1704196	1437727	1489813	3031879	1757455	1268477	2473814	2832103	1279634	1165393	1217094	1024466	947173	2457632	1555775	2195333	3053723	3322094	1388002	1607229	1305879	1708387	1646711	2722234	1783241	2259691	3595592	998566	1853203	1369999	1375029	9146948	2862155	5040602	1682349	1478400	1208729	1925506	3479759	895275	1178128	2105665	1981859	3904531	1102640	1403842	995349	1162424	1683005	1801117	3136093	3955661	1762487	1701948	1359092	1294112	1239547	1344084	10963824	2332373	1135954	945901	1382648	2183508	967530	2193248	1909423	1134685
2-hydroxybutyrate/2-hydroxyisobutyrate	765176	2024432	1886451	2149457	2275742	731644	2048356	1851680	32575501	35765496	2763387	7137931	3404643	2563349	7120393	6381945	3732409	3805635	5593322	1619668	1656816	963547	799991	3415707	3416673	2611924	4264334	1773159	2325013	8860691	14112429	876144	33709164	4147361	5381604	43696253	851481	6552360	1736494	4286097	5255899	2926362	4243943	3822593	6886936	4804836	3409518	5635347	8233364	2135254	1508174	3295747	3018769	4028764	695564	8998170	2076520	4195790	3485313	3342396	4190296	2763268	2887662	1867963	4533800	1475663	6335531	2504236	5380748	7789364	8061654	7108554	7404285	5770642	4148431	14459169	9359498	9629497	1364872	7287648	8446033	5149423	2926385	2891704	5143278	2840362	3260457	3027042	11186259	6023976	810302	5270634	5311082	3771518	5598367	15980809	9502818	2666147	16232215	3908576	11585460	10409401	34046902	7598015	2142672	9157537	7858277	6603853	4907250	3157340	6955159	1371788	28565962	3192112	6257460	5741763	2399514	2445221	5492346	4842883	2191900	7514478	2995249	11077361	1194348	19589301	14091484	6058805	11488783	6217683	15445972	7120155	2905302	6721872	9974885	20211359	6215238	8858706	5184565	5070786	2738487	1763102	3173380	5066811	2565541	4336133	1738045	10467364	5974472	27019254	22351347	18039860	7843236	3695084	7905383	14508890	1767463	2460350	2791410	9223634	15116317	6718570	3413416	9252302	3495877	3495495	13091593	10935670	6412490	5391110	9761543	3353358	3083112	2814972	10936003	3776997	7078279
2-acetamidobutanoate	175357	168968	267639	327962	852863	1556384			2352296	101059	391048	950229			911529		228259	300869			106669	428829	256133		579006	234217	201940	106150	320972		951778	242657	3103433	361297		214896	166066	159775		331362		197576		107075	2448482		350802	111831	253221	167576	195486	467418		526246	322119	194897		192840	321883	531304	490956	222015	175268	739999				357825	2738652	810056	186484	1013376	129420	778984			263936	848737	132293	483626	256746		525230	731343	193437	541137	354101	784715	907852	369314		267407	280545	391973	554365	840690	440127	219675	481193	1709512	1392927	590923	2674297	440166	263195	472314	356480		540709	478223	471097		628700	188094	749146	1333232	768537	166784			756141				385526	1456249	1133884	402563	2065925		522030	155574		540882	1108394	477161	222817	732782	220260	1576911	313198	245084			1371335	488490	333114	392572	551518	253642	2310403		9390210		184429		230060	186359	149974	423513		427154		336850	713175	595069	524586	355077	291832	409711		1133971	2435687	425739	1139895	176539	1382990
isocitric lactone							295818	285931	750210	258347	466949	699242							152724	522030	206334			117358			410082		359951	751152					1144345				102869			2125450			684592		150174	362495	899430											449686		1976807	1459296		757072					145162		369112	1546091		253822	240506		120769		131516				82247				533069	1415480	543053	709601				350766	367819	3868430	205036496	701859	438708		263968	408499	96229		794528	119449	223787		94276			2136031		171205					143386			123732	989191	3621953	409633	669968		120519		210919	115938	865633	3698550	2348460	652969	86418	256659		163457	214245	327810	1337144	179803	107254	975177		1229248			597763	561036	385409		61003			1517705		167410	1929983	208818		272065				540054	330572		306546	148552			359225	75719	
3-carboxyadipate	3525323		2149275	11103101	6199084	11278103	14749077	91590404	2027621	985463	10096504	1760336		3913002	4788504	4982572	9721428		4011247	4756684	4425993	3531310	2442459	1566865	9903823	21519497	2057076	8053241	4136214	6325252	13147198	10161049	1865971		4220508	2344891	1354020	2772233	2802086	10116807	9232217	102570682		5852289	5574396	7362403	12550333	2265686	2332033	2500805	4102555	1701981	900076	3998825	1761782	1686085	6015330	1854860	1941895	16741706	1426054	1593197	2735671	2011725	3731148	12236207	6130545	7670195	1889485	631978	852446		11674129	182173	2973045	622757	1346842	1053750	2069650	1099282	3542526	2154201	1135184	475748	13775397	16972346	8103441	4248792	636259	1470205	24867946	1650488	2210595	1881376	2071976		2702483	1660118	358703	1646888	1555857	331146	256709		1508799	1661526	3586201	2836988	1123183	355477	689754	1709386	839295	689477	298400	99247	241475	1060860	166898		1281716	227539	14114458	1006695	4952872		238374	312258	220924	1910780	316051		4431638	181019	868121	2327081		401547	667111		4162618	29534058	2397518	1458107	1872485	2657401	2175877		386052		1093285	7319235		339957	229728		4180138	1121395	289153	4197613	744774	502377	2263654	2366265	153540	1069263	316069	533634	401227	320738	741611	372023	1012176	576953	365658	994797	782141
ascorbic acid 2-sulfate									1391233	3064901		1350834					1039276										302814	1538038					1048397		6061507				984577		3748037				1029709			430053	328830			4108593									909625	3010197	2499484		343511		241275		252649			1471157	6482653		351495			337396		891632	2208738						266905	463280	4682629						2533719		4712748	1242561	174174		1896703	921453	1046418	4616365	341017	2562425	1443884					75075	4025865			2028921						2066645		3138240	1205879	2514025	1097186	12589229	1988013	1340808	1804884		4395088		3263294	5367629					2647725			383032						1907258	482257	70409	1794755		1008131					5241105	3410719	6391115	463687		331160		2518237	2606121			3474370				133384	148746	
caffeic acid sulfate									212000			4615689															1682622		1318124						472803							201801			102272		22041657		46892934													308325	452125													3326330		8820068																	11243418	130537	993865	23696494			217160070	189514	131974			2485100		91027					953498		1654428	80175397	2790296				100034				125021	329540	4135069		210325		3934598			1435506		352012	498688	161613			251844		149631	781108	209858	269894		6615702			368612										266550				569153			3540335	970451		377366						116899
3-methylglutarate/2-methylglutarate	22107845	32966977	11008188	11221663	20189652	30333261	10190285	26439589	1265439	3656774	11863695	1478616	9513499	5790985	2890200	16091175	6884865	1685343	13321710	759219	47682060	42072893	17975872	9422914	17019013	11338175	17405018	30697017	1450561	68766777	32604992	30254817	17594191	18133728	2490166	5132396	10350901	26966441	15071060	19152856	26567910	6145574	15282692	11038023	3875277	3755191	4931255	5934545	2355673	18068010	13382925	4954693	13719820	37998698	9265232	8128259	15798996	6725441	15141203	20791593	14440776	1645671	2281074	10589798	8277522	8175978	6430489	12279498	37903503	1433378	1919984	672873	5274845	6619377	5526244	13185330	9077484	9771203	8768708	4561409	4701195	3794950	3642917	6333119	20552032	22471546	4148363	3518099	5784485	5464688	17105821	8289292	6335663	9506991	2396360	1210566	2318549	1277829	4018769	8910062	3183555	7220119	1772273	14665241	21247034	5756324	8819398	6052923	10977449	2771042	4021226	18914393	1162196	11005870	3734754	3230747	7255886	8757381	2680718	4374902	45077381	14714023	11782894	29692428	9376885	10739599	23295798	26978682	2134352	7384913	2292767	1919505	4561937	1029679	5432512	7646849	1733306	1905481	5174602	8196665	1963941	8194384	2155546	2840748	26224408	3538095	20832191	1269552	13460132	1137358	4130600	11246966	2475675	15154584	26658018	4674663	31068342	18862476	5767851	25187787	4744037	12886935	16706591	7276970	11493367	24386781	15143749	5459856	2845054	1808835	1835534	8682188	32554967	7650693	8614924	9806056	12688616
2-hydroxynervonate*	39083686	977627	15357361	19384631	35428118	48225360	20172942	28253582	483300	311113	7674102	967956	308777	3138841	1892138	6201560	22671051	324527	804666	962224	1147122	31155100	1446912	1410678	44460314	15774095	1336732	21288832	2861190	441417	40331724	26661855	3743047	19561366	10999189	21666219	5706015	42916576	3416963	22170462	9332969	4834410	163426	18242828	443619	2138465	3964726	2537206	3536746	20752961	39131913	653054	1890915	5574445	7927835	23001150	40191982	313224	9751667	18758743	7657141	211544	691005	16407313	22568003	38446859	8748712	28410385	9063309	28622950	4920614	201595		172120	9272444	331058	4467449	564720	5498681	6664046	6617439	10089825	7171737	5377862	9512692	27759691	11714507	846471	113408	5442677	1435449	11392938	10336890	13844437	1127555	307024	202804	1028118	1929762	945956	2362875	597710	566716	2798444	7651439	184597	16132046	7105150	11194769	767057	418063	19818774	4006914	12706935	3388115	4714932	10207752	12558048	6371868	1733428		8256815	10715349	6582467	799572	557762	1228654	7669901	181317	812812		10344505	1780960	1293022		403144	443273	738392	5749785	331354	981405	13712594	7029564	2021331	1970633	6979869	39110329	1420767	829840	685399	751306	8311055	302739	448509	4629086	5572720	17863198	14980957	231672	4280992	11861032	11223071	16747921	5717168	2740419	790267	307490	1776713	1277958	408326	274229	2048055	945093	3068445	6531588	28519698	8989073
2-hydroxylignocerate*	7884687		2157545	3572687	8940190	8121060	25542705	5588356	158785		2929261	2091703		267810	726426	779590	6346890		326916	3220071	422062	9941494	1932178	232434	15232192	3916578	349888	12814665	287550	206604	2801944	7261698	929809	1267926	1179982		818703	4742539	1455783	3014262		3233349		5860449		1085016	878560	279151	3152480	3286247	13688700	381765	529326	1012426	1094315	13017635	16365450		604644	10255090	610738		393968	4424633	9201709	17221782	4940610	4072965	879449						823918		475618	186103	449276	381881		968006	1453673	97129	10058639	6449341	1227454	246265		771931	1654446	3496700	1272290	1082306	2382771	301437	201897	1993892	329224	123976	320206			151819	4542340		3143028		4080420	84611	113305	9799754	4067203	3749981	138084	885181	891476		1112993	522471	146103	1038773	6537015	2322777	2440677	57028	1207326			27062		1773417	1555956	291950	107322	134268	144905	534858	1637041		1263750	7360008	6081008	555466	3258666	4176820	16148928	5542942	1073066	4654708	362350	1770057		129540	1110730	661788	8201885	2251667	462119	1821620	2135997	1504641	3640979	1204247	249400	128115	71750		594532				491927	669108	394212	10501604	
2-hydroxyheptanoate*		230646	240955		545876		371315	548654	3344616	769937	671350	989535		234624	273479	466789	331300	133669	555017	3631768	263895		185677		232920		1150773	523683	469986	615552		279812			697192		227600			282095	673825	468136		337433	677827	823133	633180		5212592	271320	290980	263106	464755	401567		265085	372389	202359		394370	318311	461498	4111766	253179	305122		273736			205083	196798	233528	1596800		244488	306381		985312		390592	787768				486674	268028	1206403	526684	2339117	387785	137406	227162	322156		887168	1345501	1065042	110226	1005610		8272057	490172	303442			666953		1507359	311397	651561		241807	2647101		584812	1689221	463224			768760		335437	204134	246776	215770	1844453	1020058	2008687	2226542	788913	402306	344063	655656	1128976	168139	308154	531059	367678	263012	343284	1049511		1055890	280176	620941	435422	335242	12267715	605279	951890	569015	268456	381962	824080	410362		279912	214641		604121	2092339	327406	297635	431697	679509	341809	305080	268671	2152103	267548	719103	439585		130201		150294	289127
lyxonate	8521146	6605736	2871776	15939093	17191443	25653350	10705452	18978870	25060668	9667459	42658391	193270900	7794794	21485124	34086328	35092851	5989287	9604528	14510757	35847617	29591353	3750046	3439048	3773114	2605054	2343804	39335174	7141424	23142192	13412067	25008212	8469175	3824402	5646829	131472369	2714689	2580623	3032224	8339495	2443988	6429789	2601243	2508373	6383640	21983300	3972482	15034468	47772938	24227168	2076333	3197541	2744568	3546443	3974862	3173277	2652807	2398160	5125560	3623246	33381058	6492696	9387470	6991479	6808725	6337368	536225	8112666	2830544	941694	1292105	1194874	3577380	52946670	11129783	6171477	13083444	3363141	15862491	4764965	7535319	10563346	3438147	4375856	2602388	7312858	4264099	28174818	25618719	304375237	23196636	12116608	4004901	5375713	2605564	251035662	4792631	37295698	577354393	19588607	2092895	23357768	2754292	12836890	2536525	6983563	122556902	3671874	10730709	1544354	14742243	1424261	2964856	95082747	1946072	20431031	22870245	5384915	1755745	1009190	826155	4561833	1605936	8330626	15586348	12403894	44486013	77779510	36568853	23593861	14238888	10993176	6671596	22232661	557423419	5372013	38357902	20742091	24942451	2184702	5965807	56762217	7617649	39702383	2383908	2516845	14113567	3528042	56316000	1587947	16149838	28900593	14288431	9403796	2514222	2662469	4184788	7284431	11804645	28473989	35018209	34249663	14872876	7796744	5821267	9564508	1890182	16521214	5889962	45726275	1408557	1306191	1937997	3932693	5533863	9064947	4421817	5167612
nonenedioate (C9:1-DC)*	192995		192137	458266	153708	278925	561473	506063		292236			172479	310841		754275	300541				269362	178133	92543	161740	86469			87911			212880			295098	327562		374476	484930	290840	161622		200859	281677	308822	444233					389911	246047	493577	176274	231990		202736		220789	376495	254567	637305	147230	438732			377417	265148	366286	354931	608343	362982	101334		537151	179198		312912		277854	511108	648916	301841	409906	369834		246982						255231	243559	138772					248592		97905			1359018	780571	358834	509581	374188	481154		367001	145725		418583		189824	429498	478720	332098		189136	384123	666309	152421					469384	620299						299875		103117				148721					193595	229212			271650	444410	286762	221358	203514	141789		353837					373452	305137		243720	316404	125348		169429		179800	259667	505704	422099		
heptenedioate (C7:1-DC)*	447650	201324	592354	621878	448770	775298	375041	542859		528536	340140		445298	549106	305030	484019	754246		315484	326461	598693	580688	210789	619838	694555	601129	340996	645545	424893	297448	548318		371507	582437	1385321	282467	205817	811464	854931	1138027	457641	725137	583411	1406840	910915		338542	840416		812694	623171	718826	427658	502539	882490	780743	699665	533744	887674	861047	2046021	274876	673903	398466	385983	1465650	768137	691016	1097002	694912	531609		321790	461048	712461	305909	390466	682836	407005	1201131	2142978	575369	624771	732739		532182		203595	314230	414854	303714	444517	361412	440777	345963		228613	128632	672107	452834	739856	225880	684315	4189079	845989	1760467	890866	362822	1033904	415855	686025	616079		611520	225767	658816	590702	733734	373082		462918	1024736	1081402			296484	200598	263212	285484	1440688	491992	223739	1115154		537479	3808481		174763		219020		627223	671337		591071	221645	445186		450583	205087	473105	887549	646718	314762	952241			398637	237465				701899	664939	239402	458705	1176822	413572		351580		247362	409143	494798	654516	563852	365156
vitamin D3 sulfate	235787	354730	244203	296487	457491	412463	92843	142700	53847	142743	76868		360982	149968		261167	141559	288047	262038	115180	272405	242746	144603	155858	225459	214199	251548	64557	208376	162054	286202	158815	532910	204605	86146	224564	245124	231386	236805	210042	368678	178294	347176	424934	307012	249049		187488	88937	171175	170273	126270	117910	234750	560015	299394	184920	279393	366873	98463	273907		38012	239776	59852	325930	64073	255935	312568	193177	183865		119671	364472	207098	175271	168750	250279	322296	413808	483369	370606	401167	532752	270482	229847	148006	104788	70903	358277	263181	297236	431791	146156	44274	101499	86434		345782			104109	194236	280982	284408	52887	240741	129755	279532	187858	294990	296036	69869	412421	59043	103483	90425	266568	331505	141057	311157	195761	337405	234791	148063	221357	160513	620234	135765	239362		220600	219276		658729	153140	45842	119935	336070	241060	293445	105968		231166	222000	145025	172359	64421	112969		182528	343880	122763	338360	245364	443131	166680	199920	277521	261939	105837	193453	236548	153209	158126	351725	397095	115524	109395	314459	214444	117472	546358	194704	187071	248589	390167
carboxysuccinate	141985	70577	204192	661682	228913	389761	1847401	1307223	127205		574890	567597				221700	400057	78324	120974			165984	161232	116760	2059300	1160823	155974	3025907	523177	586412	490183	344577			374803	542089		151675		616840	236779	819305		200008		448098	630096	94588	328646		397854					67127	434934		125533	1027884		179643	456364		421184	547623	496032	200384										56211		102777		221552	121375		1754954	887214	524024	167578		179195	910387			167626	401784		145844	2284015			149218											127059	120344						52740				743856	393799	1242089		223223						108463		49745						296633	1420231	519046		407944	477282	758412		141322	60745	195178	444290					396927	161158		267863	502273	221451	173928	187154		88694			254194	94303						120403	
succinoyltaurine						605243			82849	393228	148100	357167			166567				3807234	842530				1271545	462166	696187	322759	1137125	1776481	1304604					882782	138026		449185	1249825		472737		1100330	2097208	1620474	1429393	513398	1198533	791122			453498				945457		694714				607245	454266	1557281						1464806	831401	210162	510625	2313121	1669076	1450182		905000		283167	437102	2703162	2142111	1391530			762037	749211	214116	2827533	98694				129273	304664	342953		2133524	1292394	747607	409403	1018847	2531521	371623	1332407	352431	220509	3268826	288742	2478483		1389508		554490	2071656	1039007	1506756	240380	746897		261889		281304		2840756	2270988	1583838	3827915	183756	420194	132943	2799308		1957274	2234569		1912823		785103	372159	319597	1549595	921928	481274	808008	331189	306403	1170387	464653	574981	162941	3427627						1378560	3923464	952380	688052		184660	1087619	1022733	1243131	641735	331886	1575503	580294	128754			57805		1190521
ginkgolic acid C15:1							72588																												52074																			7380754																																			122716																720446				120127	347573	48551																															445845																																			
3,5-dihydroxyphenylpropionate				108422					4486768	8393005	8525886	10107658			15864071		4807000	249207		319665	305900					501675	15310766		263915	1521179		535692		221231	6188330	3300399			107610			223310		400268	9002978	541934	26334278	157384	17101003	262108		656308		959229		204846	138689	1684851		362502		2166217	11008510		441456		485606	178937	241960	79240		153774	6797902	4207842	2874582	10426971	586590	6792211	88921		155880	466645	302481	417340	1394087	1415693	2169352	3177290	9126521	834169	123821			291334	6010656	6156570	12122076	281490	2019797		19365766	114011	1516914	352016		10103149	289077	19760878	1085541	2329086	1358608		4968608		3889121	14445324	1354463		209857	1010559	410727	2221157		353684	368446	6839167	1763135	246491	16298115	540726	1398816	13217481		10816069		2517761	12238250	21812017	935694	355665	435425	29473842	27697796	263716	2784076	8362697		5832905	795268	996290	29623476	4679585	513356			188505		329299	241567	15814911	14506060	5064952		824958	936439		159891	61062443	10137932	329313	679327	12626920		2476938	12179393		448055
3-hydroxyisonicotinic acid	296504	109023	255682	347848	624568	575041	331121	193172		201604			480530	365552	158137	198248	1491631	233068	219992			75214			296623	1260562	354836	231149	238943	955940	720109	779593		357100	143198	574161		227572	283102	946035	552920	537531	543157		102725			74942	91760		368697			924704	283467	289918	363100	106024		751494	532199		123015	466863	310890		229894		193803	316198					126216	131609	203300	226593		639484	542569	902971	612308	238489	220704	304145	169282		165166	935765	193375	141509	784792	531729	484347				249176	91113	127859	181829		301327	464169		295995	157754	154022	216784	300581		121256	218085		221917	1844736	816301	231744	284738		299528	451950	11140774	174942	228710	159158			172934						121645	132321		317218	196274	107775	395411	103799	802729		103736	456646				236519	139500	174056	139817	109152	176652		616751	179801	301586		228195	354383	392736	236831	246466	382350	122041	106851	666689	144644	186714	1300379	125346	219337	546190	
2-hydroxy-4-(methylthio)butanoic acid	2329225	10833871	5862251	4457673	2445986	198035	708874	826283	60162671	21654320	830872	10450327	5878683	7504509	16821682	936052	1896534	13586074	25780829	30914462	2391091	1230696	414284	359110	8260022	768142	2341631	4988395	15964457	11531960	52780721	350294	98948209	12288891	5179576	55983466	246895	495411	1841595	6034745	21899582	7126743	389739	1254676	14222513	2954551	4997409	9059883	76059322	8973251	1158197	837734	9398088	2533207	1239371	4572109	724636	2606733	282619	1773348	8067791	720909	5651249	233867	2426276	650400	1414553	3805091	14213724	16965797	19870996	10154135	42211981	22790280	4646762	1459435	10798476	5389775	308165	20699785	18887557	2364185	944902	6201667	910874	742861	1283022	3933647	12395214	1075988	2997473	1184479	280692	5673566	27122075	10379515	24068637	2559816	1368349	6304872	39561082	11752707	22941502	8752627	1231814	18796942	594459	7962161	1445809	1752831	12007491	19880235	12338939	309713	4226658	13843145	897886	1375265	8050393	806376	1251496	5308247	8206127	1508442	1898826	21003808	10682326	5165533	41691412	10055715	9037989	2367607	4345420	5590345	3327815	16086800	1765568	6728490	1374031	6843250	21820473	798656	4916751	827901	13207954	2954216	173361	43291737	18628939	6191284	10602878	1007924	14571750	1001863	7892099	2145024	403796	738280	570146	11169977	64919247	18070910	2423490	5719485	2543654	3181008	918590	16557049	25028155	387170	7227897	7071925	567257	344300	7955881	13778858	18972471
pentose acid*	281706	137675		2206077	549946	456246		788217	7060084	2144497	525332	34113132	1718524	790156	3191247	158521	3991427		807111	1306975	743886	655060	494807	3547144	657621	765125	5885346	2478085	2710484	8930977		179358	379841	421854	12578634	581087	1277003	416287	386849	377135	1140827	772124	355989	304675	38682199	216488	836547	320024	57278023	175022	290541	1721085		1261001		1404497				1183894	365054	6328875	5517300	2067673	1243499	680015	416147	3790549		170522	249775	14446028	8810753		2110034	845133	2238916	4486623		824528	859211	367030	452738	281574		461573		2471822	133070490	513870	2059219	177995	225307	271031	25121765	1217750	63143773	151156133	83721575	2109045	67608478	8841120	6921666	1052522	1334520	14531968	381206	1321860	905960	2423410	1025864	3939287	91903703		1481385	1401915	606374	387962	544893	715703		463440	522518	1846383	2429393	14745656	5159420		13273902	2578526	15335882	863401	3538840	7875786	2240813	3375188	1007642	1242869	418379	4896666	20647926	423720	3557569	441431	741159	2544687	288298	458881314	282788	3479806	4228923	6827923	4137263		362653	607804	1521392	2221888	344901	2606843	23091827	587786	352295	1418582	876792	412440	907647	116451158	1653093	549145	4308971	533076	284865		1465016	734629	1185777
3-sulfinovaline																																																																																7543471	9082708																																																																																																
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	PARENT_SAMPLE_NAME
mevalonate	30	39583	146992	Lipid	Mevalonate Metabolism	3196	NAMED	KJTLQQUUPVSXIM-UHFFFAOYSA-N	CC(CCO)(CC(O)=O)O	mevalonate	96949-03-0	388367	HMDB0000227	C02104	449	Polar	30
alpha-ketoglutarate	93	528	146398	Energy	TCA Cycle	1462	NAMED	KPGXRSRHYNQIFN-UHFFFAOYSA-N	O=C(C(O)=O)CCC(O)=O	alpha-ketoglutarate	328-50-7,22202-68-2,305-72-6	50	HMDB0000208	C00026	51	Polar	93
3-hydroxyisobutyrate	111	1549	147711	Amino Acid	Leucine, Isoleucine and Valine Metabolism	433	NAMED	DBXBTMSZEOQQDU-UHFFFAOYSA-N	CC(C(O)=O)CO	3-hydroxyisobutyrate	2068-83-9	10140307	HMDB0000023,HMDB0000336	C01188,C06001	11966314	Polar	111
3-hydroxy-3-methylglutarate	112	531	146400	Lipid	Mevalonate Metabolism	3194	NAMED	NPOAOTPXWNWTSH-UHFFFAOYSA-N	CC(CC(O)=O)(CC(O)=O)O	3-hydroxy-3-methylglutarate	503-49-1	4573695	HMDB0000355	C03761	1662,5459993	Polar	112
3-hydroxyphenylacetate	114	1413	146434	Amino Acid	Phenylalanine Metabolism	163	NAMED	FVMDYYGIDFPZAX-UHFFFAOYSA-N	OC(CC1=CC=CC(O)=C1)=O	3-hydroxyphenylacetate	621-37-4	5323739	HMDB0000440	C05593	12122	Polar	114
quinolinate	182	1899	146452	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	4319	NAMED	GJAWHXHKYYXBSV-UHFFFAOYSA-N	OC(C(C=CC=N1)=C1C(O)=O)=O	quinolinate	89-00-9	1037	HMDB0000232	C03722	1066	Polar	182
phenylpyruvate	241	566	147094	Amino Acid	Phenylalanine Metabolism	155	NAMED	BTNMPGBKDVTSJY-UHFFFAOYSA-N	O=C(C(O)=O)CC1=CC=CC=C1	phenylpyruvate	156-06-9	972	HMDB0000205	C00166	997	Polar	241
carnosine	249	1768	145744	Amino Acid	Histidine Metabolism	86	NAMED	CQOVPNPJLQNMDC-ZETCQYMHSA-N	OC([C@H](CC1=CNC=N1)NC(CCN)=O)=O	carnosine	305-84-0	388363	HMDB0000033	C00386	439224	Polar	249
succinate	252	1437	147106	Energy	TCA Cycle	1465	NAMED	KDYFGRWQOYBRFD-UHFFFAOYSA-N	OC(CCC(O)=O)=O	succinate	110-15-6	1078	HMDB0000254	C00042	1110	Polar	252
3-hydroxybutyrate (BHBA)	254	542	145710	Lipid	Ketone Bodies	1955	NAMED	WHBMMWSBFZVSSR-UHFFFAOYSA-N	CC(O)CC(O)=O	3-hydroxybutyrate (BHBA)	625-72-9	428	HMDB0000442,HMDB0000357,HMDB0000011	C03197,C01089	94318,441,92135	Polar	254
glucosamine-6-phosphate	290	580	146412	Carbohydrate	Aminosugar Metabolism	1419	NAMED	XHMJOUIAFHJHBW-UHFFFAOYSA-N	NC1C(OC(C(C1O)O)COP(O)(O)=O)O	glucosamine-6-phosphate	3616-42-0	8013767	HMDB0001254	C00352	440997	Polar	290
glucose 6-phosphate	291	31260	147190	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	1240	NAMED	NBSCHQHZLSJFNQ-UHFFFAOYSA-N	OC1OC(C(C(C1O)O)O)COP(O)(O)=O	glucose 6-phosphate	103192-55-8	19952394	HMDB0001401	C00092	5958	Polar	291
fumarate	330	1643	146876	Energy	TCA Cycle	1466	NAMED	VZCYOOQTPOCHFL-OWOJBTEDSA-N	OC(/C=C/C(O)=O)=O	fumarate	100-17-8	10197150	HMDB0000134	C00122	444972	Polar	330
gluconate	338	587	147098	Xenobiotics	Food Component/Plant	4826	NAMED	RGHNJXZEOKUKBD-SQOUGZDYSA-N	OC([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)=O	gluconate	527-07-1	10240	HMDB0000625	C00257	10690,3085666	Polar	338
glutarate (C5-DC)	339	396	146390	Lipid	Fatty Acid, Dicarboxylate	1676	NAMED	JFCQEDHGNNZCLN-UHFFFAOYSA-N	OC(CCCC(O)=O)=O	glutarate (C5-DC)	110-94-1	3618533	HMDB0000661	C00489	743,4418048	Polar	339
myo-inositol	363	1124	145716	Lipid	Inositol Metabolism	2218	NAMED	CDAISMWEOUEBRE-GPIVLXJGSA-N	O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O	myo-inositol	87-89-8	10239179	HMDB0000211	C00137	892	Polar	363
2-aminoadipate	381	6146	147948	Amino Acid	Lysine Metabolism	125	NAMED	OYIFNHCXNCRBQI-UHFFFAOYSA-N	OC(CCCC(N)C(O)=O)=O	2-aminoadipate	1118-90-7,542-32-5	456	HMDB0000510	C00956	92136	Polar	381
orotate	445	1505	146440	Nucleotide	Pyrimidine Metabolism, Orotate containing	4226	NAMED	PXQPEWDEAKTCGB-UHFFFAOYSA-N	O=C(C1=CC(O)=NC(O)=N1)O	orotate	50887-69-9	942	HMDB0000226	C00295	967	Polar	445
lactate	482	527	146396	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	1256	NAMED	JVTAAEKCZFNVCJ-UHFFFAOYSA-N	CC(O)C(O)=O	lactate	79-33-4	592	HMDB0000190	C00186	612	Polar	482
salicylate	501	1515	164364	Xenobiotics	Drug - Topical Agents	5981	NAMED	YGSDEFSMJLZEOE-UHFFFAOYSA-N	OC1=C(C(O)=O)C=CC=C1	salicylate	69-72-7	331	HMDB0001895	C00805	338	Polar	501
glucose	572	48152	151982	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	1239	NAMED	WQZGKKKJIJFFOK-DVKNGEFBSA-N	O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	glucose	50-99-7	71358	HMDB0000122	C00031	5793	Polar	572
mannose	803	48153	152039	Carbohydrate	Fructose, Mannose and Galactose Metabolism	1369	NAMED	WQZGKKKJIJFFOK-DXQLJALPSA-N	O[C@@H]1C(CO)O[C@@H](O)[C@@H](O)[C@H]1O	mannose	3458-28-4	141983	HMDB0000169	C00159,C02209,C00936	82308,439680,185698,18950	Polar	803
malonate	818	15872	147518	Lipid	Fatty Acid Synthesis	1489	NAMED	OFOBLEOULBTSOW-UHFFFAOYSA-N	O=C(O)CC(O)=O	malonate	26522-22-85-0,141-82-2	844	HMDB0000691	C00383	867	Polar	818
pyruvate	823	22250	146516	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	1255	NAMED	LCTONWCANYUPML-UHFFFAOYSA-N	CC(C(O)=O)=O	pyruvate	127-17-3	96901	HMDB0000243	C00022	1060	Polar	823
xylose	826	15581	146484	Carbohydrate	Pentose Metabolism	1283	NAMED	PYMYPHUHKUWMLA-VPENINKCSA-N	O=C[C@@H]([C@H]([C@@H](CO)O)O)O	xylose	609-06-3	85957	HMDB0000098	C00181	135191	Polar	826
arabinose	828	575	146408	Carbohydrate	Pentose Metabolism	1285	NAMED	SRBFZHDQGSBBOR-SQOUGZDYSA-N	O[C@@H]1CO[C@@H](O)[C@@H](O)[C@@H]1O	arabinose	28697-53-2	59687	HMDB0029942	C00216	66308	Polar	828
fructose	878	48195	153126	Carbohydrate	Fructose, Mannose and Galactose Metabolism	1363	NAMED	RFSUNEUAIZKAJO-ARQDHWQXSA-N	OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O	fructose	57-48-7	5764	HMDB0000660	C00095	2723872	Polar	878
maltose	913	15586	146486	Carbohydrate	Glycogen Metabolism	1316	NAMED	GUBGYTABKSRVRQ-ASMJPISFSA-N	O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O)O)O)O	maltose	6363-53-7	388469	HMDB0000163	C00208	10991489	Polar	913
ribose	914	1471	147709	Carbohydrate	Pentose Metabolism	1277	NAMED	PYMYPHUHKUWMLA-LMVFSUKVSA-N	O=C[C@@H]([C@@H]([C@@H](CO)O)O)O	ribose	50-69-1	4470639	HMDB0000283	C00121	5779	Polar	914
dihydroorotate	923	601	145712	Nucleotide	Pyrimidine Metabolism, Orotate containing	4225	NAMED	UFIVEPVSAGBUSI-UHFFFAOYSA-N	O=C(C(NC1=O)CC(N1)=O)O	dihydroorotate	155-54-4	628	HMDB03349	C00337	648	Polar	923
sucrose	935	1519	147116	Carbohydrate	Disaccharides and Oligosaccharides	1342	NAMED	CZMRCDWAGMRECN-UGDNZRGBSA-N	OC[C@]1(O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@H]([C@@H]([C@@H](CO)O1)O)O	sucrose	57-50-1	5768	HMDB0000258	C00089	5988	Polar	935
allantoin	1002	1107	146424	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	4152	NAMED	POJWUDADGALRAB-UHFFFAOYSA-N	O=C(N1)C(NC(N)=O)NC1=O	allantoin	97-59-6	199	HMDB0000462	C02348,C01551,C02350	439714,204,439713	Polar	1002
glycerate	1052	1572	146444	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	1259	NAMED	RBNPOMFGQQGHHO-UHFFFAOYSA-N	O=C(O)C(O)CO	glycerate	600-19-1	732	HMDB0000139,HMDB0006372	C00258	439194,752	Polar	1052
N-carbamoylaspartate	1108	1594	147490	Nucleotide	Pyrimidine Metabolism, Orotate containing	4224	NAMED	HLKXYZVTANABHZ-REOHCLBHSA-N	OC([C@H](CC(O)=O)NC(N)=O)=O	N-carbamoylaspartate	923-37-5	4573859	HMDB0000828	C00438	93072	Polar	1108
N-acetylalanine	1110	1585	147717	Amino Acid	Alanine and Aspartate Metabolism	31	NAMED	KTHDTJVBEPMMGL-VKHMYHEASA-N	O=C(O)[C@@H](NC(C)=O)C	N-acetylalanine	97-69-8	79449	HMDB0000766	C02847	88064	Polar	1110
4-acetamidobutanoate	1113	1558	147484	Amino Acid	Polyamine Metabolism	568	NAMED	UZTFMUBKZQVKLK-UHFFFAOYSA-N	CC(NCCCC(O)=O)=O	4-acetamidobutanoate	3025-96-5	17180	HMDB0003681	C02946	18189	Polar	1113
isocitrate	1206	12110	147725	Energy	TCA Cycle	1460	NAMED	ODBLHEXUDAPZAU-OKKQSCSOSA-N	OC(C[C@@H]([C@H](O)C(O)=O)[C@@](O)=O)=O	isocitrate	20226-99-7	1161	HMDB0001874	C00451	5318532	Polar	1206
beta-hydroxyisovalerate	1442	12129	147727	Amino Acid	Leucine, Isoleucine and Valine Metabolism	368	NAMED	AXFYFNCPONWUHW-UHFFFAOYSA-N	CC(C)(O)CC(O)=O	beta-hydroxyisovalerate	625-08-1	62571	HMDB0000754		69362	Polar	1442
methylsuccinate	2051	15745	146490	Amino Acid	Leucine, Isoleucine and Valine Metabolism	415	NAMED	WXUAQHNMJWJLTG-UHFFFAOYSA-N	CC(C(O)=O)CC(O)=O	methylsuccinate	498-21-5	9922	HMDB0001844		10349	Polar	2051
tricarballylate	2053	15729	147741	Energy	TCA Cycle	1473	NAMED	KQTIIICEAUMSDG-UHFFFAOYSA-N	OC(CC(C(O)=O)CC(O)=O)=O	tricarballylate	99-14-9	14220	HMDB0031193	C19806	14925	Polar	2053
ethylmalonate	2054	15765	147158	Amino Acid	Leucine, Isoleucine and Valine Metabolism	412	NAMED	UKFXDFUAPNAMPJ-UHFFFAOYSA-N	CCC(C(O)=O)C(O)=O	ethylmalonate	601-75-2	11263	HMDB0000622		11756	Polar	2054
3-hydroxybenzoate	100000013	15673	180968	Xenobiotics	Benzoate Metabolism	4508	NAMED	IJFXRHURBJZNAO-UHFFFAOYSA-N	O=C(C1=CC=CC(O)=C1)O	3-hydroxybenzoate	99-06-9	7142	HMDB0002466	C00587	7420	Polar	100000013
suberate (C8-DC)	100000016	15730	145770	Lipid	Fatty Acid, Dicarboxylate	1693	NAMED	TYFQFVWCELRYAO-UHFFFAOYSA-N	OC(CCCCCCC(O)=O)=O	suberate (C8-DC)	505-48-6	10025	HMDB0000893	C08278	10457	Polar	100000016
pimelate (C7-DC)	100000101	15704	147156	Lipid	Fatty Acid, Dicarboxylate	1690	NAMED	WLJVNTCWHIRURA-UHFFFAOYSA-N	OC(CCCCCC(O)=O)=O	pimelate (C7-DC)	111-16-0	376	HMDB0000857	C02656	385	Polar	100000101
glucuronate	100000257	15443	146478	Carbohydrate	Aminosugar Metabolism	1423	NAMED	AEMOLEFTQBMNLQ-QIUUJYRFSA-N	O[C@@H]1O[C@H]([C@](O)=O)[C@@H](O)[C@H](O)[C@H]1O	glucuronate	207300-70-7	58552	HMDB0000127	C16245	441478,23677976,94715,65041,444791	Polar	100000257
maltotetraose	100000275	15910	147520	Carbohydrate	Glycogen Metabolism	1311	NAMED	LUEWUZLMQUOBSB-ZLBHSGTGSA-N	O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)O[C@@H]2CO)[C@@H]1O	maltotetraose	34612-38-9	393830	HMDB0001296	C02052	439639	Polar	100000275
maltotriose	100000276	44688	147873	Carbohydrate	Glycogen Metabolism	1313	NAMED	FYGDTMLNYKFZSV-DZOUCCHMSA-N	O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O	maltotriose	1109-28-0	388669	HMDB0001262	C01835	439586	Polar	100000276
ribitol	100000406	15772	146492	Carbohydrate	Pentose Metabolism	1278	NAMED	HEBKCHPVOIAQTA-ZXFHETKHSA-N	OC[C@@H](O)[C@@H](O)[C@@H](O)CO	ribitol	488-81-3	10254628	HMDB0002917,HMDB0001851,HMDB0000568,HMDB0000508	C00379,C01904,C00474,C00532	6912	Polar	100000406
2-isopropylmalate	100000409	15667	152132	Xenobiotics	Food Component/Plant	4801	NAMED	BITYXLXUCSKTJS-UHFFFAOYSA-N	OC(CC(O)=O)(C(C)C)C(O)=O	2-isopropylmalate	3237-44-3	76	HMDB0000402	C02504	77	Polar	100000409
quinate	100000442	18335	146498	Xenobiotics	Food Component/Plant	4926	NAMED	AAWZDTNXLSGCEK-WYWMIBKRSA-N	O[C@@]1([C@](O)(C[C@@](C(O)=O)(C[C@]1(O)[H])O)[H])[H]	quinate	77-95-2	10246715	HMDB0003072	C00296	6508	Polar	100000442
gentisate	100000447	18280	152144	Amino Acid	Tyrosine Metabolism	224	NAMED	WXTMDXOMEHJXQO-UHFFFAOYSA-N	O=C(O)C1=CC(O)=CC=C1O	gentisate	490-79-9	3350	HMDB0000152	C00628	3469	Polar	100000447
itaconate	100000455	18373	147757	Energy	TCA Cycle	1472	NAMED	LVHBHZANLOWSRM-UHFFFAOYSA-N	C=C(C(O)=O)CC(O)=O	itaconate	97-65-4	789	HMDB0002092	C00490	811	Polar	100000455
homoserine	100000458	18351	146502	Amino Acid	Glycine, Serine and Threonine Metabolism	22	NAMED	UKAUYVFTDYCKQA-VKHMYHEASA-N	O=C(O)[C@@H](N)CCO	homoserine	672-15-1	12126	HMDB0000719	C00263	12647	Polar	100000458
N-acetylglucosamine 6-sulfate	100000700	21365	147970	Carbohydrate	Aminosugar Metabolism	1430	NAMED	NHZWETQZLORZIR-UHFFFAOYSA-N	OC(C(O)C(O)COS(=O)(O)=O)C(C=O)NC(C)=O	N-acetylglucosamine 6-sulfate	10357-00-3	3615280	HMDB0000814	C04132	440235	Polar	100000700
glucosamine 6-sulfate	100000702	21296	147968	Carbohydrate	Aminosugar Metabolism	1420	NAMED	KRCSEEITTBNSQS-UHFFFAOYSA-N	OC(C(O)COS(=O)(O)=O)C(O)C(N)C=O	glucosamine 6-sulfate	91674-26-9	2578069	HMDB0000592		72361	Polar	100000702
maleate	100000707	20676	147767	Lipid	Fatty Acid, Dicarboxylate	1688	NAMED	VZCYOOQTPOCHFL-UHFFFAOYSA-N	O=C(C=CC(O)=O)O	maleate	110-16-7	392248	HMDB0000176	C01384	444266	Polar	100000707
4-ureidobutyrate	100000718	22118	147781	Nucleotide	Pyrimidine Metabolism, Uracil containing	4255	NAMED	QYTWIMMLQKHPGL-UHFFFAOYSA-N	O=C(N)NCCCC(O)=O	4-ureidobutyrate	2609-10-1	1278628			1571307	Polar	100000718
N-acetylaspartate (NAA)	100000787	22185	147184	Amino Acid	Alanine and Aspartate Metabolism	37	NAMED	OTCCIMWXFLJLIA-BYPYZUCNSA-N	OC([C@@H](NC(C)=O)CC(O)=O)=O	N-acetylaspartate (NAA)	997-55-7,997-55-7	58576	HMDB0000812	C01042	65065	Polar	100000787
cysteine s-sulfate	100000808	22176	165753	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	467	NAMED	NOKPBJYHPHHWAN-REOHCLBHSA-N	N[C@H](C(O)=O)CSS(O)(=O)=O	cysteine s-sulfate	1637-71-4	102939	HMDB0000731	C05824	115015	Polar	100000808
6-hydroxynicotinate	100000809	27680	147552	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	4339	NAMED	BLHCMGRVFXRYRN-UHFFFAOYSA-N	O=C(O)C1=CC=C(O)N=C1	6-hydroxynicotinate	5006-66-6	65756	HMDB0002658	C01020	72924	Polar	100000809
2,3-dimethylsuccinate	100000849	20703	147534	Amino Acid	Leucine, Isoleucine and Valine Metabolism	419	NAMED	KLZYRCVPDWTZLH-UHFFFAOYSA-N	OC(C(C(C(O)=O)C)C)=O	2,3-dimethylsuccinate	13545-04-5	11355			11848	Polar	100000849
4-hydroxybenzoate	100000862	21133	164565	Xenobiotics	Benzoate Metabolism	4507	NAMED	FJKROLUGYXJWQN-UHFFFAOYSA-N	OC1=CC=C(C(O)=O)C=C1	4-hydroxybenzoate	99-96-7	132	HMDB0000500	C00156	135	Polar	100000862
adipate (C6-DC)	100000863	21134	147544	Lipid	Fatty Acid, Dicarboxylate	1682	NAMED	WNLRTRBMVRJNCN-UHFFFAOYSA-N	OC(CCCCC(O)=O)=O	adipate	124-04-9	191	HMDB0000448	C06104	196	Polar	100000863
3-methyl-2-oxobutyrate	100000936	44526	147248	Amino Acid	Leucine, Isoleucine and Valine Metabolism	428	NAMED	QHKABHOOEWYVLI-UHFFFAOYSA-N	OC(C(C(C)C)=O)=O	3-methyl-2-oxobutyrate	3715-29-5	48	HMDB0000019	C00141	49	Polar	100000936
N-acetylglycine	100001006	27710	146518	Amino Acid	Glycine, Serine and Threonine Metabolism	2	NAMED	OKJIRPAQVSHGFK-UHFFFAOYSA-N	O=C(O)C(NC(C)=O)[H]	N-acetylglycine	543-24-8	10507	HMDB0000532		10972	Polar	100001006
ribonate	100001007	27731	147186	Carbohydrate	Pentose Metabolism	1279	NAMED	QXKAIJAYHKCRRA-BXXZVTAOSA-N	OC([C@H](O)[C@H](O)[C@H](O)CO)=O	ribonate	5336-08-3	4574162	HMDB0000867	C01685	5460677	Polar	100001007
threonate	100001022	27738	146524	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	4373	NAMED	JPIJQSOTBSSVTP-UHFFFAOYSA-N	O=C(O)C(O)([H])C([H])(O)CO	threonate	70753-61-6	133224	HMDB0062620,HMDB0000943	C01620	151152,5460407	Polar	100001022
galactonate	100001026	27719	152158	Carbohydrate	Fructose, Mannose and Galactose Metabolism	1389	NAMED	RGHNJXZEOKUKBD-MGCNEYSASA-N	O[C@H]([C@H]([C@H]([C@@H](CO)O)O)O)C(O)=O	galactonate	299-28-5	114198	HMDB0000565	C00880,C15930	12310779,128869	Polar	100001026
gamma-glutamylvaline	100001126	43829	165246	Peptide	Gamma-glutamyl Amino Acid	662	NAMED	AQAKHZVPOOGUCK-XPUUQOCRSA-N	O=C(N[C@H]([C@@](O)=O)C(C)C)CC[C@@H]([C@](O)=O)N	gamma-glutamylvaline	2746-34-1		HMDB0011172		7015683	Polar	100001126
3-hydroxysuberate	100001143	31936	213875	Lipid	Fatty Acid, Monohydroxy	1998	NAMED	ARJZZFJXSNJKGR-UHFFFAOYSA-N	O=C(O)CCCCC(O)CC(O)=O	3-hydroxysuberate	73141-47-6	13498677	HMDB0000325		22328017	Polar	100001143
3-hydroxysebacate	100001145	31943	165592	Lipid	Fatty Acid, Monohydroxy	2001	NAMED	OQYZCCKCJQWHIE-UHFFFAOYSA-N	OC(CC(O)CCCCCCC(O)=O)=O	3-hydroxysebacate	73141-46-5	2285525	HMDB0000350		3017884	Polar	100001145
propionylglycine	100001150	31932	147789	Lipid	Fatty Acid Metabolism (also BCAA Metabolism)	1789	NAMED	WOMAZEJKVZLLFE-UHFFFAOYSA-N	O=C(CC)NCC(O)=O	propionylglycine (C3)	21709-90-0	89122	HMDB0000783		98681	Polar	100001150
2-hydroxyadipate	100001153	31934	145806	Lipid	Fatty Acid, Dicarboxylate	1684	NAMED	OTTXIFWBPRRYOG-UHFFFAOYSA-N	O=C(O)C(O)CCCC(O)=O	2-hydroxyadipate	18294-85-4	167943	HMDB0000321	C02360	193530	Polar	100001153
N-acetylthreonine	100001274	33939	147566	Amino Acid	Glycine, Serine and Threonine Metabolism	18	NAMED	PEDXUVCGOLSNLQ-UHFFFAOYSA-N	CC(O)C(C(O)=O)NC(C)=O	N-acetylthreonine	17093-74-2	3841173	HMDB0062557		152204	Polar	100001274
alpha-hydroxyisovalerate	100001300	46537	146562	Amino Acid	Leucine, Isoleucine and Valine Metabolism	429	NAMED	NGEWQZIDQIYUNV-UHFFFAOYSA-N	OC(C(O)=O)C(C)C	alpha-hydroxyisovalerate	600-37-3	90190	HMDB0000407		99823	Polar	100001300
erythronate*	100001320	42420	148204	Carbohydrate	Aminosugar Metabolism	1448	NAMED	JPIJQSOTBSSVTP-PWNYCUMCSA-N	OC[C@@H](O)[C@@H](O)C(O)=O	erythronate*	88759-55-1	2061231	HMDB0000613		2781043	Polar	100001320
5-acetylamino-6-formylamino-3-methyluracil	100001402	34401	165248	Xenobiotics	Xanthine Metabolism	4625	NAMED	RDZNZFGKEVDNPK-UHFFFAOYSA-N	O=C(NC(NC=O)=C1NC(C)=O)N(C)C1=O	5-acetylamino-6-formylamino-3-methyluracil	85438-96-6	97287	HMDB0011105	C16365	108214	Polar	100001402
5-acetylamino-6-amino-3-methyluracil	100001403	34424	165245	Xenobiotics	Xanthine Metabolism	4624	NAMED	POQOTWQIYYNXAT-UHFFFAOYSA-N	O=C(NC(N)=C1NC(C)=O)N(C)C1=O	5-acetylamino-6-amino-3-methyluracil	1196153-01-1	79659	HMDB0004400	C16366	88299	Polar	100001403
gulonate*	100001586	46957	148205	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	4377	NAMED	RGHNJXZEOKUKBD-NRXMZTRTSA-N	OC([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)=O	gulonate*	20246-53-1	7969943	HMDB0003290	C00800	152304	Polar	100001586
cholesterol sulfate	100001606	35324	238705	Lipid	Sterol	3212	NAMED	BHYOQNUELFTYRT-UHFFFAOYSA-N	CC1(C2C(C)CCCC(C)C)C(CC2)C(CC=C3C4(CCC(OS(=O)(O)=O)C3)C)C4CC1	cholesterol sulfate	2864-50-8	4371550	HMDB00653	C18043	65076	Polar	100001606
glycerophosphoglycerol	100001619	48857	160476	Lipid	Glycerolipid Metabolism	2865	NAMED	LLCSXHMJULHSJN-UHFFFAOYSA-N	OC(CO)COP(O)(OCC(CO)O)=O	glycerophosphoglycerol		388990	HMDB0240316	C03274	54575349	Polar	100001619
4-hydroxycinnamate	100001675	36770	212242	Xenobiotics	Food Component/Plant	5203	NAMED	NGSWKAQJJWESNS-ZZXKWVIFSA-N	OC(/C=C/C1=CC=C(C=C1)O)=O	4-hydroxycinnamate	501-98-4	553148	HMDB0002035	C00811	637542	Polar	100001675
3-dehydroshikimate	100001679	36764	213877	Xenobiotics	Food Component/Plant	4716	NAMED	SLWWJZMPHJJOPH-UHFFFAOYSA-N	O=C(C1=CC(C(C(O)C1)O)=O)O	3-dehydroshikimate	2922-42-1	79		C02637	439774	Polar	100001679
N2-acetyllysine	100001721	36751	145848	Amino Acid	Lysine Metabolism	108	NAMED	VEYYWZRYIYDQJM-ZETCQYMHSA-N	OC([C@H](CCCCN)NC(C)=O)=O	N2-acetyllysine	1946-82-3	83869	HMDB0000446	C12989	92907	Polar	100001721
3,4-dihydroxybutyrate	100001730	62952	220827	Lipid	Fatty Acid, Dihydroxy	2054	NAMED	DZAIOXUZHHTJKN-UHFFFAOYSA-N	O=C(CC(CO)O)O	3,4-dihydroxybutyrate	51267-44-8		HMDB0000337		150929	Polar	100001730
N6-acetyllysine	100001734	36752	147825	Amino Acid	Lysine Metabolism	109	NAMED	DTERQYGMUDWYAZ-ZETCQYMHSA-N	N[C@@H](CCCCNC(C)=O)C(O)=O	N6-acetyllysine	692-04-6	83801	HMDB0000206	C02727	92832	Polar	100001734
mannitol/sorbitol	100001740	46142	146560	Carbohydrate	Fructose, Mannose and Galactose Metabolism	1368	NAMED	FBPFZTCFMRRESA-UHFFFAOYSA-N	OCC(O)C(O)C(O)C(O)CO	mannitol/sorbitol		440	HMDB0000247,HMDB0000765	C00392,C00794	5780,6251	Polar	100001740
3-methyladipate	100001765	36749	146966	Lipid	Fatty Acid, Dicarboxylate	1686	NAMED	SYEOWUNSTUDKGM-UHFFFAOYSA-N	O=C(O)CC(C)CCC(O)=O	3-methyladipate	3058-01-3	11789	HMDB0000555		12292	Polar	100001765
N6-carboxyethyllysine	100001769	37458	179367	Amino Acid	Lysine Metabolism	115	NAMED	XCYPSOHOIAZISD-UHFFFAOYSA-N	OC(C(C)NCCCCC(C(O)=O)N)=O	N6-carboxyethyllysine	5746-03-2	11312319			23400779	Polar	100001769
N-acetylserine	100001851	37076	147598	Amino Acid	Glycine, Serine and Threonine Metabolism	11	NAMED	JJIHLJJYMXLCOY-BYPYZUCNSA-N	OC[C@@H](C(O)=O)NC(C)=O	N-acetylserine	97-14-3	58744	HMDB0002931		65249	Polar	100001851
chiro-inositol	100001859	37112	145854	Lipid	Inositol Metabolism	2219	NAMED	CDAISMWEOUEBRE-LKPKBOIGSA-N	O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O	chiro-inositol	643-12-9	10254647	HMDB0240209	C19891		Polar	100001859
3,5-dihydroxybenzoic acid	100002054	37508	152190	Xenobiotics	Benzoate Metabolism	4514	NAMED	UYEMGAFJOZZIFP-UHFFFAOYSA-N	OC1=CC(C(O)=O)=CC(O)=C1	3,5-dihydroxybenzoic acid	99-10-5	7146	HMDB0013677		7424	Polar	100002054
N-acetyl-beta-alanine	100002102	37432	147835	Nucleotide	Pyrimidine Metabolism, Uracil containing	4260	NAMED	LJLLAWRMBZNPMO-UHFFFAOYSA-N	CC(NCCC(O)=O)=O	N-acetyl-beta-alanine	3025-95-4	68881	HMDB0061880	C01073	76406	Polar	100002102
2S,3R-dihydroxybutyrate	100002284	62950	220825	Lipid	Fatty Acid, Dihydroxy	2050	NAMED	LOUGYXZSURQALL-GBXIJSLDSA-N	C[C@@H](O)[C@H](O)C(O)=O	2S,3R-dihydroxybutyrate	5057-93-2	9139682	HMDB0002453		10964471	Polar	100002284
2,4-dihydroxybutyrate	100002285	62951	220826	Lipid	Fatty Acid, Dihydroxy	2053	NAMED	UFYGCFHQAXXBCF-UHFFFAOYSA-N	OCCC(O)C(O)=O	2,4-dihydroxybutyrate	1518-62-3	167259	HMDB0000360		192742	Polar	100002285
2R,3R-dihydroxybutyrate	100002367	63109	221751	Lipid	Fatty Acid, Dihydroxy	2051	NAMED	LOUGYXZSURQALL-PWNYCUMCSA-N	OC([C@H](O)[C@H](O)C)=O	2R,3R-dihydroxybutyrate	759-06-8	17215960	HMDB0000498		13120901	Polar	100002367
2,3-dihydroxyisovalerate	100002417	38276	152194	Xenobiotics	Food Component/Plant	4793	NAMED	JTEYKUFKXGDTEU-UHFFFAOYSA-N	OC(C(O)C(C)(O)C)=O	2,3-dihydroxyisovalerate	1756-18-9	657	HMDB0012141	C04039	677	Polar	100002417
fucitol	100002455	57594	211402	Xenobiotics	Food Component/Plant	4933	NAMED	SKCKOFZKJLZSFA-UHFFFAOYSA-N	CC(O)C(O)C(O)C(O)CO	fucitol	13074-06-1	3311			445724	Polar	100002455
3-methylglutaconate	100002458	57747	213342	Amino Acid	Leucine, Isoleucine and Valine Metabolism	372	NAMED	WKRBKYFIJPGYQC-DUXPYHPUSA-N	OC(C/C(C)=C/C(O)=O)=O	3-methylglutaconate	5746-90-7	1267861	HMDB0000522		1551553	Polar	100002458
3-hydroxyvalerate	100002459	57548	211436	Lipid	Fatty Acid, Monohydroxy	1995	NAMED	REKYPYSUBKSCAT-UHFFFAOYSA-N	CCC(O)CC(O)=O	3-hydroxyvalerate	10237-77-1	96952	HMDB00531		107802	Polar	100002459
hydantoin-5-propionate	100002514	40473	152212	Amino Acid	Histidine Metabolism	79	NAMED	VWFWNXQAMGDPGG-UHFFFAOYSA-N	O=C1NC(C(CCC(O)=O)N1)=O	hydantoin-5-propionate	5624-26-0	761	HMDB0001212	C05565	782	Polar	100002514
homocitrate	100002554	39601	146994	Energy	TCA Cycle	1476	NAMED	XKJVEVRQMLKSMO-SSDOTTSWSA-N	O=C(O)CC[C@](O)([C@@](O)=O)CC(O)=O	homocitrate	320573-06-6	388564	HMDB0003518	C01251	439459	Polar	100002554
pantoate	100002613	63061	221679	Cofactors and Vitamins	Pantothenate and CoA Metabolism	4355	NAMED	OTOIIPJYVQJATP-BYPYZUCNSA-N	OC([C@H](O)C(C)(C)CO)=O	pantoate	470-29-1	388387	HMDB0240389	C00522	5289105	Polar	100002613
sedoheptulose	100002619	53237	179411	Carbohydrate	Pentose Metabolism	1304	NAMED	HSNZZMHEPUFJNZ-SHUUEZRQSA-N	OCC([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)=O	sedoheptulose	3019-74-7	4573620	HMDB0003219	C02076	5459879	Polar	100002619
2-O-methylascorbic acid	100003258	63990	232912	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	4372	NAMED	RMHBODZVODTFAH-UHFFFAOYSA-N	OC1=C(OC)C(C(C(CO)O)O1)=O	2-O-methylascorbic acid	17860-87-6	90149	HMDB0240294		54726398	Polar	100003258
mannonate*	100003695	62864	220652	Xenobiotics	Food Component/Plant	4980	NAMED	RGHNJXZEOKUKBD-MBMOQRBOSA-N	O=C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O	mannonate*	642-99-9	2496757			3246006	Polar	100003695
N-methyltaurine	100004056	42989	180877	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	478	NAMED	SUZRRICLUFMAQD-UHFFFAOYSA-N	O=S(O)(CCNC)=O	N-methyltaurine	107-68-6	7594			7882	Polar	100004056
dimethylmalonic acid	100004251	42978	147238	Lipid	Fatty Acid, Dicarboxylate	1674	NAMED	OREAFAJWWJHCOT-UHFFFAOYSA-N	CC(C(O)=O)(C(O)=O)C	dimethylmalonic acid	595-46-0	11195	HMDB0002001		11686	Polar	100004251
3-hydroxyadipate	100004396	62069	218878	Lipid	Fatty Acid, Dicarboxylate	1685	NAMED	YVOMYDHIQVMMTA-UHFFFAOYSA-N	OC(CC(O)=O)CCC(O)=O	3-hydroxyadipate		133894	HMDB0000345		151913	Polar	100004396
6-oxopiperidine-2-carboxylate	100004499	43231	165646	Amino Acid	Lysine Metabolism	135	NAMED	FZXCPFJMYOQZCA-UHFFFAOYSA-N	OC(C1CCCC(N1)=O)=O	6-oxopiperidine-2-carboxylate	34622-39-4	2282737	HMDB0061705		3014237	Polar	100004499
N-delta-acetylornithine	100004523	43249	147867	Amino Acid	Urea cycle; Arginine and Proline Metabolism	515	NAMED	SRXKAYJJGAAOBP-UHFFFAOYSA-N	CC(NCCCC(N)C(O)=O)=O	N-delta-acetylornithine		8096135	HMDB0003357	C00437	9920500	Polar	100004523
2-keto-3-deoxy-gluconate	100005946	48141	160468	Xenobiotics	Food Component/Plant	5151	NAMED	WPAMZTWLKIDIOP-WVZVXSGGSA-N	OC[C@@H](O)[C@@H](O)CC(C(O)=O)=O	2-keto-3-deoxy-gluconate	17510-99-5	141630	HMDB0001353	C00204	161227	Polar	100005946
arabonate/xylonate	100006115	48255	153226	Carbohydrate	Pentose Metabolism	1299	NAMED	QXKAIJAYHKCRRA-JJYYJPOSSA-N	OC([C@H]([C@@H]([C@@H](CO)O)O)O)=O	arabonate/xylonate			HMDB0000539	C00502,C05411	122045,6602431	Polar	100006115
ribulose/xylulose	100006122	48340	153389	Carbohydrate	Pentose Metabolism	1280	NAMED	LQXVFWRQNMEDEE-UHFFFAOYSA-N	OC1(CO)OCC(O)C1O	ribulose/xylulose			HMDB0000621,HMDB0000751,HMDB0001644,HMDB0003371		5289590,151261	Polar	100006122
acesulfame	100006203	48569	179397	Xenobiotics	Food Component/Plant	5065	NAMED	YGCFIWIQZPHFLU-UHFFFAOYSA-N	CC1=CC(NS(O1)(=O)=O)=O	acesulfame	55589-62-3	33607	HMDB0033585		36573	Polar	100006203
3-hydroxyhexanoate	100006367	53230	179403	Lipid	Fatty Acid, Monohydroxy	1996	NAMED	HPMGFDVTYHWBAG-UHFFFAOYSA-N	CCCC(O)CC(O)=O	3-hydroxyhexanoate	10191-24-9	133518	HMDB0061652,HMDB0010718		151492	Polar	100006367
arabitol/xylitol	100006430	48885	160479	Carbohydrate	Pentose Metabolism	1293	NAMED	HEBKCHPVOIAQTA-IMJSIDKUSA-N	OC[C@@H](C([C@H](CO)O)O)O	arabitol/xylitol			HMDB0001851,HMDB0000568,HMDB0002917	C00379,C00542,C01904	94154,6912	Polar	100006430
citraconate/glutaconate	100006438	47076	148336	Energy	TCA Cycle	1479	NAMED	HNEGQIOMVPPMNR-IHWYPQMZSA-N	C/C(C(O)=O)=C/C(O)=O	citraconate/glutaconate			HMDB0000634,HMDB0000620	C02226,C02214	5280498,643798	Polar	100006438
2-hydroxybutyrate/2-hydroxyisobutyrate	100008928	52281	164309	Amino Acid	Glutathione Metabolism	590	NAMED	AFENDNXGAFYKQO-UHFFFAOYSA-N	CCC(O)C(O)=O	2-hydroxybutyrate/2-hydroxyisobutyrate			HMDB0000729,HMDB00008	C21297,C05984	440864,4277439	Polar	100008928
2-acetamidobutanoate	100009237	53232	179407	Xenobiotics	Bacterial/Fungal	5340	NAMED	WZVZUKROCHDMDT-UHFFFAOYSA-N	OC(C(CC)N([H])C(C)=O)=O	2-acetamidobutanoate		270613			306107	Polar	100009237
isocitric lactone	100009239	54724	207379	Energy	TCA Cycle	1461	NAMED	UKZDIMBDWHZXOK-UHFFFAOYSA-N	OC(C(C1)C(C(O)=O)OC1=O)=O	isocitric lactone	4702-32-3	88729			98259	Polar	100009239
3-carboxyadipate	100009325	54723	207377	Lipid	Fatty Acid, Dicarboxylate	1683	NAMED	LOGBRYZYTBQBTB-UHFFFAOYSA-N	OC(CCC(C(O)=O)CC(O)=O)=O	3-carboxyadipate	923-42-2	193135			222467	Polar	100009325
ascorbic acid 2-sulfate	100009329	63590	222872	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	4368	NAMED	SKKZOYBAANIUOV-ZAFYKAAXSA-N	O[C@@H](CO)[C@@](C1=O)([H])OC(O)=C1OS(O)(=O)=O	ascorbic acid 2-sulfate		77998	HMDB0060649		54676864	Polar	100009329
caffeic acid sulfate	100009337	53254	179431	Xenobiotics	Food Component/Plant	5225	NAMED	SNVAIAITQIIEMQ-DUXPYHPUSA-N	OS(OC1=CC=C(C=C1O)/C=C/C(O)=O)(=O)=O	caffeic acid sulfate		30777608	HMDB0041708		21668705	Polar	100009337
3-methylglutarate/2-methylglutarate	100010834	54676	180875	Lipid	Fatty Acid, Dicarboxylate	1679	NAMED	XJMMNTGIMDZPMU-UHFFFAOYSA-N	OC(CC(CC(O)=O)C)=O	3-methylglutarate/2-methylglutarate			HMDB0000422,HMDB0000752		12284,12046	Polar	100010834
2-hydroxynervonate*	100015638	61698	218000	Lipid	Fatty Acid, Monohydroxy	1993	NAMED	UFOOFOUFKSIFCD-KTKRTIGZSA-N	OC(C(O)=O)CCCCCCCCCCCC/C=CCCCCCCCC	2-hydroxynervonate*		4472208			5312783	Polar	100015638
2-hydroxylignocerate*	100019894	61699	218001	Lipid	Fatty Acid, Monohydroxy	1992	NAMED	MSUOLNSQHLHDAS-UHFFFAOYSA-N	OC(CCCCCCCCCCCCCCCCCCCCCC)C(O)=O	2-hydroxylignocerate*		92507	HMDB0039540	C17873	102430	Polar	100019894
2-hydroxyheptanoate*	100019960	61827	218249	Lipid	Fatty Acid, Monohydroxy	1976	NAMED	RGMMREBHCYXQMA-UHFFFAOYSA-N	OC(C(O)CCCCC)=O	2-hydroxyheptanoate*		2032206			2750949	Polar	100019960
lyxonate	100019968	61858	218556	Carbohydrate	Pentose Metabolism	1306	NAMED	QXKAIJAYHKCRRA-PZGQECOJSA-N	OC[C@H](O)[C@@H](O)[C@@H](O)C(O)=O	lyxonate			HMDB0060255			Polar	100019968
nonenedioate (C9:1-DC)*	100019974	61859	218584	Lipid	Fatty Acid, Dicarboxylate	1697	NAMED	OXWGEHDANKVJJJ-OWOJBTEDSA-N	O=C(O)CC/C=C/CCCC(O)=O	nonenedioate (C9:1-DC)*						Polar	100019974
heptenedioate (C7:1-DC)*	100019981	61866	218583	Lipid	Fatty Acid, Dicarboxylate	1691	NAMED	OXQWBLJQOBXJPM-DUXPYHPUSA-N	OC(CCC/C=C/C(O)=O)=O	heptenedioate (C7:1-DC)*						Polar	100019981
vitamin D3 sulfate	100021071	64558	238799	Cofactors and Vitamins	Vitamin D Metabolism	4476	NAMED	CAVKNZYPPDUUIT-YZDZVZQHSA-N	O=S(O)(OC1C/C(C(CC1)=C)=C/C=C2[C@@]3([H])[C@@](CCC/2)(C)[C@]([C@H](C)CCCC(C)C)([H])CC3)=O	vitamin D3 sulfate	78392-27-5				71752977	Polar	100021071
carboxysuccinate	100021130	63258	222173	Energy	TCA Cycle	1481	NAMED	RWLDAJMGAVDXSH-UHFFFAOYSA-N	OC(C(C(O)=O)CC(O)=O)=O	carboxysuccinate		277276			313489	Polar	100021130
succinoyltaurine	100021220	63678	223092	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	482	NAMED	SBQWITJAJITAMM-UHFFFAOYSA-N	OC(CCC(NCCS(=O)(O)=O)=O)=O	succinoyltaurine		20509456				Polar	100021220
ginkgolic acid C15:1	100021252	64200	236636	Xenobiotics	Food Component/Plant	4737	NAMED	YXHVCZZLWZYHSA-FPLPWBNLSA-N	CCCCCC/C=CCCCCCCCc1c(C(O)=O)c(O)ccc1	ginkgolic acid C15:1	22910-60-7	4445152		C10794	5281858	Polar	100021252
3,5-dihydroxyphenylpropionate	100021256	63342	222384	Xenobiotics	Benzoate Metabolism	4597	NAMED	ITPFIKQWNDGDLG-UHFFFAOYSA-N	Oc1cc(CCC(O)=O)cc(O)c1	3,5-dihydroxyphenylpropionate	26539-01-5	141878	HMDB0125533		161525	Polar	100021256
3-hydroxyisonicotinic acid	100021281	63163	221919	Xenobiotics	Drug - Neurological	5841	NAMED	JEHGATQUCUYHJL-UHFFFAOYSA-N	O=C(O)c1ccncc1O	3-hydroxyisonicotinic acid	10128-71-9	404406			459503	Polar	100021281
2-hydroxy-4-(methylthio)butanoic acid	100021372	63739	223275	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	455	NAMED	ONFOSYPQQXJWGS-UHFFFAOYSA-N	CSCCC(O)C(O)=O	2-hydroxy-4-(methylthio)butanoic acid	583-91-5		HMDB0037115		11427	Polar	100021372
pentose acid*	100021467	63264	222194	Partially Characterized Molecules	Partially Characterized Molecules	6446	NAMED			pentose acid*			HMDB0000892	C00803	7991	Polar	100021467
3-sulfinovaline	100021790	64176	236590	Xenobiotics	Drug - Antibiotic	5485	NAMED	SVIZNTHNFAOGAB-UHFFFAOYSA-N	CC(C(N)C(O)=O)(S(O)=O)C	3-sulfinovaline	98462-04-5					Polar	100021790
METABOLITES_END
#END