#METABOLOMICS WORKBENCH vvkmetwb_20200625_132009 DATATRACK_ID:2088 STUDY_ID:ST001478 ANALYSIS_ID:AN002454 PROJECT_ID:PR001002
VERSION             	1
CREATED_ON             	September 8, 2020, 4:50 pm
#PROJECT
PR:PROJECT_TITLE                 	NMR spectroscopy analysis reveals an altered metabolic homeostasis in
PR:PROJECT_TITLE                 	Arabidopsis seedlings treated with a cytokinesis inhibitor
PR:PROJECT_TYPE                  	NMR metabolimics
PR:PROJECT_SUMMARY               	In plant cytokinesis, de novo formation of a cell plate that evolves into the
PR:PROJECT_SUMMARY               	new cell wall, partitions the cytoplasm of the dividing cell. Cell plate
PR:PROJECT_SUMMARY               	formation involves highly orchestrated vesicle accumulation, fusion, and
PR:PROJECT_SUMMARY               	membrane network maturation supported by the temporary integration of elastic
PR:PROJECT_SUMMARY               	and pliable callose. The small molecule, Endosidin 7 (ES7), arrests late
PR:PROJECT_SUMMARY               	cytokinesis in Arabidopsis by inhibiting callose deposition at the cell plate.
PR:PROJECT_SUMMARY               	Its effect is specific, as it does not broadly affect endomembrane trafficking
PR:PROJECT_SUMMARY               	or cytoskeletal organization. It has emerged as a very valuable tool for
PR:PROJECT_SUMMARY               	dissecting this essential plant process. In order to gain deeper insights
PR:PROJECT_SUMMARY               	regarding its mode of action and the effects of cytokinesis inhibition on
PR:PROJECT_SUMMARY               	overall plant growth, we investigated the effect of ES7 through a nuclear
PR:PROJECT_SUMMARY               	magnetic resonance (NMR) spectroscopy metabolomics approach. In this case study,
PR:PROJECT_SUMMARY               	profiles of Arabidopsis leaf and root tissues were analyzed at different growth
PR:PROJECT_SUMMARY               	stages and ES7 exposure levels. The results show tissue-specific changes in the
PR:PROJECT_SUMMARY               	plant metabolic profile across a developmental gradient, and the effect that ES7
PR:PROJECT_SUMMARY               	treatment has on the corresponding metabolome. The ES7 induced profile suggests
PR:PROJECT_SUMMARY               	metabolic compensations in central metabolism pathways in response to
PR:PROJECT_SUMMARY               	cytokinesis inhibition. Further, this study shows that long-term treatment of
PR:PROJECT_SUMMARY               	ES7 disrupts the homeostasis of primary metabolism in Arabidopsis seedlings,
PR:PROJECT_SUMMARY               	likely via alteration of hormonal regulation
PR:INSTITUTE                     	California State University Fresno;University of California Davis
PR:DEPARTMENT                    	Chemistry
PR:LAST_NAME                     	Krishnan
PR:FIRST_NAME                    	Krish
PR:ADDRESS                       	SB-70 Department of Chemistry
PR:EMAIL                         	krish@csufresno.edu
PR:PHONE                         	559-278-7944
#STUDY
ST:STUDY_TITLE                   	NMR spectroscopy analysis reveals altered metabolic homeostasis in Arabidopsis
ST:STUDY_TITLE                   	seedlings treated with a cytokinesis inhibitor
ST:STUDY_SUMMARY                 	In plant cytokinesis, de novo formation of a cell plate that evolves into the
ST:STUDY_SUMMARY                 	new cell wall, partitions the cytoplasm of the dividing cell. Cell plate
ST:STUDY_SUMMARY                 	formation involves highly orchestrated vesicle accumulation, fusion, and
ST:STUDY_SUMMARY                 	membrane network maturation supported by the temporary integration of elastic
ST:STUDY_SUMMARY                 	and pliable callose. The small molecule, Endosidin 7 (ES7), arrests late
ST:STUDY_SUMMARY                 	cytokinesis in Arabidopsis by inhibiting callose deposition at the cell plate.
ST:STUDY_SUMMARY                 	Its effect is specific, as it does not broadly affect endomembrane trafficking
ST:STUDY_SUMMARY                 	or cytoskeletal organization. It has emerged as a very valuable tool for
ST:STUDY_SUMMARY                 	dissecting this essential plant process. In order to gain deeper insights
ST:STUDY_SUMMARY                 	regarding its mode of action and the effects of cytokinesis inhibition on
ST:STUDY_SUMMARY                 	overall plant growth, we investigated the effect of ES7 through a nuclear
ST:STUDY_SUMMARY                 	magnetic resonance (NMR) spectroscopy metabolomics approach. In this case study,
ST:STUDY_SUMMARY                 	profiles of Arabidopsis leaf and root tissues were analyzed at different growth
ST:STUDY_SUMMARY                 	stages and ES7 exposure levels. The results show tissue-specific changes in the
ST:STUDY_SUMMARY                 	plant metabolic profile across a developmental gradient, and the effect that ES7
ST:STUDY_SUMMARY                 	treatment has on the corresponding metabolome. The ES7 induced profile suggests
ST:STUDY_SUMMARY                 	metabolic compensations in central metabolism pathways in response to
ST:STUDY_SUMMARY                 	cytokinesis inhibition. Further, this study shows that long-term treatment of
ST:STUDY_SUMMARY                 	ES7 disrupts the homeostasis of primary metabolism in Arabidopsis seedlings,
ST:STUDY_SUMMARY                 	likely via alteration of hormonal regulation.
ST:INSTITUTE                     	California State University Fresno
ST:LAST_NAME                     	Krishnan
ST:FIRST_NAME                    	Krish
ST:ADDRESS                       	Department of Chemistry
ST:EMAIL                         	krish@csufresno.edu
ST:PHONE                         	559-278-7944
#SUBJECT
SU:SUBJECT_TYPE                  	Plant
SU:SUBJECT_SPECIES               	Arabidopsis thaliana
SU:TAXONOMY_ID                   	3702
#FACTORS
#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           	-	Con:u00:Le:d04:a	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 04 | Replicates:a	RAW_FILE_NAME=Con-u00-Le-d04-a
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Le:d04:b	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 04 | Replicates:b	RAW_FILE_NAME=Con-u00-Le-d04-b
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Le:d04:c	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 04 | Replicates:c	RAW_FILE_NAME=Con-u00-Le-d04-c
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Le:d05:a	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 05 | Replicates:a	RAW_FILE_NAME=Con-u00-Le-d05-a
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Le:d05:b	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 05 | Replicates:b	RAW_FILE_NAME=Con-u00-Le-d05-b
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Le:d05:c	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 05 | Replicates:c	RAW_FILE_NAME=Con-u00-Le-d05-c
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Le:d06:a	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:a	RAW_FILE_NAME=Con-u00-Le-d06-a
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Le:d06:b	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:b	RAW_FILE_NAME=Con-u00-Le-d06-b
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Le:d06:c	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:c	RAW_FILE_NAME=Con-u00-Le-d06-c
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Le:d07:a	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 07 | Replicates:a	RAW_FILE_NAME=Con-u00-Le-d07-a
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Le:d07:b	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 07 | Replicates:b	RAW_FILE_NAME=Con-u00-Le-d07-b
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Le:d07:c	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 07 | Replicates:c	RAW_FILE_NAME=Con-u00-Le-d07-c
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Ro:d04:a	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 04 | Replicates:a	RAW_FILE_NAME=Con-u00-Ro-d04-a
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Ro:d04:b	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 04 | Replicates:b	RAW_FILE_NAME=Con-u00-Ro-d04-b
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Ro:d04:c	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 04 | Replicates:c	RAW_FILE_NAME=Con-u00-Ro-d04-c
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Ro:d05:a	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 05 | Replicates:a	RAW_FILE_NAME=Con-u00-Ro-d05-a
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Ro:d05:c	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 05 | Replicates:c	RAW_FILE_NAME=Con-u00-Ro-d05-c
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Ro:d05:d	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 05 | Replicates:d	RAW_FILE_NAME=Con-u00-Ro-d05-d
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Ro:d06:a	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:a	RAW_FILE_NAME=Con-u00-Ro-d06-a
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Ro:d06:b	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:b	RAW_FILE_NAME=Con-u00-Ro-d06-b
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Ro:d06:c	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:c	RAW_FILE_NAME=Con-u00-Ro-d06-c
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Ro:d07:a	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 07 | Replicates:a	RAW_FILE_NAME=Con-u00-Ro-d07-a
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Ro:d07:b	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 07 | Replicates:b	RAW_FILE_NAME=Con-u00-Ro-d07-b
SUBJECT_SAMPLE_FACTORS           	-	Con:u00:Ro:d07:c	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 07 | Replicates:c	RAW_FILE_NAME=Con-u00-Ro-d07-c
SUBJECT_SAMPLE_FACTORS           	-	ES7:u03:Le:d06:a	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:a	RAW_FILE_NAME=ES7-u03-Le-d06-a
SUBJECT_SAMPLE_FACTORS           	-	ES7:u03:Le:d06:b	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:b	RAW_FILE_NAME=ES7-u03-Le-d06-b
SUBJECT_SAMPLE_FACTORS           	-	ES7:u03:Le:d06:c	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:c	RAW_FILE_NAME=ES7-u03-Le-d06-c
SUBJECT_SAMPLE_FACTORS           	-	ES7:u03:Le:d10:a	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:a	RAW_FILE_NAME=ES7-u03-Le-d10-a
SUBJECT_SAMPLE_FACTORS           	-	ES7:u03:Le:d10:b	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:b	RAW_FILE_NAME=ES7-u03-Le-d10-b
SUBJECT_SAMPLE_FACTORS           	-	ES7:u03:Le:d10:c	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:c	RAW_FILE_NAME=ES7-u03-Le-d10-c
SUBJECT_SAMPLE_FACTORS           	-	ES7:u03:Ro:d06:a	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:a	RAW_FILE_NAME=ES7-u03-Ro-d06-a
SUBJECT_SAMPLE_FACTORS           	-	ES7:u03:Ro:d06:b	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:b	RAW_FILE_NAME=ES7-u03-Ro-d06-b
SUBJECT_SAMPLE_FACTORS           	-	ES7:u03:Ro:d06:c	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:c	RAW_FILE_NAME=ES7-u03-Ro-d06-c
SUBJECT_SAMPLE_FACTORS           	-	ES7:u03:Ro:d10:a	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:a	RAW_FILE_NAME=ES7-u03-Ro-d10-a
SUBJECT_SAMPLE_FACTORS           	-	ES7:u03:Ro:d10:b	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:b	RAW_FILE_NAME=ES7-u03-Ro-d10-b
SUBJECT_SAMPLE_FACTORS           	-	ES7:u03:Ro:d10:c	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:c	RAW_FILE_NAME=ES7-u03-Ro-d10-c
SUBJECT_SAMPLE_FACTORS           	-	ES7:u05:Le:d06:a	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:a	RAW_FILE_NAME=ES7-u05-Le-d06-a
SUBJECT_SAMPLE_FACTORS           	-	ES7:u05:Le:d06:b	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:b	RAW_FILE_NAME=ES7-u05-Le-d06-b
SUBJECT_SAMPLE_FACTORS           	-	ES7:u05:Le:d10:a	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:a	RAW_FILE_NAME=ES7-u05-Le-d10-a
SUBJECT_SAMPLE_FACTORS           	-	ES7:u05:Le:d10:b	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:b	RAW_FILE_NAME=ES7-u05-Le-d10-b
SUBJECT_SAMPLE_FACTORS           	-	ES7:u05:Le:d10:c	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:c	RAW_FILE_NAME=ES7-u05-Le-d10-c
SUBJECT_SAMPLE_FACTORS           	-	ES7:u05:Ro:d06:a	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:a	RAW_FILE_NAME=ES7-u05-Ro-d06-a
SUBJECT_SAMPLE_FACTORS           	-	ES7:u05:Ro:d06:b	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:b	RAW_FILE_NAME=ES7-u05-Ro-d06-b
SUBJECT_SAMPLE_FACTORS           	-	ES7:u05:Ro:d06:c	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:c	RAW_FILE_NAME=ES7-u05-Ro-d06-c
SUBJECT_SAMPLE_FACTORS           	-	ES7:u05:Ro:d06:r	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:r	RAW_FILE_NAME=ES7-u05-Ro-d06-r
SUBJECT_SAMPLE_FACTORS           	-	ES7:u05:Ro:d10:a	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:a	RAW_FILE_NAME=ES7-u05-Ro-d10-a
SUBJECT_SAMPLE_FACTORS           	-	ES7:u05:Ro:d10:b	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:b	RAW_FILE_NAME=ES7-u05-Ro-d10-b
SUBJECT_SAMPLE_FACTORS           	-	ES7:u05:Ro:d10:c	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:c	RAW_FILE_NAME=ES7-u05-Ro-d10-c
SUBJECT_SAMPLE_FACTORS           	-	ES7:u10:Le:d10:a	Sample Type:ES7 Treated | Concentration:10.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:a	RAW_FILE_NAME=ES7-u10-Le-d10-a
SUBJECT_SAMPLE_FACTORS           	-	ES7:u10:Le:d10:b	Sample Type:ES7 Treated | Concentration:10.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:b	RAW_FILE_NAME=ES7-u10-Le-d10-b
SUBJECT_SAMPLE_FACTORS           	-	ES7:u10:Le:d10:c	Sample Type:ES7 Treated | Concentration:10.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:c	RAW_FILE_NAME=ES7-u10-Le-d10-c
SUBJECT_SAMPLE_FACTORS           	-	ES7:u10:Ro:d10:a	Sample Type:ES7 Treated | Concentration:10.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:a	RAW_FILE_NAME=ES7-u10-Ro-d10-a
SUBJECT_SAMPLE_FACTORS           	-	ES7:u10:Ro:d10:b	Sample Type:ES7 Treated | Concentration:10.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:b	RAW_FILE_NAME=ES7-u10-Ro-d10-b
SUBJECT_SAMPLE_FACTORS           	-	ES7:u10:Ro:d10:c	Sample Type:ES7 Treated | Concentration:10.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:c	RAW_FILE_NAME=ES7-u10-Ro-d10-c
#COLLECTION
CO:COLLECTION_SUMMARY            	Metabolomics data from leaves and roots as a function of treatment and time
CO:SAMPLE_TYPE                   	Plant
#TREATMENT
TR:TREATMENT_SUMMARY             	Collected data
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	NMR samples
#ANALYSIS
AN:ANALYSIS_TYPE                 	NMR
#NMR
NM:INSTRUMENT_NAME               	Bruker
NM:INSTRUMENT_TYPE               	FT-NMR
NM:NMR_EXPERIMENT_TYPE           	1D-1H
NM:SPECTROMETER_FREQUENCY        	800 MHz
#NMR_METABOLITE_DATA
NMR_METABOLITE_DATA:UNITS	mM
NMR_METABOLITE_DATA_START
Samples	Con:u00:Le:d04:a	Con:u00:Le:d04:b	Con:u00:Le:d04:c	Con:u00:Le:d05:a	Con:u00:Le:d05:b	Con:u00:Le:d05:c	Con:u00:Le:d06:a	Con:u00:Le:d06:b	Con:u00:Le:d06:c	Con:u00:Le:d07:a	Con:u00:Le:d07:b	Con:u00:Le:d07:c	Con:u00:Ro:d04:a	Con:u00:Ro:d04:b	Con:u00:Ro:d04:c	Con:u00:Ro:d05:a	Con:u00:Ro:d05:c	Con:u00:Ro:d05:d	Con:u00:Ro:d06:a	Con:u00:Ro:d06:b	Con:u00:Ro:d06:c	Con:u00:Ro:d07:a	Con:u00:Ro:d07:b	Con:u00:Ro:d07:c	ES7:u03:Le:d06:a	ES7:u03:Le:d06:b	ES7:u03:Le:d06:c	ES7:u03:Le:d10:a	ES7:u03:Le:d10:b	ES7:u03:Le:d10:c	ES7:u03:Ro:d06:a	ES7:u03:Ro:d06:b	ES7:u03:Ro:d06:c	ES7:u03:Ro:d10:a	ES7:u03:Ro:d10:b	ES7:u03:Ro:d10:c	ES7:u05:Le:d06:a	ES7:u05:Le:d06:b	ES7:u05:Le:d10:a	ES7:u05:Le:d10:b	ES7:u05:Le:d10:c	ES7:u05:Ro:d06:a	ES7:u05:Ro:d06:b	ES7:u05:Ro:d06:c	ES7:u05:Ro:d06:r	ES7:u05:Ro:d10:a	ES7:u05:Ro:d10:b	ES7:u05:Ro:d10:c	ES7:u10:Le:d10:a	ES7:u10:Le:d10:b	ES7:u10:Le:d10:c	ES7:u10:Ro:d10:a	ES7:u10:Ro:d10:b	ES7:u10:Ro:d10:c
Factors	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 04 | Replicates:a	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 04 | Replicates:b	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 04 | Replicates:c	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 05 | Replicates:a	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 05 | Replicates:b	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 05 | Replicates:c	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:a	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:b	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:c	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 07 | Replicates:a	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 07 | Replicates:b	Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 07 | Replicates:c	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 04 | Replicates:a	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 04 | Replicates:b	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 04 | Replicates:c	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 05 | Replicates:a	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 05 | Replicates:c	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 05 | Replicates:d	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:a	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:b	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:c	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 07 | Replicates:a	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 07 | Replicates:b	Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 07 | Replicates:c	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:a	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:b	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:c	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:a	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:b	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:c	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:a	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:b	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:c	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:a	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:b	Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:c	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:a	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:b	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:a	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:b	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:c	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:a	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:b	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:c	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:r	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:a	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:b	Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:c	Sample Type:ES7 Treated | Concentration:10.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:a	Sample Type:ES7 Treated | Concentration:10.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:b	Sample Type:ES7 Treated | Concentration:10.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:c	Sample Type:ES7 Treated | Concentration:10.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:a	Sample Type:ES7 Treated | Concentration:10.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:b	Sample Type:ES7 Treated | Concentration:10.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:c
N-Acetylaspartic acid	3.666756592	3.944858446	3.678071905	3.017921908	2.737423275	3.677223935	2.952428272	3.247927513	4.412781525	4.121015401	3.776103988	4.59366141	2.272468073	2.62343665	1.767816265	3.438348936	3.075605407	3.169925001	3.255874205	3	3.589082621	3.651905488	3.678395299	3.247927513	2.515092469	2.263034406	3.392317423	2.459431619	1.541007134	1.263034406	3.55229943	3.291623995	3.534102955	4.1977421	4.452858965	4.177917792	3.05561078	3.805090327	2.108365616	2.986284648	1.96883827	3.350497247	3.944858446	3.523561956	3.572889668	3.779528598	3.573426983	3.92786952	0.485426827	2.373817691	2.493085925	3.717614178	4.117661916	3.341405029
Pyridoxine	4.95419631	2.247448745	1.201633861	4.070389328	2.867896464	3.201633861	2.101993362	1.890892387	1.773254959	2.700439718	1.137503524	3.387195229	0.263034406	0.92957847	-0.321928095	0	0.378511623	-1	1.201633861	0.137503524	0.263034406	2.278013038	-0.152003093	0.847996907	1.987696151	0.263034406	-0.321928095	2.201633861	-0.152003093	-0.152003093	1.321928095	0.378511623	0.263034406	-0.152003093	0.584962501	2.100417208	1.201633861	4.902073579	-0.736965594	0.137503524	0.847996907	0.263034406	1.378511623	0.137503524	0.584962501	-0.152003093	-0.736965594	2.662179397	1.648913113	1.242474938	1.409127028	1	0.584962501	2.070389328
Acetylsalicylate	3.053111336	2.918889085	2.454291097	2.925999419	2.552099879	2.03562391	3.321928095	2.40599236	2.981852653	4.263034406	2.232660757	3.58790934	2.160031964	2.078767285	0.980486856	3.678071905	3	1.321928095	3.459431619	3	3.459431619	3.64385619	3.906890596	3.472487771	2.277153468	2.003678549	0.378511623	0.584962501	1.200590574	2.201633861	2.587878592	2.459431619	2.695207782	5.070389328	5.197708158	4.935459748	1.722466024	0.485426827	1	2.346805223	2.137503524	4	3.277984747	3.560714954	3.137503524	3.906890596	3.087462841	2.232660757	1.607446028	1.887525271	1.963474124	2.807354922	3.596935142	3.208008235
Dimethylamine	4.185866545	3.017921908	3.137503524	6.490249211	5.031218731	4.995484519	5.754887502	5.439623138	5.714245518	7.323730338	7.242221395	7.896029603	5.563658798	5.368184618	5.741132854	1.201633861	4.270528942	0.263034406	5.430789971	3.981852653	5.916168165	2.5360529	0.485426827	4.94016675	9.447496547	9.722466024	9.757556689	0.584962501	11.03885042	1.963474124	4.053111336	9.874520349	9.741972515	9.847996907	9.475125426	4.847996907	11.91606605	11.96058121	11.46959095	11.69400958	11.05100496	5.960716753	2.827819025	5.716990894	5.812498225	4.193771743	5.255500733	11.69822716	10.36435356	11.64997465	11.71364427	7.147335146	6.872722084	11.64069684
Pyruvate	5.569855608	6.970393538	4.95419631	7.346070441	7.884475819	7.227856573	7.880807948	7.980139578	7.675957033	7.777419716	7.424586226	8.09434165	4.986410935	4.832890014	4.906890596	6.416164165	5.942514505	4.596935142	5.501439145	5.395748328	4.977279923	5.307428525	6.381975479	6.745506266	3.472487771	5.760220946	5.459431619	7.437127844	6.40599236	7.468420402	5.061776198	5.266786541	4.921245889	6.129283017	6.482202926	6.38024459	6.933100475	7.144658243	4.008988783	4.711494907	5.663913842	4.638073837	5.137503524	5.402585758	5.845490051	4.026800059	3.087462841	3.666756592	4.602884409	6.063934306	5.385431037	4.270528942	4.683696454	4.044394119
Xanthurenate	2.925999419	2.972038189	2.521077321	2.963474124	3.470627927	2.981852653	2.378511623	3.240187491	2.828187152	2.459431619	3.655351829	4.702601363	4.357552005	4.270528942	4.614709844	3.700439718	3.786596362	2.537140855	4.240314329	4.590961241	4.765534746	4.008988783	4.392317423	3.485426827	2.307845229	1.378511623	1.485426827	2.648599247	1.321928095	2.010016054	2	4.343407822	4.061776198	3.916476644	4.760220946	4.364572432	2.770708954	2.5360529	2.207463479	1.137503524	0.584962501	2.169925001	5.412781525	5.593951284	5.64096791	3.916476644	3.666756592	3.887525271	1.453269039	1	2.766259162	4.314696526	3.754887502	4.03562391
Maltose	6.974988112	5.908750227	5.862402388	5.944233685	5.671263769	5.598943068	5.854641506	6.621280851	6.011836077	5.866451611	6.387374488	6.772583645	7.76420813	6.851749041	7.633721813	5.599276207	6.19202001	6.712870868	5.849754293	5.796614688	7.154818109	7.334496768	4.161887682	6.483815777	5.546211285	5.041460807	5.337202709	5.107844219	5.052386472	5.659910856	4.705977902	6.369644889	5.48864354	6.949534933	5.977279923	5.478971805	6.023550742	6.657855664	5.134068079	5.140490377	5.269667418	6.218482342	5.575917361	5.757556689	5.83541884	5.754887502	6.521992956	6.364572432	4.294902346	2.963474124	5.084801736	6.632268215	5.949534933	5.321928095
Acetate	3.73785233	4.240314329	3.754887502	4.436482378	5.754887502	4	3.87334421	6.059614856	5.311067102	5.887525271	4.263034406	5.762880293	1.485426827	3	0.137503524	3.776103988	3.99095486	3.070389328	3.886106959	3.070389328	4.459431619	4.314696526	4.169925001	4.560714954	3.610200869	4.273363901	1.070389328	3.786596362	2	2.930020046	3.378511623	3.277984747	3.392317423	5.078951341	5.053111336	4.781359714	3.472487771	3.40599236	2.169925001	5.116863758	2.925999419	5.551516018	3.925999419	7.339850003	4.087462841	4.738767837	4.578938713	3.972692654	2.881904933	5.736063628	2.584962501	4.255500733	5.343407822	4.817623258
Valine	2.459431619	3.217230716	3.40599236	5.449561375	3.872672763	5.292781749	2.827819025	3.608809243	2.827819025	3.560714954	3.87774425	5.328597306	4.185866545	3.963474124	3.981852653	4.797012978	4.596935142	4.572889668	4.902073579	4.584962501	4.478971805	5.578938713	5.730639956	5.218176623	2.867896464	1.584962501	2.906890596	5.311067102	1.201633861	2.459431619	4.892391026	4.62058641	4.263034406	6.145677455	6.537606691	6.470862199	2.887525271	3.292781749	1.807354922	1.378511623	1.925999419	5.378511623	5.289096702	5.325530332	5.354028938	5.133399125	4.847996907	4.765534746	0.137503524	3.263034406	3.786596362	6.421223299	6.412781525	5.911691582
glycerone	1.485426827	1.782565505	1.839531364	0.678071905	1.678071905	2	2.114677332	2.232660757	0.765534746	3.350497247	4.09592442	4.584962501	1	0	0.584747778	1.594267766	1.415526821	0.458073069	2.041343061	1.578687231	1.560591077	2.466291995	2.92202277	1.321928095	1.5360529	1.364724521	1.847996907	2.321928095	0.263034406	1.263034406	2.143164173	-0.321928095	1.197905036	2.535815198	3.325793463	1.888342487	1.722466024	-0.321928095	1.485426827	0	-0.152003093	2.450770525	1.263034406	1.070389328	1	-0.321928095	-0.736965594	2.871158482	1.263034406	0.678071905	1.5360529	3.011407985	3.080915591	2.339393578
Ferulate	2.867896464	2.504959129	2.339714333	2.169925001	2.552967974	2.10433666	1.584962501	2.700439718	2	3.887525271	3	2.807354922	3.121015401	1.485426827	2.722466024	3.510961919	3.169925001	3.786596362	3.963474124	3.459431619	3.711494907	2.963474124	4.201633861	3.64385619	1.632268215	1.887525271	0.925999419	2	1.485426827	2.827819025	2.999025244	3.53247782	3.10433666	4.084131661	4.392317423	5.632268215	2.271859127	2.137503524	2.232660757	1.925999419	0.584962501	3.758456835	4.765534746	3.925999419	4.491853096	4.052822473	3.362162989	3.597198985	0.765534746	2.321928095	2.137503524	5.560714954	4.197572737	3.512806767
glycerate 2-phosphate	7.378928353	7.158862106	7.76884596	8.105384749	7.951867504	7.921151955	7.821467253	7.593747353	7.760607348	7.60517232	7.299201791	7.974442221	7.494255587	6.373300197	7.333602628	6.880195729	6.73470962	6.983052794	7.108524457	6.512542955	6.694880193	7.608809243	6.95070169	7.337110394	7.790454979	7.083076159	7.64357208	7.166068289	8.216816787	8.009548727	7.840037857	7.720074604	7.380861405	7.772149591	7.964629667	8.316507819	7.586318605	8.223866838	7.217230716	6.875288598	7.054197294	8.233354251	8.472721402	7.477353527	7.561478892	7.703211467	7.486231678	7.704595348	5.205548911	6.966695459	7.408369605	8.329572126	8.235056863	7.931328485
Galactitol	7.932297994	7.100136671	7.98163591	8.249658992	8.704860731	7.849874194	7.599912842	7.430452552	8.140574178	7.76292471	7.46652554	7.904788072	7.560878094	7.403438163	7.85237345	7.616181231	7.242221395	7.20261362	7.337572715	6.831159045	6.397460726	7.057450272	7.035300923	7.635173947	7.708690886	7.259871721	7.737745581	7.245716466	8.110164119	7.613141855	7.587964989	5.529820947	8.027353134	7.451211112	6.040015679	8.125155131	7.75190346	8.603301502	7.274113704	6.050936965	6.566815154	8.450798854	8.28077077	8.161887682	7.87282876	7.451211112	7.071462363	6.886306263	6.325530332	6.512522014	7.188836073	7.920055055	6.187846909	6.145677455
xylitol	9.242459601	8.689085067	7.91162031	8.380819986	8.772166224	8.651674512	8.037565555	7.770889826	7.92464756	7.848869601	7.744833281	7.939711013	7.971460973	7.439623138	7.85256676	8.06501215	6.690696444	7.044588102	7.439077993	6.928913417	6.48703608	7.559950613	7.540709263	7.346956889	8.285301913	7.267575664	7.770723916	7.342020683	8.571416519	7.432959407	8.241268177	7.69306337	7.378275954	6.860466259	7.996049728	7.184875343	7.597192343	8.504330281	7.587199069	7.215070503	6.786812405	8.241611217	9.081882837	7.943413342	8.105767979	7.758474523	7.652319726	7.493970864	5.732209121	6.965576188	7.752213368	7.899054756	7.922186938	7.793765857
acetol	4.99095486	5.807354922	5.526694846	4.466169471	3.914170377	4.012135154	4.263034406	3.153805336	4.716990894	4.142544563	3.817623258	5.409141896	3.44625623	3.464061111	2.967661994	3.652465225	3.855237116	3.082361134	3.794957104	3.409035036	4.029260891	3.672207779	3.232660757	4.897231938	4.791814071	5.501439145	2.805054922	3.247927513	2.593666082	3.786596362	4.210187692	2.867896464	3.943299918	4.598701894	2.678071905	4.843460689	2.632268215	4.321928095	2.827819025	4.153805336	2.887525271	4.605935839	4.951498097	4.522902276	4.901710778	4.87774425	4.99095486	5.040015679	2.432959407	2.906890596	3.321928095	4.82942924	4.217230716	2.944858446
Caffeine	3.572212009	2.232660757	2.605193173	3.109944646	5.008988783	3.181653156	0.678071905	2.860161074	3.077835045	2.40599236	3.392317423	4.832890014	1.201633861	3.827819025	2.137503524	5.303780748	3.510961919	2.032744771	3.572889668	3.608809243	4.666756592	3.345199623	3.243323614	3.087462841	0.378511623	-0.152003093	0.137503524	1.678071905	1	1	3.596935142	4.112700133	3.44625623	3.440494231	2.632268215	4.008988783	2.10433666	5.193771743	1.628329356	3.121015401	2.963474124	0.765534746	4.958842675	4.465974465	3.510961919	1.5360529	1.432959407	1.5360529	1	0.485426827	2.59744796	3.121015401	2.678071905	1.925999419
Glucarate	6.207502459	6.098389236	6.419538892	5.723322394	6.375836583	5.852997588	5.862374119	6.705518297	5.936165668	6.122716996	6.053111336	6.908954195	6.213347282	6.17990909	4.958842675	4.5360529	7.394033895	5.87774425	5.899883907	7.483815777	5.125155131	6.343407822	6.867896464	5.87282876	5.829030075	4.813905371	5.307428525	5.240534312	5.303780748	5.760559186	7.703903573	7.458611673	6.753551055	6.125155131	5.778734244	6.740118043	5.652486495	7.478971805	4.378511623	4.786596362	5.031218731	6.002252452	6.864688115	6.875827148	6.38123288	6.17990909	6.306659156	6.813781191	3.655351829	4.763017754	3.666756592	7.086191385	7.21042783	7.17292749
Malonate	4.240314329	3.596935142	4.129283017	4.412781525	3.608809243	3.336283388	3.321928095	3.87774425	3.137503524	3.137503524	5.371558863	5.246028695	3.510961919	3.906890596	3.087462841	4.321928095	4.09592442	3.185866545	4.153805336	4.061776198	3.807354922	4.64385619	4.827819025	4.882643049	3.325644363	4.307428525	4.529820947	1.632268215	1.201633861	2.432959407	4.822730148	4.722466024	4.566815154	5.247927513	5.587964989	4.674201004	4.754887502	3.797012978	2.40599236	2.510961919	4.09592442	3.733354341	5.680886921	5.456149035	4.977279923	4.862947248	3.711494907	4.026800059	2.03562391	2.827819025	3.584962501	5.904484098	4.807354922	4.161887682
Isobutyrate	3.069918935	3.37760761	3.376841051	4.66106548	2.539072202	4.560714954	2.867896464	3.144839628	2.485426827	3.331257511	3.728495209	4.5072594	2.903593359	2.769648039	2.365331219	3.327063307	3.196814969	1.263034406	2.632268215	2.957027489	3.723710008	3.499138186	3.47692411	5.388878339	2.292781749	1.485426827	2.944858446	2.233720646	1.599673907	1.954014862	3.516660885	3.087462841	3.228984913	3.754887502	4.54776222	4.445613708	3.300309115	3.510244288	2.520052374	2.954920181	1.432959407	4.335782636	4.693698044	5.049527981	4.911135708	4.065291342	4.217195365	4.30351946	1.674722501	3.230076089	2.633533032	4.415773795	4.642166826	4.143176621
Biotin	4.375490535	4.669571104	4.208466133	5.64096791	6.01346226	4.614039358	5.87774425	5.427523865	4.998651149	5.933100475	5.416082925	5.691370168	5.141596278	3.121015401	4.892391026	2.263034406	4.022705463	3.981852653	3.981852653	2	3.070389328	4.385431037	4.023470111	4.802193217	5.944858446	4.532149549	4.068363496	5.840463234	4.008988783	3.567319573	4.483661809	5.997744026	4.697698482	5.078951341	4.510961919	5.251517892	4.975608991	4.733354341	4.572889668	3.584962501	3.612329531	4.868041624	5.1439641	6.070389328	5.99095486	5.804776378	5.689299161	5.228528287	3.557581297	4.243617412	3.930274495	5.942514505	5.659970119	5.114365689
Ascorbate	4.1917576	4.827819025	4.608809243	4.817623258	3.968140441	4.22801369	4.529820947	4.256257192	4.862119965	4.144995164	4.696314168	5.410866792	4.711494907	4.738767837	4.842978832	3.017921908	2.744161096	3.192607484	4.050400939	2.765534746	3.880659622	3.933894099	3.523914343	4.964426312	4.350403911	4.584862706	3.273220915	4.837943242	3.510961919	3.167894355	4.321801817	3.44625623	4.224966365	4.723839266	4.070389328	5.027732043	4.565582969	4.583709779	3.586609673	3.5360529	3.523561956	5.465974465	5.590961241	4.247927513	5.232660757	5.165098386	5.061304937	4.976803303	2.827819025	4.128909556	3.643534491	5.41858345	5.04751252	4.959211129
5-aminolevulinic acid	4.364572432	4.90209129	5.491853096	5.074676686	4.596935142	5.977279923	5.232660757	6.569855608	5.070389328	4.678071905	5.974988112	6.38932569	5.475733431	4.700439718	5.074676686	5.339850003	4.99095486	4.760220946	5.108524457	3.321928095	4.452858965	5.655351829	3.916476644	6.287250643	6.499845887	4.209453366	3.797012978	2.5360529	6.10433666	5.087462841	6.133399125	6.201633861	5.977279923	4.478971805	6.14974712	5.963474124	5.14974712	6.45779126	3.053111336	3.847996907	5.031218731	6.988684687	7.110613806	6.089582893	6.173926932	5.95419631	5.789207575	5.840463234	3.169925001	4.5360529	4.343407822	6.177917792	6.04220656	5.378511623
2-methylmaleate	3.087462841	4.277984747	4.061776198	3.515192794	2.925999419	4.602884409	2.966718663	3.016483987	4.03043394	3.483352339	3.263034406	4.262190285	4.09592442	3.137503524	2.292781749	2.818610408	2.432959407	2.209281601	2.485426827	2.169925001	2.459431619	1.963474124	3.226543601	4.037750442	3.350497247	3.744161096	3.017921908	2.592816595	2.137503524	1.755220894	3.418713978	3.103114447	2.786596362	4.327368672	4.284760268	4.184108305	4.087462841	4.10433666	2.507601304	3.455199492	2.201633861	2.722466024	4.338810803	4.041204526	4.711901406	3.891329891	4.086731355	4.150441711	1.925999419	2.946750631	1.925999419	2.5360529	4.316257539	3.685182732
Glycine	10.74852832	10.97441459	7.256444596	8.272396509	10.48391652	10.2643253	10.10341896	10.09183204	10.32788942	10.26584942	11.27152139	9.31083996	10.66097638	9.933248043	9.608439653	9.117383367	8.859224162	8.030667136	9.019034669	8.391887985	9.091435386	4.350497247	8.77939106	4.498250868	9.385646735	9.516684949	9.71630504	9.791488517	11.18797059	9.06501215	9.243173983	10.70416303	4.716990894	9.648896806	5.321928095	9.079218087	5.765534746	8.454916138	9.508587112	9.408754313	4.329123596	6.173926932	10.11984896	10.36817904	10.38013634	9.238643576	9.339404658	8.491853096	8.376776572	8.194264383	8.516881891	9.862425598	8.817942968	8.804776378
3-methylhistidine	3.700439718	4.683696454	3.689299161	3.97950771	3.668419259	4.066016906	3.287172448	1.201633861	5.867896464	3.782328141	6.251719093	4.93179585	1.070389328	0.678071905	1.584962501	1.722466024	3.459431619	2.477510293	4.314696526	2.786596362	4.465974465	2.070389328	3.307428525	2.201633861	3.392317423	2.961938666	1.632268215	5.439623138	2.246577854	1.887525271	4.070389328	1.632268215	1.678071905	4.458587284	4.5360529	4.074149187	6.031218731	5.296457407	0.378511623	3.392317423	1.432959407	4.232660757	4.137503524	2.201633861	1.807354922	2.510961919	3.046245872	2.350497247	1.485426827	1.070389328	2.825496501	2.867896464	2.560714954	0.678071905
Ethylene glycol	12.16226543	12.23861372	12.13388071	11.08055108	10.32192809	10.61065577	9.166916252	9.365884968	9.160375687	8.384999545	10.6930513	8.135452784	9.945004816	9.701653014	10.25349297	9.56700537	9.418485137	8.441284272	9.064473329	8.793440743	7.859224162	6.874059203	4.510961919	6.616181231	10.33024466	10.00786824	10.62771626	7.599168993	10.65078251	8.686500527	7.87958325	10.08041783	10.20713637	6.915281866	5.663913842	6.599912842	11.75003698	11.84795777	9.044120856	9.502632935	8.540709263	8.685449638	8.726218159	7.955359305	7.917073663	4.781359714	4.392317423	6.50779464	5.217230716	6.82527683	4.689299161	5.44625623	6.268658955	4.485426827
Thymine	2.774612674	2.57210833	2.424710616	3.364572432	1.963474124	2.649731309	2.827819025	2.302605957	2.453756398	3.38347777	2.935387011	3.798497519	2.263034406	2.263034406	2.201633861	2.292781749	2.321928095	1.979889147	2.676792739	2.070389328	2.925999419	3.561758475	2.5360529	3.491615883	2.432959407	1.760330797	1.321928095	2.608809243	1.199163238	1.554557221	3.786596362	3.472487771	2.887525271	4.095130761	3.5360529	3.612648846	2.490307213	3.277984747	1.584962501	2.317149075	1.223409096	3.887525271	5.482202926	5.469234794	5.357552005	3.99095486	3.378511623	3.459431619	1.332229006	2.196506779	2.506192455	3.922073409	4.602884409	3.678071905
4-aminobutyrate	4.070389328	6.275541262	6.562190981	6.213347282	6.129283017	6.318316841	6.395618111	6.952904592	6.458446289	6.251719093	5.956521363	7.11751195	6.900866808	6.786596362	6.663913842	6.972692654	6.892391026	6.94016675	6.653919873	6.586464526	6.307428525	7.736063628	7.551516018	7.795715007	6.391286754	5.811134674	6.254666335	5.83541884	5.426264755	5.892391026	7.580328887	7.596935142	7.319220503	8.316055209	8.553821257	8.342074668	5.596935142	6.10433666	7.001126665	6.638073837	6.563768278	7.952996323	7.534470377	8.723831566	7.061654847	7.947783026	7.876167597	7.816343705	5.016327714	7.082149041	7.14363831	8.862327401	8.437293666	8.290479698
Methylguanidine	4.847996907	4.625813736	4.129283017	5.623515741	2.432959407	3.930734471	3.584962501	3.321928095	4.357552005	0.584962501	4.026800059	5.32015988	1.137503524	0.925999419	1	3.42920293	3.490972985	2.640366828	3.777641334	3.434118652	4.132263436	3.232660757	0.378511623	6.074676686	3.655351829	4.459431619	2.579606579	3.171721138	4.277984747	1.678071905	4.255500733	4.137503524	3.689299161	4.632268215	5.911691582	4.653697977	3.64385619	3.754887502	4.882643049	4.760220946	3.472487771	4.666756592	4.566815154	4.5360529	4.694880193	3.925999419	3.916476644	3.786596362	2.681744449	4.177917792	5.108524457	4.357552005	4.432959407	3.981852653
Fructose	10.42174927	11.35713597	10.25762356	10.32113891	11.06332766	10.01669136	9.197501605	10.75070699	9.079827491	11.31469653	10.12988632	8.435435366	11.0768156	10.34795349	10.67375074	10.79051141	10.45584091	10.59479112	10.72621816	10.54235479	10.3188817	11.62680414	10.69505425	11.69883487	9.669062209	9.435670261	10.25467435	8.672368052	12.24025469	11.48442013	11.57766485	11.17536242	11.33778913	11.55832504	11.41959156	10.76925933	10.50243404	10.97642092	9.810410969	10.711753	10.65794363	12.0235118	12.20267483	12.11965446	12.13900768	11.64538824	11.73097953	11.92529481	8.777419716	10.02458564	10.83581357	12.38715572	11.53182005	11.87686223
Fucose	5.64385619	5.890615135	6.865423978	6.196384353	6.198775334	5.959813254	6.262552709	6.769908537	6.050042462	6.570363648	6.315472563	6.93927711	5.270528942	5.965784285	6.599912842	5.605849867	5.961160258	5.292781749	5.841523272	5.402585758	5.429615964	5.64385619	6.020146573	5.700439718	5.867332133	5.494628942	5.904894488	5.319844948	5.409836279	5.875404002	6.338067798	6.14974712	6.213347282	6.866660751	6.786596362	6.888743249	7.034523875	7.108524457	5.423447475	5.282238364	5.521381502	7.21042783	7.440453944	7.05202456	7.0725346	5.593951284	5.259272487	5.635173947	4.249823751	5.431446925	5.747074128	7.204571144	7.650333754	7.181897643
Histamine	2.925999419	1.584962501	2.601004915	3.510961919	1.632268215	2.5360529	2.5360529	3.963474124	2.434080677	3.432959407	2.827819025	3.993665527	2.321928095	4.112700133	4	2.378511623	1.5360529	2.584962501	1.201633861	2.867896464	3.744161096	3.442572356	2.03562391	4.078951341	2.817481785	0.263034406	2.016606572	1.321928095	1.177981878	0.765534746	2.632268215	3	5.5360529	3.087462841	4.626439137	3.391458565	2.632268215	2.03562391	3.472487771	2.410701085	1.532787134	4.614709844	4.921245889	4.716990894	4.700439718	2.459431619	5.614709844	5.350497247	2.005391702	3.017921908	1.847996907	2.560714954	6.224966365	4.157822911
sorbitol	9.709256167	9.690411261	8.32448044	8.613523127	9.672134808	9.123782801	8.254767272	8.337612237	8.04371782	8.246966279	8.590521075	8.107748877	8.522942464	8.277519887	8.056366761	7.766572459	7.897845456	7.19864128	7.586464526	7.270529222	7.934870291	6.877017503	6.937071039	6.864977236	8.670918317	8.576673293	8.228097122	7.466590861	8.744161096	7.862881073	7.96133225	10.42195961	7.258000397	7.148662138	6.858038181	7.41866296	7.947433445	9.029218666	7.896990737	7.805879305	6.909367131	8.051448272	8.864676485	8.119689311	8.243044126	7.629180754	7.398061865	7.21836868	5.915532521	6.776663517	7.357062805	8.195336818	7.556593366	7.735369599
xanthine	3.070389328	4.277984747	4.837943242	3.925999419	3.776103988	4.472487771	2.887525271	3.485426827	4.949534933	4.862947248	4.776103988	5.314696526	6.723831566	1.925999419	3.263034406	2.867896464	3.560714954	2.137503524	3.666756592	6.359310317	4.254656763	4.209453366	2.847996907	4.378511623	5.240314329	4.357552005	4.738767837	4.40599236	3.307428525	5.129283017	4.087462841	6.309248961	2.350497247	4.399171094	4.491853096	4.738767837	5.318316841	5.678071905	5.329123596	4.596935142	3.765534746	3.786596362	5.168022293	5.165911939	5.387362172	7.089582893	6.081083929	6.091699834	3.07047915	4.529820947	3.614474563	6.99095486	6.22881869	6.988684687
Sarcosine	3.336283388	3.137503524	2.560714954	3.754887502	2.655351829	3.153805336	3.498250868	3.603338523	3.722466024	4.596935142	3.95419631	5.144859392	4.035190202	3.375992383	3.369212083	3.350497247	4.548436625	3.292781749	2.744161096	3.880610255	3.989118755	4.833980626	4.068017885	5.325530332	1.678071905	4.711494907	1.847996907	5.221103725	2.867896464	5.350497247	4.392317423	4.217230716	3.137503524	3.498250868	4.129283017	7.635899466	2.765534746	3.95419631	2.981852653	3.678071905	3.045111474	8.0061858	4.560714954	8.200653436	4.161887682	7.968090752	4.738767837	7.893604905	3.64385619	3.909002453	3.185866545	7.908692838	5.354028938	7.623515741
1,7-dimethylxanthine	2.688014523	1.765468728	1.986678632	1.729304533	2.014830394	2.033583568	2.205391568	2.105874835	1.613716284	3.321928095	2.535049068	3.511270332	1.765534746	1.070389328	1.137503524	2.232660757	1.722466024	-0.152003093	1.963474124	1.678071905	1.321928095	3.087462841	4.733354341	1.632268215	1.984848427	1.142612325	1.053099203	1.719421411	0.890415798	1.326080771	2.40599236	4.177917792	0.378511623	2.867896464	4.672425342	0.378511623	1.916527602	1.494336692	2.171680159	1.070389328	0.794376019	4.847996907	4.5360529	5.840463234	4.722466024	2.507096363	0.847996907	3.817623258	1.372065254	1.764784481	1.539983168	4.112700133	3.906890596	3.722466024
5-Hydroxyindole-3-acetic acid	2.263034406	2.846170432	2.215683578	2.493632274	2.459431619	2.321928095	2.963474124	1.887525271	2.204092699	3.384578884	2.508269051	3.43582643	1.378511623	1.607842202	0.584962501	2.232660757	2.10433666	1.925999419	2.43457265	2.119099189	2.892508738	3.678071905	2.765534746	3.201633861	2.376046812	1.632268215	0.584962501	2.138507283	1.294099573	1.43447123	2.887525271	2.169925001	2.510961919	4.321928095	4.247927513	3.64385619	2.02697562	2.05529861	2.169925001	2.159038712	1.15346094	2.584962501	2.201633861	2.137503524	2.03562391	3.700439718	3.596935142	3.608809243	1.432959407	2	3.017921908	4.078951341	4.498250868	3.655351829
Guanidoacetate	8.028458647	12.6467387	12.62744269	10.99215944	10.48169854	10.16954925	8.66853047	7.518062976	8.181229366	7.930145948	8.7478573	8.103011545	8.184875343	7.146695948	7.991521846	7.501439145	7.152791852	6.416164165	7.408542042	6.851749041	6.636624621	8.661778098	7.704595348	8.849874194	10.99866094	7.093813673	7.998872454	8.25124569	9.839991071	7.479780264	8.347842794	9.447703162	8.569855608	8.855491443	8.277519887	7.891783703	12.00895378	12.0336983	9.593951284	8.720757277	6.77478706	10.56719556	9.286326727	7.658211483	9.031770114	8.595816919	9.062046138	8.831623937	6.646098061	7.502235115	7.465974465	9.773304077	9.35974956	9.251719093
Lactose	5.925999419	7.503333285	7.178699559	7.790511412	6.642412773	6.858873241	7.427015758	7.367691843	7.121916406	7.14489799	6.246027981	7.504375752	7.249824549	7.055282436	6.998872454	7.074798375	7.145677455	7.029011087	7.428778891	7.205548911	4.94016675	7.817623258	7.889351853	7.344295908	6.536477664	6.066354518	6.842978832	6.697641881	6.924031585	7.029010994	7.729960561	7.503825738	7.45532722	8.109047078	6.918863237	7.846117173	6.776040867	6.070389328	6.131342539	6.419175311	5.572889668	8.658925511	7.188836073	8.883559725	8.725195817	7.667466405	7.704595348	6.874059203	5.214904701	5.368069877	6.893473464	7.99830835	8.393604969	7.958262697
Creatine	2.432959407	1.858061068	1.971350707	1.621728281	2.064418179	1.899564213	2.030364124	1	1.763263511	3.244382155	2.807354922	3.708043929	1.321928095	2.019114467	2.232660757	1.321928095	0.765534746	1.887525271	1.378511623	1.263034406	1.070389328	3.475127541	2.137503524	2.585829729	2.280005039	1.448344543	1.083597797	0.925999419	0.812780718	1.449393642	0.765534746	3.711494907	1.201633861	2	4.041986166	0.678071905	2.088018539	1.566701376	3.070389328	3.5360529	0.378511623	6.630813152	6.307428525	5.911691582	5.783980414	2.169925001	2	1.765534746	1.979509579	2.018637398	1.321928095	3.888963846	3.897240426	3.391118097
Syringate	3.093926713	2.678584203	-0.321928095	-1	2.783017944	0.137503524	0.485426827	-0.152003093	-0.321928095	3.713069277	0.137503524	3.937705423	3.513390756	2.5360529	0.925999419	3.472487771	4.153805336	0.678071905	2.485426827	4.902073579	2.765665373	5.852997588	2.655351829	6.102238194	3.291893542	2.273276099	-2.321928095	2.835360486	-1.321928095	-0.152003093	2.292781749	2.378511623	1.432959407	6.253611152	6.578938713	6.320123598	2.556151778	0.378511623	4.017921908	-1.321928095	1.378511623	6.011227255	6.366322214	6.10433666	6.087462841	7.024585638	6.82527683	2.03562391	2.252097773	5.274261661	-0.321928095	6.73470962	7.005624549	6.614709844
Glycerate	7.563768278	10.02812796	8.648990606	8.897676599	9.359212444	8.921148815	8.017921908	8.76330558	7.196725061	8.369829569	8.785097858	8.145192923	8.25124569	7.12722055	7.766197597	8.845803646	8.422905743	8.29186137	8.927777962	8.499845887	7.925090244	9.563577635	9.435253538	7.592887844	7.199672345	7.007868243	7.381110294	8.120497098	9.030697256	8.067075317	8.625708843	7.339850003	7.736058595	9.966649642	9.990671284	10.15431181	7.869748051	8.314243347	8.268906708	8.028201441	6.565999049	7.95942242	9.010667963	8.329572126	8.363258702	10.01889562	9.541677449	9.743992861	7.10182673	7.870690086	8.214670113	11.28135051	10.74306722	10.65239686
Uridine	3.465901343	4.301797172	4.01298879	4.290320156	2.378511623	3.918166555	3.217461404	3.462751782	4.125499964	3.232660757	3.972509468	4.996136866	3.066142009	2.906004617	2.663966438	3.41449149	3.435609345	2.888191291	3.549434692	3.163361883	3.86312242	3.744161096	3.74756061	4.972225703	3.079677432	3.734680521	2.751905943	1.887525271	2.058109625	2.392344767	3.83788251	3.547797326	3.606938857	4.498250868	4.510961919	4.44625623	3.63400205	3.900754523	2.688452328	3.489843341	2.839205129	5.157852169	4.902073579	5.040015679	5.048759312	5.247927513	4.658075359	4.897240426	2.180888079	3.688241619	3.031850568	5.472487771	4.590961241	5.399171094
3-hydroxyphenylacetic acid	2.822920104	1.5360529	2.482845384	2.847996907	2.114072123	0.765534746	2.707059667	2.700439718	2.432959407	3.070389328	2.10433666	3.581374169	2.256695106	2.102181741	1.367367231	3.217230716	1.137503524	1.826896664	2.129618808	1.963474124	2.754287101	3.454889588	3.548436625	3.777931698	2.305272286	2.263034406	2.432959407	1.835124324	1.298813116	1.511459322	2.652821111	3.197622116	2.432959407	4.087462841	4.292781749	2.864079102	1.632268215	2.722466024	2.1684611	2.341551165	1.324958955	3.700255822	2.292781749	4.326055868	4.073564139	3.885508611	3.43171612	5.026800059	2.232660757	3.523561956	2.204948815	3.858731231	4.602419938	4.64385619
Phosphocholine	4.419538892	4.354614304	1.137503524	4.908340477	4.932737105	3.879391853	3.860096142	4.970688317	4.870784525	4.881480575	4.976698359	5.563428849	6.362820526	5.714245518	5.680886921	3.741797743	4.194782252	3.497607133	4.373422572	4.121564162	4.471143564	4.464952882	4.504620392	4.87303903	4.171620026	4.425151575	2.070389328	6.173926932	2.940052455	3.154147606	4.397723054	4.860027898	4.269248421	5.019856385	4.744328185	5.071852517	4.409063845	4.468512793	3.947469415	5.217230716	3.465210732	2.608809243	5.149077679	5.472191387	5.286055494	5.105332142	4.945600526	4.808745638	4.161887682	4.247927513	4.319574685	5.281976806	5.15743434	4.622390363
Dimethylglycine	2.817961916	2.464089837	1.137503524	-1.321928095	2.10433666	1	1.887525271	2.201633861	2.478704445	3.499697319	2.263034406	2.807354922	2.632268215	1.814222537	0	1.070389328	0.378511623	-1	1.137503524	0.847996907	2.511113613	4.649615459	4.705977902	1.378511623	3.837943242	1.070389328	1.584962501	2.259364759	1.263034406	1.5737627	3.655351829	3.432959407	2.944858446	4.807354922	5.161887682	1.378511623	2.350497247	1.137503524	1.816500491	4.008988783	1.5360529	2.137503524	2.378511623	3.711494907	2.070389328	1.925999419	1.263034406	1.321928095	1.623656273	2.378511623	2.608809243	4.817623258	4.255500733	1.201633861
Glycolate	5.100136671	5.719678429	5.361023811	5.968090752	7.221103725	6.498250868	6.087462841	7.452035274	4.972692654	6.532940288	7.306517445	5.768184325	0.847996907	4.078951341	5.402585758	2.432959407	5.614709844	4.392317423	5.343407822	4.10433666	5.911691582	6.167919866	7.927777962	6.772149591	6.033423002	6.195741293	6.581953751	5.875669215	3.700439718	4.285402219	5.669593751	5.895171879	5.738767837	5.961160258	4.867896464	6.496807744	6.980710829	6.773468928	6.006746832	5.797012978	2.722466024	5.855491443	7.546122759	5.209453366	5.251719093	8.999718196	8.900263044	4.145677455	3.897240426	6.8899602	5.786596362	5.318316841	8.992371907	5.339850003
Sucrose	8.376776572	10.03553329	8.562189417	8.494655613	9.852997588	9.355036535	8.299119212	9.17467606	7.981852653	8.302674903	9.360847084	8.017506982	12.25499905	11.28384077	11.86550131	7.560714954	7.540709263	7.096978636	8.011786331	7.491853096	9.093021347	4.09592442	6.830356747	4.336283388	8.242697768	8.040015679	9.340740281	7.526107464	9.003096215	8.317864798	7.9795681	8.896635141	6.721099189	3.700439718	6.34394971	3.711494907	8.083660422	10.36643151	6.9795681	7.802839441	7.321026129	4.321928095	8.937520951	8.127736444	8.128767677	6.871875002	6.767118165	4.270528942	5.828575005	6.589070302	7.031218731	7.082973148	4.963474124	6.614260593
Trimethylamine	2.836921939	0.584962501	1.716338148	2.03562391	0.378511623	1.993571789	2.350497247	2.070389328	0.678071905	3.240875716	1.722466024	2.608809243	1.652995823	1.2127787	-1	1.5360529	1.070389328	1.070389328	1.788568827	1.637931774	1.751523096	1.263034406	3.392317423	2.292781749	1.914799022	0.931544588	-0.736965594	1.925999419	0.581500154	0.814871695	1.765534746	0.485426827	0.137503524	2.584962501	2.378511623	2.632268215	0.485426827	0.765534746	1.807354922	0.941453493	0.65325952	2.827819025	2.887525271	2.485426827	3.87774425	2.765534746	2.321928095	2.459431619	1.434561794	1.545351923	-0.152003093	2.232660757	3.897240426	2.485426827
3-hydroxyisovalerate	5.332707934	4.635443689	3.596935142	5.209453366	4.44625623	3.887525271	2.906890596	4.51279493	4.386650357	4.132289653	5.220682001	5.670831818	5.575917361	5.255500733	5.329123596	5.048759312	4.949534933	3.707457368	5.587964989	5.03562391	4.385431037	4.916476644	5.781359714	5.070389328	2.678071905	3.871171158	0.765534746	4.372177438	3.07898147	1.632268215	5.031218731	5.197708158	4.812498225	5.491853096	5.44625623	5.332707934	5.161887682	5.395748328	4.255500733	2.925999419	3.321928095	3.786596362	5.091699834	3.087462841	4.958842675	3.972692654	4.529820947	3.765534746	3.963474124	4.017921908	4.307428525	2.944858446	3.292781749	2.232660757
Anserine	2.925999419	5.266786541	2.632268215	3.121015401	3.217230716	3.087462841	3.201633861	1.722466024	3.10433666	2.459431619	2.350497247	4.267971277	2.560714954	2.632268215	1	3.523561956	1.263034406	3.053111336	2.608809243	3.655351829	3.153805336	4.705977902	5.091699834	4.584962501	1.765534746	2.321928095	2.608809243	1.678071905	1.738369817	2.678071905	0.678071905	5.240314329	4.930737338	5.213347282	5.193771743	1.137503524	2.321928095	3.260722023	1.263034406	2.591453185	1.937087163	4.566815154	3.744161096	3.916476644	4.529820947	5.031218731	3.392317423	5.048759312	3.392317423	1.722466024	2.571600103	5.357552005	2.655351829	3.925999419
Galactarate	5.997744026	5.749534268	5.87774425	4.548436625	5.539158811	3.560714954	6.157852169	6.23457796	6.341630009	5.575188096	6.183995791	6.369815424	5.988684687	7.610286657	6.960001932	7.40599236	6.900866808	7.075746538	6.129283017	5.882643049	5.435518615	6.444600814	6.44625623	6.696272084	4.412781525	3.754887502	4.439623138	4.255500733	4.217230716	6.173926932	7.77478706	6.76420813	6.925999419	8.769837844	6.799605422	7.544578117	5.314696526	6.14363831	6.14363831	6.760220946	5.986410935	7.524345816	6.586464526	6.078951341	5.314696526	8.373735202	8.168421411	6.602884409	4.968090752	4.121015401	7.12722055	8.566054038	8.758556362	7.666756592
N-Acetylglucosamine	2.678071905	4.634958841	3.890315495	4.819903664	4.265612412	4.292800563	3.767715933	4.336283388	5.221103725	4.766749645	4.478971805	5.766391371	3.307428525	4.44625623	4.419538892	5.070389328	3.572889668	2.722466024	3.916476644	3.666756592	4.452858965	3.711494907	4.314696526	5.28169825	4.504620392	5.744161096	3.925999419	3.682358557	1.584962501	3.444118172	3.887525271	3.169925001	3.689299161	4.770829046	4.193771743	4.963474124	5.292781749	3.678071905	3.733354341	4.121015401	3.414934848	4.087462841	4.145677455	5.911691582	5.935459748	4.99095486	5.205548911	5.83541884	4.378511623	5.157852169	3.699980975	4.727920455	4.862947248	4.432959407
NMR_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG	PubChem
N-Acetylaspartic acid	C01042	65065
Pyridoxine	C00314	1054
Acetylsalicylate	C01405	2244
Dimethylamine	C00543	674
Pyruvate	C00022	1060
Xanthurenate	C02470	5699
Maltose	-	439186
Acetate	C00033	176
Valine	C00183	6287
glycerone	C00184	670
Ferulate	C01494	445858
glycerate 2-phosphate	-	59
Galactitol	C01697	11850
xylitol	C00379	6912
acetol	C01405	2244
Caffeine	C07481	2519
Glucarate	C00818	33037
Malonate	C00383	3673
Isobutyrate	C02632	6590
Biotin	C00120	171548
Ascorbate	C00072	3372
5-aminolevulinic acid	C00430	137
2-methylmaleate	C02226	643798
Glycine	C00037	750
3-methylhistidine	C01152	64969
Ethylene glycol	C01380	174
Thymine	C00178	1135
4-aminobutyrate	C00334	119
Methylguanidine	C02294	10111
Fructose	C10906	5984
Fucose	-	17106
Histamine	C00388	774
sorbitol	C00794	5780
xanthine	C00385	1188
Sarcosine	C00213	1088
1,7-dimethylxanthine	C13747	4687
5-Hydroxyindole-3-acetic acid	C05635	1826
Guanidoacetate	C00581	763
Lactose	-	440995
Creatine	C00300	586
Syringate	C10833	10742
Glycerate	C00258	439194
Uridine	C00299	6029
3-hydroxyphenylacetic acid	C05593	12122
Phosphocholine	C00588	1014
Dimethylglycine	C01026	673
Glycolate	C00160	3460
Sucrose	C00089	5988
Trimethylamine	C00565	1146
3-hydroxyisovalerate	C20827	254741293
Anserine	C01262	112072
Galactarate	C00879	3037582
N-Acetylglucosamine	C00140	439174
METABOLITES_END
#END