#METABOLOMICS WORKBENCH milansavani_20220714_092133 DATATRACK_ID:3339 STUDY_ID:ST002231 ANALYSIS_ID:AN003641 PROJECT_ID:PR001421
VERSION             	1
CREATED_ON             	July 15, 2022, 9:41 am
#PROJECT
PR:PROJECT_TITLE                 	De Novo Pyrimidine Synthesis is a Targetable Vulnerability in IDH Mutant Glioma
PR:PROJECT_TYPE                  	LC-MS Quantitative Analysis
PR:PROJECT_SUMMARY               	Mutations affecting isocitrate dehydrogenase (IDH) enzymes are prevalent in
PR:PROJECT_SUMMARY               	glioma, leukemia, and other cancers. Although mutant IDH inhibitors are
PR:PROJECT_SUMMARY               	effective against leukemia, they appear less active in aggressive glioma,
PR:PROJECT_SUMMARY               	underscoring the need for alternative treatment strategies. Through a chemical
PR:PROJECT_SUMMARY               	synthetic lethality screen, we discovered that IDH1 mutant glioma cells are
PR:PROJECT_SUMMARY               	hypersensitive to drugs targeting enzymes in the de novo pyrimidine nucleotide
PR:PROJECT_SUMMARY               	synthesis pathway, including dihydroorotate dehydrogenase (DHODH). We developed
PR:PROJECT_SUMMARY               	a genetically engineered mouse model of mutant IDH1-driven astrocytoma and used
PR:PROJECT_SUMMARY               	it and multiple patient-derived models to show that the brain-penetrant DHODH
PR:PROJECT_SUMMARY               	inhibitor BAY 2402234 displays monotherapy efficacy against IDH mutant gliomas.
PR:PROJECT_SUMMARY               	Mechanistically, this reflects an obligate dependence of glioma cells on the de
PR:PROJECT_SUMMARY               	novo pyrimidine synthesis pathway and mutant IDH’s ability to sensitize to DNA
PR:PROJECT_SUMMARY               	damage upon nucleotide pool imbalance. Our work outlines a tumor-selective,
PR:PROJECT_SUMMARY               	biomarker-guided therapeutic strategy that is poised for clinical translation.
PR:INSTITUTE                     	UT Southwestern Medical Center
PR:DEPARTMENT                    	Children's Research Institute
PR:LABORATORY                    	McBrayer Laboratory
PR:LAST_NAME                     	McBrayer
PR:FIRST_NAME                    	Samuel
PR:ADDRESS                       	6000 Harry Hines Boulevard, NL11.110K, Dallas, Texas, 75235, USA
PR:EMAIL                         	samuel.mcbrayer@utsouthwestern.edu
PR:PHONE                         	(214)-648-3730
#STUDY
ST:STUDY_TITLE                   	Metabolomics Analysis of HOG-EV and HOG-R132H Cells with and without BAY 2402234
ST:STUDY_TITLE                   	Treatment
ST:STUDY_TYPE                    	Metabolomics Analysis
ST:STUDY_SUMMARY                 	HOG cells were plated in 6-well plates (0.5 × 10^6 cells per well). 24 hours
ST:STUDY_SUMMARY                 	later, HOG-EV or HOG-R132H cells were treated for 24 hours with 10 nM BAY
ST:STUDY_SUMMARY                 	2402234 or DMSO. Cells were then harvested for LC-MS analysis.
ST:INSTITUTE                     	UT Southwestern Medical Center
ST:DEPARTMENT                    	Children's Research Institute
ST:LABORATORY                    	McBrayer Laboratory
ST:LAST_NAME                     	McBrayer
ST:FIRST_NAME                    	Samuel
ST:ADDRESS                       	6000 Harry Hines Boulevard, NL10.110K, Dallas, TX 75235, USA
ST:EMAIL                         	samuel.mcbrayer@utsouthwestern.edu
ST:PHONE                         	(214)-648-3730
ST:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	1
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENOTYPE_STRAIN               	HOG
SU:GENDER                        	Male
SU:CELL_STRAIN_DETAILS           	Human oligodendroglioma cell line
SU:CELL_COUNTS                   	500,000
#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           	N/A	Blank	Genotype:N/A | Treatment:N/A	Replicate=N/A; Polarity=Positive; RAW_FILE_NAME=Blank01.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-01_Negative	Genotype:HOG EV | Treatment:DMSO	Replicate=A1; Polarity=Negative; RAW_FILE_NAME=ML_01_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-01_Positive	Genotype:HOG EV | Treatment:DMSO	Replicate=A1; Polarity=Positive; RAW_FILE_NAME=ML_01_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-02_Negative	Genotype:HOG EV | Treatment:DMSO	Replicate=A2; Polarity=Negative; RAW_FILE_NAME=ML_02_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-02_Positive	Genotype:HOG EV | Treatment:DMSO	Replicate=A2; Polarity=Positive; RAW_FILE_NAME=ML_02_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-03_Negative	Genotype:HOG EV | Treatment:BAY2402234	Replicate=A1; Polarity=Negative; RAW_FILE_NAME=ML_03_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-03_Positive	Genotype:HOG EV | Treatment:BAY2402234	Replicate=A1; Polarity=Positive; RAW_FILE_NAME=ML_03_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-04_Negative	Genotype:HOG EV | Treatment:BAY2402234	Replicate=A2; Polarity=Negative; RAW_FILE_NAME=ML_04_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-04_Positive	Genotype:HOG EV | Treatment:BAY2402234	Replicate=A2; Polarity=Positive; RAW_FILE_NAME=ML_04_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-05_Negative	Genotype:HOG R132H | Treatment:DMSO	Replicate=A1; Polarity=Negative; RAW_FILE_NAME=ML_05_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-05_Positive	Genotype:HOG R132H | Treatment:DMSO	Replicate=A1; Polarity=Positive; RAW_FILE_NAME=ML_05_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-06_Negative	Genotype:HOG R132H | Treatment:DMSO	Replicate=A2; Polarity=Negative; RAW_FILE_NAME=ML_06_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-06_Positive	Genotype:HOG R132H | Treatment:DMSO	Replicate=A2; Polarity=Positive; RAW_FILE_NAME=ML_06_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-07_Negative	Genotype:HOG R132H | Treatment:BAY2402234	Replicate=A1; Polarity=Negative; RAW_FILE_NAME=ML_07_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-07_Positive	Genotype:HOG R132H | Treatment:BAY2402234	Replicate=A1; Polarity=Positive; RAW_FILE_NAME=ML_07_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-08_Negative	Genotype:HOG R132H | Treatment:BAY2402234	Replicate=A2; Polarity=Negative; RAW_FILE_NAME=ML_08_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-08_Positive	Genotype:HOG R132H | Treatment:BAY2402234	Replicate=A2; Polarity=Positive; RAW_FILE_NAME=ML_08_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-09_Negative	Genotype:HOG EV | Treatment:DMSO	Replicate=B1; Polarity=Negative; RAW_FILE_NAME=ML_09_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-09_Positive	Genotype:HOG EV | Treatment:DMSO	Replicate=B1; Polarity=Positive; RAW_FILE_NAME=ML_09_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-10_Negative	Genotype:HOG EV | Treatment:DMSO	Replicate=B2; Polarity=Negative; RAW_FILE_NAME=ML_10_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-10_Positive	Genotype:HOG EV | Treatment:DMSO	Replicate=B2; Polarity=Positive; RAW_FILE_NAME=ML_10_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-11_Negative	Genotype:HOG EV | Treatment:BAY2402234	Replicate=B1; Polarity=Negative; RAW_FILE_NAME=ML_11_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-11_Positive	Genotype:HOG EV | Treatment:BAY2402234	Replicate=B1; Polarity=Positive; RAW_FILE_NAME=ML_11_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-12_Negative	Genotype:HOG EV | Treatment:BAY2402234	Replicate=B2; Polarity=Negative; RAW_FILE_NAME=ML_12_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-12_Positive	Genotype:HOG EV | Treatment:BAY2402234	Replicate=B2; Polarity=Positive; RAW_FILE_NAME=ML_12_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-13_Negative	Genotype:HOG R132H | Treatment:DMSO	Replicate=B1; Polarity=Negative; RAW_FILE_NAME=ML_13_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-13_Positive	Genotype:HOG R132H | Treatment:DMSO	Replicate=B1; Polarity=Positive; RAW_FILE_NAME=ML_13_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-14_Negative	Genotype:HOG R132H | Treatment:DMSO	Replicate=B2; Polarity=Negative; RAW_FILE_NAME=ML_14_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-14_Positive	Genotype:HOG R132H | Treatment:DMSO	Replicate=B2; Polarity=Positive; RAW_FILE_NAME=ML_14_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-15_Negative	Genotype:HOG R132H | Treatment:BAY2402234	Replicate=B1; Polarity=Negative; RAW_FILE_NAME=ML_15_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-15_Positive	Genotype:HOG R132H | Treatment:BAY2402234	Replicate=B1; Polarity=Positive; RAW_FILE_NAME=ML_15_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-16_Negative	Genotype:HOG R132H | Treatment:BAY2402234	Replicate=B2; Polarity=Negative; RAW_FILE_NAME=ML_16_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-16_Positive	Genotype:HOG R132H | Treatment:BAY2402234	Replicate=B2; Polarity=Positive; RAW_FILE_NAME=ML_16_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-17_Negative	Genotype:HOG EV | Treatment:DMSO	Replicate=C1; Polarity=Negative; RAW_FILE_NAME=ML_17_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-17_Positive	Genotype:HOG EV | Treatment:DMSO	Replicate=C1; Polarity=Positive; RAW_FILE_NAME=ML_17_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-18_Negative	Genotype:HOG EV | Treatment:DMSO	Replicate=C2; Polarity=Negative; RAW_FILE_NAME=ML_18_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-18_Positive	Genotype:HOG EV | Treatment:DMSO	Replicate=C2; Polarity=Positive; RAW_FILE_NAME=ML_18_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-19_Negative	Genotype:HOG EV | Treatment:BAY2402234	Replicate=C1; Polarity=Negative; RAW_FILE_NAME=ML_19_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-19_Positive	Genotype:HOG EV | Treatment:BAY2402234	Replicate=C1; Polarity=Positive; RAW_FILE_NAME=ML_19_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-20_Negative	Genotype:HOG EV | Treatment:BAY2402234	Replicate=C2; Polarity=Negative; RAW_FILE_NAME=ML_20_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-20_Positive	Genotype:HOG EV | Treatment:BAY2402234	Replicate=C2; Polarity=Positive; RAW_FILE_NAME=ML_20_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-21_Negative	Genotype:HOG R132H | Treatment:DMSO	Replicate=C1; Polarity=Negative; RAW_FILE_NAME=ML_21_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-21_Positive	Genotype:HOG R132H | Treatment:DMSO	Replicate=C1; Polarity=Positive; RAW_FILE_NAME=ML_21_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-22_Negative	Genotype:HOG R132H | Treatment:DMSO	Replicate=C2; Polarity=Negative; RAW_FILE_NAME=ML_22_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-22_Positive	Genotype:HOG R132H | Treatment:DMSO	Replicate=C2; Polarity=Positive; RAW_FILE_NAME=ML_22_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-23_Negative	Genotype:HOG R132H | Treatment:BAY2402234	Replicate=C1; Polarity=Negative; RAW_FILE_NAME=ML_23_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-23_Positive	Genotype:HOG R132H | Treatment:BAY2402234	Replicate=C1; Polarity=Positive; RAW_FILE_NAME=ML_23_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-24_Negative	Genotype:HOG R132H | Treatment:BAY2402234	Replicate=C2; Polarity=Negative; RAW_FILE_NAME=ML_24_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-24_Positive	Genotype:HOG R132H | Treatment:BAY2402234	Replicate=C2; Polarity=Positive; RAW_FILE_NAME=ML_24_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-25_Negative	Genotype:HOG EV | Treatment:DMSO	Replicate=D1; Polarity=Negative; RAW_FILE_NAME=ML_25_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-25_Positive	Genotype:HOG EV | Treatment:DMSO	Replicate=D1; Polarity=Positive; RAW_FILE_NAME=ML_25_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-26_Negative	Genotype:HOG EV | Treatment:DMSO	Replicate=D2; Polarity=Negative; RAW_FILE_NAME=ML_26_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-26_Positive	Genotype:HOG EV | Treatment:DMSO	Replicate=D2; Polarity=Positive; RAW_FILE_NAME=ML_26_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-27_Negative	Genotype:HOG EV | Treatment:BAY2402234	Replicate=D1; Polarity=Negative; RAW_FILE_NAME=ML_27_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-27_Positive	Genotype:HOG EV | Treatment:BAY2402234	Replicate=D1; Polarity=Positive; RAW_FILE_NAME=ML_27_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-28_Negative	Genotype:HOG EV | Treatment:BAY2402234	Replicate=D2; Polarity=Negative; RAW_FILE_NAME=ML_28_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-28_Positive	Genotype:HOG EV | Treatment:BAY2402234	Replicate=D2; Polarity=Positive; RAW_FILE_NAME=ML_28_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-29_Negative	Genotype:HOG R132H | Treatment:DMSO	Replicate=D1; Polarity=Negative; RAW_FILE_NAME=ML_29_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-29_Positive	Genotype:HOG R132H | Treatment:DMSO	Replicate=D1; Polarity=Positive; RAW_FILE_NAME=ML_29_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-30_Negative	Genotype:HOG R132H | Treatment:DMSO	Replicate=D2; Polarity=Negative; RAW_FILE_NAME=ML_30_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-30_Positive	Genotype:HOG R132H | Treatment:DMSO	Replicate=D2; Polarity=Positive; RAW_FILE_NAME=ML_30_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-31_Negative	Genotype:HOG R132H | Treatment:BAY2402234	Replicate=D1; Polarity=Negative; RAW_FILE_NAME=ML_31_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-31_Positive	Genotype:HOG R132H | Treatment:BAY2402234	Replicate=D1; Polarity=Positive; RAW_FILE_NAME=ML_31_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-32_Negative	Genotype:HOG R132H | Treatment:BAY2402234	Replicate=D2; Polarity=Negative; RAW_FILE_NAME=ML_32_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-32_Positive	Genotype:HOG R132H | Treatment:BAY2402234	Replicate=D2; Polarity=Positive; RAW_FILE_NAME=ML_32_pos.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-33_Negative	Genotype:Pooled Sample | Treatment:N/A	Replicate=N/A; Polarity=Negative; RAW_FILE_NAME=ML_33_neg.raw
SUBJECT_SAMPLE_FACTORS           	HOG	ML-33_Positive	Genotype:Pooled Sample | Treatment:N/A	Replicate=N/A; Polarity=Positive; RAW_FILE_NAME=ML_33_pos.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	Cells were washed with ice-cold saline and snap frozen in liquid nitrogen.
CO:SAMPLE_TYPE                   	Cultured cells
#TREATMENT
TR:TREATMENT_SUMMARY             	24 hours after plating, HOG-EV or HOG-R132H cells were treated for 24 hours with
TR:TREATMENT_SUMMARY             	10 nM BAY 2402234 or DMSO.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Metabolites were extracted in 80% methanol, vortexed for 20 min at 4°C, and
SP:SAMPLEPREP_SUMMARY            	centrifuged (21,100 × g for 10 min at 4°C). Metabolite samples were dried
SP:SAMPLEPREP_SUMMARY            	using a CentriVap (Labconco) or SpeedVac (Thermo Fisher) concentrator. Dried
SP:SAMPLEPREP_SUMMARY            	metabolites were resuspended in 40-50 µL 80% acetonitrile, vortexed for 20 min
SP:SAMPLEPREP_SUMMARY            	at 4°C, and centrifuged (21,100 × g for 10 min at 4°C). 10 µL was injected
SP:SAMPLEPREP_SUMMARY            	and analyzed with a Q-Exactive HF-X hybrid quadrupole-orbitrap mass spectrometer
SP:SAMPLEPREP_SUMMARY            	(Thermo Fisher) coupled to a Vanquish Flex UHPLC system (Thermo Fisher).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Chromatographic resolution of metabolites was achieved using on a Millipore
CH:CHROMATOGRAPHY_SUMMARY        	ZIC-pHILIC column using a linear gradient of 10 mM ammonium formate pH 9.8 and
CH:CHROMATOGRAPHY_SUMMARY        	acetonitrile.
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Vanquish Flex UHPLC
CH:COLUMN_NAME                   	Millipore ZIC-pHILIC
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	McBrayer Laboratory
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive HF-X Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Spectra were acquired with a resolving power of 60,000 full width at half
MS:MS_COMMENTS                   	maximum (FWHM), a scan range set to 80–1,200 m/z, and polarity switching.
MS:MS_COMMENTS                   	Data-dependent MS/MS data was acquired on unlabeled pooled samples to confirm
MS:MS_COMMENTS                   	metabolite IDs when necessary. Peaks were integrated using El-Maven 0.12.0
MS:MS_COMMENTS                   	software (Elucidata) or TraceFinder 5.1 SP2 software (Thermo Fisher). Total ion
MS:MS_COMMENTS                   	counts were quantified using Freestyle 1.7 SP1 software (Thermo Fisher). Peaks
MS:MS_COMMENTS                   	were normalized to total ion counts using the R statistical programming
MS:MS_COMMENTS                   	language.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	TIC-Corrected Peak Area
MS_METABOLITE_DATA_START
Samples	ML-01_Negative	ML-02_Negative	ML-03_Negative	ML-04_Negative	ML-05_Negative	ML-06_Negative	ML-07_Negative	ML-08_Negative	ML-09_Negative	ML-10_Negative	ML-11_Negative	ML-12_Negative	ML-13_Negative	ML-14_Negative	ML-15_Negative	ML-16_Negative	ML-17_Negative	ML-18_Negative	ML-19_Negative	ML-20_Negative	ML-21_Negative	ML-22_Negative	ML-23_Negative	ML-24_Negative	ML-25_Negative	ML-26_Negative	ML-27_Negative	ML-28_Negative	ML-29_Negative	ML-30_Negative	ML-31_Negative	ML-32_Negative	ML-33_Negative
Factors	Genotype:HOG EV | Treatment:DMSO	Genotype:HOG EV | Treatment:DMSO	Genotype:HOG EV | Treatment:BAY2402234	Genotype:HOG EV | Treatment:BAY2402234	Genotype:HOG R132H | Treatment:DMSO	Genotype:HOG R132H | Treatment:DMSO	Genotype:HOG R132H | Treatment:BAY2402234	Genotype:HOG R132H | Treatment:BAY2402234	Genotype:HOG EV | Treatment:DMSO	Genotype:HOG EV | Treatment:DMSO	Genotype:HOG EV | Treatment:BAY2402234	Genotype:HOG EV | Treatment:BAY2402234	Genotype:HOG R132H | Treatment:DMSO	Genotype:HOG R132H | Treatment:DMSO	Genotype:HOG R132H | Treatment:BAY2402234	Genotype:HOG R132H | Treatment:BAY2402234	Genotype:HOG EV | Treatment:DMSO	Genotype:HOG EV | Treatment:DMSO	Genotype:HOG EV | Treatment:BAY2402234	Genotype:HOG EV | Treatment:BAY2402234	Genotype:HOG R132H | Treatment:DMSO	Genotype:HOG R132H | Treatment:DMSO	Genotype:HOG R132H | Treatment:BAY2402234	Genotype:HOG R132H | Treatment:BAY2402234	Genotype:HOG EV | Treatment:DMSO	Genotype:HOG EV | Treatment:DMSO	Genotype:HOG EV | Treatment:BAY2402234	Genotype:HOG EV | Treatment:BAY2402234	Genotype:HOG R132H | Treatment:DMSO	Genotype:HOG R132H | Treatment:DMSO	Genotype:HOG R132H | Treatment:BAY2402234	Genotype:HOG R132H | Treatment:BAY2402234	Genotype:Pooled Sample | Treatment:N/A
1-Hydroxy-2-naphthoate	3.58E+06	3.73E+06	3.45E+06	2.83E+06	5.01E+06	3.54E+06	4.71E+06	3.64E+06	3.04E+06	4.11E+06	3.33E+06	4.38E+06	4.04E+06	4.18E+06	4.50E+06	4.37E+06	3.94E+06	4.38E+06	4.73E+06	4.77E+06	4.23E+06	3.46E+06	3.88E+06	4.94E+06	4.47E+06	4.67E+06	4.36E+06	3.87E+06	3.73E+06	3.21E+06	3.60E+06	4.16E+06	3.86E+06
2',4'-Dihydroxyacetophenone	4.78E+07	1.83E+07	6.28E+07	1.62E+07	1.06E+08	1.95E+07	4.41E+07	1.60E+07	2.62E+07	1.88E+07	2.34E+07	2.38E+07	1.66E+07	2.74E+07	3.33E+07	2.23E+07	2.23E+07	3.08E+07	2.22E+07	2.23E+07	2.00E+07	1.98E+07	2.85E+07	2.46E+07	3.71E+07	2.30E+07	2.09E+07	2.63E+07	2.26E+07	3.37E+07	2.91E+07	4.58E+07	4.06E+07
2-/3-Phosphoglycerate	1.58E+07	1.73E+07	2.73E+07	2.16E+07	1.84E+07	4.19E+07	4.61E+07	7.20E+07	7.61E+07	2.13E+07	1.48E+07	2.57E+07	3.98E+07	3.29E+07	5.55E+07	2.48E+07	3.18E+07	3.01E+07	1.35E+07	2.56E+07	3.01E+07	3.94E+07	3.00E+07	1.50E+07	2.65E+07	2.18E+07	2.89E+07	3.25E+07	3.22E+07	3.84E+07	1.63E+07	9.02E+06	3.44E+07
2-Hydroxy-4-(methylthio)butanoate	2.55E+06	2.51E+06	1.76E+06	1.22E+06	3.36E+06	3.87E+06	2.72E+06	2.13E+06	4.32E+06	2.82E+06	1.25E+06	1.92E+06	3.46E+06	3.07E+06	2.30E+06	1.67E+06	2.94E+06	3.52E+06	1.23E+06	1.62E+06	3.01E+06	3.33E+06	1.72E+06	1.74E+06	3.19E+06	2.75E+06	2.02E+06	1.39E+06	3.82E+06	4.26E+06	1.99E+06	2.09E+06	2.95E+06
2-Hydroxybutyrate	3.54E+07	4.12E+07	4.01E+07	2.88E+07	4.10E+07	6.10E+07	5.44E+07	5.17E+07	7.23E+07	3.96E+07	2.42E+07	2.94E+07	4.41E+07	4.03E+07	4.55E+07	3.05E+07	3.87E+07	3.88E+07	2.01E+07	2.80E+07	3.67E+07	4.14E+07	2.86E+07	2.36E+07	3.74E+07	3.25E+07	3.72E+07	2.75E+07	4.88E+07	5.76E+07	3.87E+07	2.79E+07	4.20E+07
2-Hydroxyglutarate	1.04E+09	9.60E+08	6.53E+08	4.73E+08	2.75E+10	4.58E+10	2.87E+10	3.20E+10	1.43E+09	7.52E+08	3.73E+08	3.85E+08	3.32E+10	3.21E+10	3.20E+10	2.07E+10	1.02E+09	8.60E+08	3.10E+08	4.69E+08	2.78E+10	3.17E+10	2.33E+10	1.78E+10	9.88E+08	9.14E+08	4.81E+08	4.68E+08	3.19E+10	3.91E+10	1.63E+10	1.36E+10	2.08E+10
2-Hydroxyphenylacetate	2.24E+06	2.08E+06	2.53E+06	2.29E+06	2.73E+06	2.35E+06	2.81E+06	2.47E+06	2.68E+06	2.48E+06	2.26E+06	2.65E+06	2.55E+06	2.62E+06	3.01E+06	2.73E+06	2.55E+06	2.21E+06	2.31E+06	2.78E+06	2.15E+06	2.03E+06	2.22E+06	2.48E+06	2.45E+06	2.36E+06	2.27E+06	2.69E+06	2.60E+06	2.20E+06	2.16E+06	2.35E+06	2.62E+06
2-Mannosyl-3-phosphoglycerate	5.36E+06	6.75E+06	1.56E+06	7.91E+05	2.57E+06	6.77E+06	1.99E+06	2.96E+06	1.56E+07	4.74E+06	9.51E+05	1.28E+06	5.26E+06	4.65E+06	1.49E+06	4.92E+05	8.52E+06	7.53E+06	6.68E+05	1.80E+06	4.57E+06	5.24E+06	7.33E+05	8.10E+04	1.00E+07	7.87E+06	2.21E+06	1.92E+06	6.95E+06	8.65E+06	7.86E+05	1.12E+05	4.63E+06
3-(2-Hydroxyphenyl)propanoate	8.73E+07	8.77E+07	2.73E+07	2.40E+07	1.12E+08	1.00E+08	5.43E+07	4.39E+07	1.18E+08	9.09E+07	2.44E+07	3.30E+07	9.87E+07	9.47E+07	4.61E+07	3.94E+07	9.47E+07	1.02E+08	2.47E+07	2.85E+07	1.02E+08	1.08E+08	4.01E+07	4.23E+07	1.05E+08	1.14E+08	3.11E+07	2.65E+07	1.34E+08	1.26E+08	5.23E+07	5.52E+07	6.65E+07
3-(4-Hydroxyphenyl)pyruvate	1.36E+07	1.55E+07	1.01E+07	8.50E+06	1.83E+07	1.76E+07	1.36E+07	1.12E+07	2.08E+07	1.73E+07	7.11E+06	9.91E+06	1.80E+07	1.69E+07	1.15E+07	8.61E+06	1.68E+07	1.90E+07	4.92E+06	8.77E+06	1.40E+07	1.42E+07	4.69E+06	7.33E+06	1.27E+07	1.20E+07	5.49E+06	3.60E+06	9.86E+06	9.27E+06	6.28E+06	5.45E+06	1.11E+07
3-Dehydroshikimate	5.58E+06	5.06E+06	5.43E+06	4.61E+06	5.14E+06	5.12E+06	5.78E+06	6.38E+06	6.26E+06	4.81E+06	4.39E+06	3.76E+06	5.96E+06	5.55E+06	4.85E+06	5.58E+06	6.07E+06	5.43E+06	5.00E+06	5.54E+06	5.69E+06	5.79E+06	6.37E+06	4.82E+06	5.98E+06	7.11E+06	5.92E+06	5.31E+06	5.52E+06	6.27E+06	5.29E+06	5.62E+06	7.08E+06
3-Hydroxybutyrate	1.70E+07	1.96E+07	2.96E+07	2.28E+07	1.63E+07	2.71E+07	2.95E+07	2.84E+07	3.86E+07	1.85E+07	1.82E+07	2.39E+07	2.03E+07	1.86E+07	2.50E+07	1.55E+07	1.98E+07	2.03E+07	1.58E+07	2.25E+07	1.56E+07	1.86E+07	1.56E+07	1.26E+07	1.83E+07	1.45E+07	2.94E+07	2.15E+07	1.81E+07	2.00E+07	1.77E+07	1.23E+07	2.27E+07
3-Hydroxymethylglutarate	5.48E+08	5.81E+08	1.03E+09	8.26E+08	4.53E+08	7.47E+08	8.16E+08	9.15E+08	9.68E+08	5.50E+08	7.12E+08	7.59E+08	5.60E+08	5.58E+08	9.13E+08	6.22E+08	6.82E+08	6.33E+08	5.23E+08	8.10E+08	5.03E+08	5.57E+08	6.56E+08	5.03E+08	6.58E+08	6.16E+08	9.18E+08	8.69E+08	5.41E+08	6.43E+08	4.83E+08	4.05E+08	7.41E+08
3-Methyl-2-oxindole	5.21E+05	9.45E+05	1.08E+06	1.09E+06	7.19E+05	1.28E+06	1.32E+06	8.35E+05	1.94E+06	9.33E+05	5.95E+05	1.15E+06	1.03E+06	7.20E+05	1.26E+06	1.12E+06	7.48E+05	8.33E+05	6.84E+05	9.70E+05	5.66E+05	9.78E+05	4.09E+05	5.86E+05	7.67E+05	2.51E+05	7.68E+05	3.18E+05	3.65E+05	1.11E+06	5.65E+05	2.42E+05	4.28E+05
3-Methyl-2-oxovalerate	4.28E+10	4.10E+10	2.79E+10	2.69E+10	5.31E+10	4.53E+10	3.76E+10	3.34E+10	5.10E+10	4.29E+10	2.54E+10	3.06E+10	4.36E+10	4.01E+10	3.20E+10	2.51E+10	3.99E+10	4.08E+10	2.59E+10	2.56E+10	3.74E+10	3.96E+10	2.59E+10	2.82E+10	3.96E+10	4.22E+10	2.78E+10	2.08E+10	3.64E+10	3.92E+10	3.78E+10	3.68E+10	3.28E+10
3-Sulfinoalanine	1.05E+07	1.22E+07	6.65E+06	4.15E+06	1.28E+07	3.13E+07	4.58E+06	3.05E+06	1.88E+07	1.43E+07	2.25E+06	3.52E+06	2.09E+07	1.79E+07	3.69E+06	2.87E+06	1.22E+07	1.31E+07	3.86E+06	3.56E+06	1.98E+07	1.92E+07	1.07E+06	2.24E+06	1.66E+07	9.37E+06	5.21E+06	3.80E+06	1.45E+07	2.47E+07	4.54E+06	3.84E+06	1.24E+07
4-Pyridoxate	1.89E+07	1.60E+07	1.98E+07	2.07E+07	2.68E+07	2.24E+07	3.36E+07	3.10E+07	2.63E+07	2.23E+07	1.91E+07	2.48E+07	1.91E+07	1.91E+07	2.40E+07	1.95E+07	1.42E+07	1.69E+07	2.18E+07	1.97E+07	1.76E+07	1.73E+07	1.59E+07	2.02E+07	2.04E+07	2.08E+07	2.71E+07	1.58E+07	1.84E+07	2.01E+07	4.49E+07	4.29E+07	2.01E+07
6-Carboxyhexanoate	9.43E+05	1.37E+06	2.06E+06	1.28E+06	9.00E+05	5.95E+05	9.41E+05	9.72E+05	1.90E+06	1.48E+06	1.32E+06	2.20E+06	7.13E+05	6.16E+05	1.99E+06	1.91E+06	1.30E+06	4.65E+05	2.07E+06	2.17E+06	1.20E+06	4.65E+05	8.89E+05	5.42E+05	6.67E+05	2.09E+06	2.30E+06	3.27E+06	1.00E+06	9.19E+05	7.72E+05	1.19E+06	7.33E+05
6-Phosphogluconate	1.61E+07	1.47E+07	1.93E+07	1.36E+07	1.54E+07	4.19E+07	1.44E+07	2.19E+07	2.97E+07	8.31E+06	4.50E+06	6.68E+06	1.73E+07	1.35E+07	1.84E+07	8.31E+06	1.18E+07	1.16E+07	4.50E+06	8.20E+06	1.66E+07	2.35E+07	1.26E+07	5.97E+06	2.26E+07	1.23E+07	1.87E+07	1.48E+07	2.56E+07	4.49E+07	1.62E+07	1.03E+07	2.27E+07
Acetoin	2.79E+07	2.91E+07	2.80E+07	2.38E+07	2.38E+07	3.53E+07	2.14E+07	2.26E+07	4.35E+07	2.65E+07	1.88E+07	1.91E+07	2.66E+07	2.75E+07	2.33E+07	1.70E+07	3.25E+07	3.10E+07	1.62E+07	2.14E+07	2.38E+07	2.62E+07	1.74E+07	1.53E+07	3.32E+07	3.24E+07	3.27E+07	2.29E+07	2.65E+07	3.25E+07	1.61E+07	1.61E+07	2.70E+07
Acetylacrylate	1.34E+08	1.51E+08	1.76E+08	1.52E+08	1.54E+08	2.18E+08	2.66E+08	2.36E+08	2.73E+08	1.77E+08	1.43E+08	1.72E+08	1.76E+08	1.64E+08	1.95E+08	1.47E+08	1.59E+08	1.49E+08	1.40E+08	1.46E+08	1.37E+08	1.46E+08	1.14E+08	1.03E+08	1.48E+08	1.22E+08	2.00E+08	1.26E+08	1.33E+08	1.50E+08	2.06E+08	1.60E+08	1.78E+08
Adenosine diphosphate	9.43E+07	1.29E+08	2.08E+08	1.65E+08	1.30E+08	3.53E+08	2.25E+08	3.58E+08	4.17E+08	1.17E+08	9.23E+07	1.44E+08	2.08E+08	1.82E+08	2.89E+08	1.43E+08	1.65E+08	1.67E+08	8.55E+07	1.58E+08	1.44E+08	1.79E+08	1.65E+08	1.03E+08	2.21E+08	1.45E+08	1.89E+08	1.99E+08	1.90E+08	3.05E+08	1.09E+08	7.14E+07	1.94E+08
Adenosine diphosphate ribose	N/F	1.34E+05	9.27E+05	9.95E+05	1.10E+06	1.72E+06	9.33E+05	1.86E+06	2.08E+06	4.01E+05	3.85E+05	8.38E+05	5.30E+05	2.90E+05	1.70E+06	9.70E+05	7.56E+05	4.31E+05	2.20E+05	8.32E+05	9.33E+05	1.37E+06	1.43E+06	1.00E+06	9.18E+05	6.76E+05	1.08E+06	1.14E+06	1.66E+06	2.77E+06	1.06E+06	1.11E+05	2.28E+06
Adipate	6.23E+06	8.79E+06	1.11E+07	1.02E+07	6.09E+06	7.58E+06	6.95E+06	7.30E+06	1.08E+07	6.44E+06	7.05E+06	8.63E+06	5.67E+06	6.21E+06	9.44E+06	6.84E+06	8.08E+06	6.51E+06	6.65E+06	7.59E+06	5.80E+06	5.08E+06	5.20E+06	5.25E+06	6.07E+06	6.23E+06	6.99E+06	1.08E+07	8.76E+06	5.55E+06	4.63E+06	4.67E+06	7.30E+06
Ala-Leu	2.17E+06	2.19E+06	3.73E+06	4.09E+06	4.31E+06	7.20E+06	4.62E+06	6.38E+06	4.36E+06	2.85E+06	2.02E+06	3.62E+06	4.57E+06	4.41E+06	6.33E+06	5.00E+06	2.61E+06	2.77E+06	2.06E+06	3.25E+06	4.06E+06	4.04E+06	3.52E+06	3.28E+06	7.33E+06	5.45E+06	6.66E+06	7.68E+06	9.72E+06	1.26E+07	1.06E+07	8.44E+06	4.56E+06
Allantoin	3.21E+07	2.69E+07	2.56E+07	2.35E+07	3.55E+07	2.54E+07	3.00E+07	2.41E+07	2.27E+07	2.96E+07	2.57E+07	2.78E+07	3.00E+07	3.20E+07	2.86E+07	2.89E+07	3.02E+07	3.00E+07	2.56E+07	2.61E+07	2.86E+07	2.72E+07	2.45E+07	3.07E+07	3.09E+07	3.68E+07	2.49E+07	2.63E+07	3.02E+07	2.74E+07	2.13E+07	3.43E+07	2.15E+07
alpha-Ketoglutarate	1.09E+09	1.24E+09	4.94E+08	3.92E+08	6.34E+08	9.76E+08	5.37E+08	5.98E+08	2.16E+09	1.25E+09	4.41E+08	4.70E+08	9.36E+08	9.06E+08	6.25E+08	4.25E+08	1.73E+09	1.56E+09	3.49E+08	5.24E+08	6.76E+08	7.70E+08	4.22E+08	3.17E+08	1.19E+09	1.27E+09	3.78E+08	3.51E+08	6.67E+08	7.49E+08	3.09E+08	2.45E+08	8.68E+08
Aniline-2-sulfonate	3.16E+06	2.70E+06	4.60E+05	6.10E+05	4.99E+06	5.30E+06	1.40E+06	1.09E+06	3.35E+06	2.17E+06	3.59E+05	6.02E+05	2.27E+06	1.86E+06	7.89E+05	6.08E+05	1.68E+06	1.82E+06	2.50E+05	1.93E+05	2.04E+06	2.07E+06	1.88E+05	3.29E+05	2.71E+06	1.78E+06	8.36E+05	6.34E+05	2.82E+06	4.46E+06	1.42E+06	1.29E+06	1.98E+06
Aspartate	3.71E+08	4.16E+08	4.31E+09	3.50E+09	5.05E+08	9.02E+08	2.88E+09	3.17E+09	7.43E+08	4.49E+08	2.40E+09	2.88E+09	6.24E+08	5.56E+08	3.36E+09	2.15E+09	5.16E+08	4.51E+08	2.20E+09	3.42E+09	4.93E+08	5.35E+08	2.33E+09	1.69E+09	5.12E+08	4.06E+08	3.94E+09	3.77E+09	4.82E+08	5.95E+08	1.76E+09	1.40E+09	1.89E+09
Azelate	8.65E+06	1.47E+07	2.28E+07	1.21E+07	8.77E+06	1.75E+07	9.23E+06	1.88E+07	3.63E+07	1.25E+07	1.35E+07	1.48E+07	1.05E+07	1.12E+07	2.41E+07	1.91E+07	9.99E+06	1.57E+07	9.50E+06	2.68E+07	1.70E+07	8.32E+06	1.57E+07	1.17E+07	9.21E+06	8.57E+06	1.50E+07	3.42E+07	1.93E+07	8.29E+06	9.72E+06	6.99E+06	1.34E+07
cadaverine	1.78E+09	1.90E+09	3.31E+09	2.57E+09	2.12E+09	3.48E+09	3.94E+09	3.63E+09	3.43E+09	2.06E+09	1.87E+09	2.63E+09	2.53E+09	2.22E+09	3.58E+09	2.37E+09	1.94E+09	1.92E+09	1.73E+09	2.28E+09	2.01E+09	2.14E+09	2.21E+09	1.87E+09	1.97E+09	1.51E+09	3.08E+09	2.53E+09	2.18E+09	2.66E+09	2.45E+09	1.90E+09	2.69E+09
CDP-ethanolamine	2.37E+05	2.81E+05	4.41E+05	3.54E+05	2.90E+05	6.17E+05	3.49E+05	4.40E+05	6.65E+05	2.37E+05	1.22E+05	1.83E+05	3.86E+05	3.45E+05	4.28E+05	2.36E+05	3.20E+05	3.38E+05	1.59E+05	2.79E+05	2.91E+05	3.75E+05	3.43E+05	1.80E+05	5.32E+05	4.39E+05	5.90E+05	5.73E+05	6.12E+05	9.09E+05	2.45E+05	1.83E+05	4.12E+05
Citrate/Isocitrate	7.08E+09	7.15E+09	4.90E+09	3.73E+09	6.23E+09	1.04E+10	5.72E+09	6.55E+09	1.06E+10	4.80E+09	9.72E+08	1.53E+09	5.73E+09	5.17E+09	4.45E+09	2.07E+09	5.33E+09	4.97E+09	9.01E+08	1.53E+09	4.29E+09	5.14E+09	2.64E+09	1.34E+09	5.60E+09	4.32E+09	2.14E+09	1.75E+09	5.12E+09	7.39E+09	1.86E+09	1.09E+09	4.69E+09
Cyclic ADP-ribose	2.12E+08	2.68E+08	6.29E+08	4.45E+08	2.92E+08	6.67E+08	5.08E+08	6.68E+08	5.82E+08	2.14E+08	2.64E+08	3.30E+08	3.62E+08	3.31E+08	6.57E+08	3.31E+08	3.06E+08	2.90E+08	2.19E+08	3.96E+08	3.11E+08	3.84E+08	4.24E+08	2.53E+08	3.28E+08	2.54E+08	5.05E+08	4.83E+08	4.12E+08	6.00E+08	2.48E+08	1.79E+08	4.62E+08
Cytidine	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F
Decanoate	1.78E+08	1.81E+08	2.51E+08	1.46E+08	1.97E+08	1.51E+08	1.78E+08	1.64E+08	1.57E+08	1.47E+08	1.62E+08	1.83E+08	1.55E+08	1.74E+08	1.94E+08	1.78E+08	1.98E+08	1.85E+08	1.79E+08	1.99E+08	1.64E+08	1.46E+08	1.51E+08	1.80E+08	2.19E+08	2.32E+08	1.79E+08	1.83E+08	1.79E+08	1.63E+08	1.73E+08	2.23E+08	1.89E+08
Deoxyadenosine triphosphate	N/F	1.78E+05	2.74E+06	1.70E+06	3.17E+05	6.15E+05	9.00E+05	1.55E+06	1.22E+06	8.58E+04	2.11E+05	7.16E+05	N/F	N/F	1.12E+06	3.25E+05	2.57E+05	2.05E+05	4.11E+05	1.06E+06	N/F	1.02E+05	5.84E+05	1.31E+05	2.43E+05	5.55E+04	1.60E+06	1.31E+06	6.92E+04	5.38E+05	8.74E+05	3.98E+05	3.55E+05
Deoxycytidine diphosphate	1.35E+06	6.16E+05	3.16E+05	4.68E+05	4.63E+05	4.68E+05	1.51E+05	1.50E+05	5.79E+05	5.84E+05	5.64E+05	2.54E+05	4.09E+05	4.14E+05	1.54E+05	1.73E+05	4.35E+05	3.96E+05	4.00E+05	2.56E+05	3.19E+05	2.98E+05	1.18E+05	2.17E+05	4.28E+05	5.24E+05	1.07E+05	1.44E+05	3.23E+05	4.04E+05	8.10E+04	1.88E+05	2.26E+05
Deoxycytidine monophosphate	1.02E+07	6.34E+06	1.07E+07	9.67E+06	6.61E+06	1.30E+07	1.23E+07	1.23E+07	1.48E+07	8.52E+06	8.65E+06	9.27E+06	8.38E+06	8.42E+06	1.35E+07	8.20E+06	8.60E+06	9.53E+06	8.30E+06	1.08E+07	7.40E+06	8.17E+06	1.03E+07	7.86E+06	1.01E+07	8.28E+06	1.45E+07	1.81E+07	9.89E+06	1.37E+07	6.40E+06	5.08E+06	1.05E+07
Deoxycytidine triphosphate	9.21E+05	1.09E+06	5.18E+05	4.26E+05	1.05E+06	2.69E+06	5.30E+05	9.26E+05	2.59E+06	7.37E+05	3.41E+05	5.76E+05	1.41E+06	1.23E+06	1.28E+06	6.36E+05	1.14E+06	1.18E+06	4.13E+05	6.95E+05	1.01E+06	1.30E+06	7.14E+05	4.66E+05	2.10E+06	1.33E+06	1.20E+06	1.24E+06	1.58E+06	2.68E+06	7.59E+05	4.67E+05	1.22E+06
Deoxyguanosine diphosphate	2.38E+07	2.92E+07	4.88E+07	3.67E+07	2.83E+07	6.83E+07	3.55E+07	5.07E+07	5.58E+07	1.70E+07	1.43E+07	2.20E+07	2.70E+07	2.32E+07	3.72E+07	1.93E+07	2.03E+07	2.09E+07	1.40E+07	2.17E+07	1.94E+07	2.25E+07	1.96E+07	1.61E+07	3.28E+07	2.23E+07	2.92E+07	2.95E+07	2.76E+07	4.53E+07	1.99E+07	1.40E+07	2.64E+07
Deoxyinosine	5.58E+04	1.98E+05	3.01E+06	2.95E+06	4.39E+05	5.87E+05	3.39E+06	3.95E+06	3.33E+05	9.84E+04	2.51E+06	2.54E+06	3.44E+05	2.54E+05	4.16E+06	3.35E+06	2.09E+05	4.60E+05	2.24E+06	3.35E+06	1.96E+05	2.31E+05	2.75E+06	3.00E+06	3.05E+05	3.99E+05	5.14E+06	4.28E+06	4.72E+05	3.82E+05	1.49E+06	1.72E+06	1.49E+06
Deoxyinosine diphosphate	2.41E+07	1.13E+07	1.25E+07	1.70E+07	9.10E+06	1.00E+07	2.00E+07	2.07E+07	1.51E+07	1.32E+07	1.44E+07	1.17E+07	9.03E+06	7.85E+06	1.10E+07	1.04E+07	8.21E+06	6.28E+06	1.55E+07	1.43E+07	6.36E+06	6.75E+06	8.44E+06	8.71E+06	1.08E+07	9.33E+06	1.66E+07	9.26E+06	6.79E+06	5.97E+06	1.72E+07	1.81E+07	1.07E+07
Deoxypentose monophosphates	4.06E+06	1.03E+07	1.24E+07	1.02E+07	9.76E+06	1.55E+07	2.22E+07	1.79E+07	2.18E+07	1.04E+07	8.57E+06	1.20E+07	1.14E+07	8.95E+06	1.49E+07	9.50E+06	8.84E+06	8.57E+06	9.44E+06	9.88E+06	8.23E+06	1.05E+07	7.90E+06	6.64E+06	8.66E+06	6.26E+06	1.56E+07	7.31E+06	9.20E+06	1.16E+07	1.49E+07	1.03E+07	1.29E+07
Deoxyribose	2.04E+07	2.17E+07	8.69E+07	6.93E+07	1.44E+07	2.56E+07	3.56E+07	3.62E+07	3.53E+07	2.10E+07	4.76E+07	5.63E+07	1.88E+07	1.58E+07	3.62E+07	2.41E+07	2.47E+07	2.47E+07	4.09E+07	6.49E+07	1.59E+07	1.49E+07	3.36E+07	2.65E+07	1.84E+07	1.62E+07	6.53E+07	6.48E+07	1.12E+07	1.39E+07	1.55E+07	1.53E+07	3.64E+07
Deoxyuridine	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F
Deoxyuridine diphosphate	6.31E+04	6.10E+04	5.44E+04	8.33E+04	8.65E+04	4.72E+04	7.97E+04	7.92E+04	7.59E+04	2.80E+05	5.08E+05	3.34E+05	3.22E+05	4.21E+05	2.74E+05	3.48E+05	4.16E+05	3.45E+05	4.83E+05	3.96E+05	3.41E+05	2.65E+05	3.17E+05	4.71E+05	3.88E+05	6.04E+05	2.70E+05	3.11E+05	2.93E+05	1.98E+05	2.94E+05	5.43E+05	2.16E+05
Deoxyuridine monophosphate	1.02E+07	6.34E+06	1.07E+07	9.67E+06	6.61E+06	1.30E+07	1.23E+07	1.23E+07	1.48E+07	8.52E+06	8.65E+06	9.27E+06	8.38E+06	8.42E+06	1.35E+07	8.20E+06	8.60E+06	9.53E+06	8.30E+06	1.08E+07	7.40E+06	8.17E+06	1.03E+07	7.86E+06	1.01E+07	8.28E+06	1.45E+07	1.81E+07	9.89E+06	1.37E+07	6.40E+06	5.08E+06	1.05E+07
Deoxyuridine triphosphate	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F	N/F
Dihydroorotate	3.68E+06	2.41E+06	1.79E+09	1.56E+09	3.38E+06	3.59E+06	1.47E+09	1.56E+09	1.98E+06	1.47E+06	1.16E+09	1.30E+09	1.12E+06	1.00E+06	1.59E+09	1.10E+09	5.57E+05	1.36E+06	8.88E+08	1.28E+09	1.17E+06	1.46E+06	1.12E+09	9.40E+08	4.95E+06	3.05E+06	1.60E+09	1.56E+09	3.31E+06	6.73E+06	9.02E+08	8.07E+08	9.11E+08
Dihydroxyacetone phosphate	3.22E+07	5.28E+07	5.05E+07	3.71E+07	4.61E+07	1.33E+08	3.27E+07	4.10E+07	3.89E+07	1.70E+07	9.59E+06	1.35E+07	3.64E+07	2.75E+07	4.09E+07	1.56E+07	2.08E+07	2.11E+07	6.45E+06	1.41E+07	3.22E+07	4.05E+07	1.97E+07	9.70E+06	3.75E+07	1.95E+07	3.53E+07	2.60E+07	4.98E+07	1.19E+08	2.26E+07	1.56E+07	5.29E+07
dTDP-glucose	1.33E+06	1.85E+06	3.25E+06	2.80E+06	8.60E+05	9.20E+05	3.59E+06	3.78E+06	4.05E+06	1.32E+06	1.29E+06	1.55E+06	6.77E+05	4.91E+05	2.07E+06	1.54E+06	2.14E+06	2.14E+06	6.43E+05	1.74E+06	4.94E+05	N/F	2.09E+06	9.10E+05	2.36E+06	1.56E+06	2.13E+06	2.83E+06	4.32E+05	1.85E+05	1.48E+06	1.90E+06	2.09E+06
Erythritol	7.65E+06	8.44E+06	9.76E+06	8.57E+06	9.98E+06	1.40E+07	1.44E+07	1.34E+07	1.56E+07	9.08E+06	6.72E+06	8.87E+06	1.17E+07	9.06E+06	1.17E+07	8.76E+06	9.48E+06	1.01E+07	6.75E+06	8.60E+06	1.08E+07	1.14E+07	8.88E+06	7.64E+06	1.07E+07	9.06E+06	1.08E+07	8.20E+06	1.09E+07	1.33E+07	1.08E+07	8.16E+06	1.04E+07
Ethylmalonate	1.11E+07	1.17E+07	1.43E+07	1.26E+07	1.24E+07	1.78E+07	2.03E+07	1.91E+07	2.19E+07	1.44E+07	1.27E+07	1.37E+07	1.53E+07	1.44E+07	1.56E+07	1.29E+07	1.44E+07	1.29E+07	1.31E+07	1.34E+07	1.20E+07	1.29E+07	1.07E+07	9.15E+06	1.34E+07	1.21E+07	1.67E+07	1.16E+07	1.21E+07	1.30E+07	1.82E+07	1.43E+07	1.47E+07
FA (12:0)	2.03E+08	2.18E+08	3.15E+08	1.84E+08	2.50E+08	1.66E+08	1.95E+08	1.87E+08	1.95E+08	2.22E+08	2.32E+08	2.11E+08	1.76E+08	2.25E+08	2.53E+08	2.72E+08	2.19E+08	2.39E+08	2.12E+08	2.88E+08	2.04E+08	1.74E+08	1.97E+08	1.92E+08	2.55E+08	3.28E+08	2.42E+08	2.02E+08	3.12E+08	1.95E+08	2.40E+08	2.79E+08	2.09E+08
FA (14:0)	2.71E+08	3.04E+08	3.63E+08	2.89E+08	3.79E+08	2.33E+08	3.03E+08	2.92E+08	3.40E+08	3.03E+08	3.30E+08	3.22E+08	2.55E+08	3.21E+08	3.16E+08	2.47E+08	4.02E+08	3.73E+08	4.02E+08	4.48E+08	2.88E+08	3.16E+08	2.49E+08	3.44E+08	4.99E+08	5.85E+08	4.67E+08	3.30E+08	3.14E+08	2.79E+08	3.19E+08	4.32E+08	3.14E+08
FA (16:0)	6.94E+09	5.94E+09	5.71E+09	6.92E+09	9.13E+09	5.05E+09	6.57E+09	9.37E+09	7.26E+09	6.42E+09	8.20E+09	8.27E+09	5.57E+09	8.33E+09	7.83E+09	4.41E+09	1.02E+10	8.47E+09	6.43E+09	7.34E+09	7.49E+09	6.57E+09	7.27E+09	9.71E+09	8.35E+09	9.85E+09	8.76E+09	7.26E+09	6.68E+09	7.85E+09	7.05E+09	1.18E+10	6.24E+09
FA (16:1)	1.10E+08	1.02E+08	1.46E+08	1.34E+08	1.72E+08	1.09E+08	1.45E+08	9.96E+07	2.14E+08	1.24E+08	1.19E+08	1.49E+08	1.25E+08	1.65E+08	1.05E+08	9.24E+07	1.80E+08	2.24E+08	2.59E+08	2.70E+08	1.39E+08	2.04E+08	1.01E+08	1.37E+08	4.37E+08	4.45E+08	2.79E+08	1.36E+08	1.26E+08	1.21E+08	1.33E+08	1.58E+08	1.20E+08
FA (18:0)	5.16E+09	3.75E+09	3.51E+09	5.27E+09	6.41E+09	3.53E+09	4.59E+09	6.80E+09	5.22E+09	4.69E+09	6.33E+09	6.33E+09	3.89E+09	6.26E+09	5.81E+09	3.06E+09	7.71E+09	6.38E+09	4.40E+09	4.83E+09	5.68E+09	4.77E+09	5.18E+09	7.24E+09	5.46E+09	6.72E+09	5.59E+09	5.00E+09	4.78E+09	5.68E+09	4.95E+09	8.60E+09	4.21E+09
FA (18:1)	7.04E+08	5.15E+08	7.04E+08	9.54E+08	1.06E+09	8.43E+08	8.53E+08	1.03E+09	8.31E+08	7.17E+08	8.03E+08	8.98E+08	7.86E+08	9.37E+08	9.69E+08	7.30E+08	9.92E+08	9.34E+08	9.36E+08	1.07E+09	9.43E+08	9.84E+08	1.05E+09	1.30E+09	1.35E+09	1.44E+09	1.16E+09	1.06E+09	9.84E+08	1.08E+09	1.26E+09	1.77E+09	8.21E+08
FA (20:0)	5.98E+07	2.37E+07	4.38E+07	5.78E+07	6.37E+07	4.76E+07	5.23E+07	6.02E+07	5.59E+07	5.75E+07	6.58E+07	6.16E+07	5.36E+07	7.40E+07	7.02E+07	5.24E+07	7.51E+07	6.79E+07	5.99E+07	6.60E+07	6.63E+07	6.23E+07	5.91E+07	7.92E+07	7.55E+07	9.58E+07	6.15E+07	6.11E+07	7.12E+07	6.52E+07	6.19E+07	8.87E+07	5.27E+07
FA (20:2)	1.34E+07	1.65E+06	4.80E+06	1.75E+07	2.26E+07	1.87E+07	1.47E+07	2.03E+07	1.51E+07	1.01E+07	1.46E+07	1.75E+07	1.53E+07	1.87E+07	1.73E+07	1.89E+07	1.62E+07	1.90E+07	2.63E+07	2.63E+07	2.23E+07	2.75E+07	2.35E+07	3.23E+07	4.00E+07	4.51E+07	2.94E+07	2.66E+07	2.33E+07	2.51E+07	2.91E+07	4.00E+07	1.41E+07
FA (8:0)	2.85E+08	3.29E+08	3.84E+08	4.21E+08	3.00E+08	2.62E+08	3.89E+08	3.77E+08	3.64E+08	2.13E+08	2.36E+08	3.19E+08	3.25E+08	3.09E+08	3.85E+08	2.59E+08	2.40E+08	2.60E+08	2.27E+08	2.69E+08	2.46E+08	2.07E+08	2.29E+08	2.59E+08	2.79E+08	2.63E+08	2.52E+08	2.31E+08	2.24E+08	2.18E+08	2.98E+08	3.64E+08	3.13E+08
Fructose 1,6-bisphosphate	5.05E+08	6.15E+08	5.18E+08	3.36E+08	4.83E+08	1.51E+09	5.22E+08	8.64E+08	2.60E+09	6.48E+08	2.05E+08	3.43E+08	1.00E+09	8.53E+08	8.83E+08	3.53E+08	1.20E+09	1.13E+09	2.12E+08	4.02E+08	6.69E+08	9.16E+08	4.11E+08	2.16E+08	1.78E+09	1.13E+09	7.17E+08	6.18E+08	1.26E+09	2.11E+09	2.53E+08	1.42E+08	8.73E+08
Fructose 6-phosphate	1.54E+08	2.00E+08	2.04E+08	1.49E+08	1.75E+08	4.45E+08	1.80E+08	2.53E+08	5.18E+08	1.60E+08	6.29E+07	9.85E+07	2.40E+08	2.10E+08	2.66E+08	1.20E+08	2.51E+08	2.49E+08	5.69E+07	1.19E+08	2.08E+08	2.63E+08	1.47E+08	8.51E+07	3.66E+08	2.52E+08	2.29E+08	2.47E+08	3.42E+08	5.64E+08	1.33E+08	8.62E+07	2.79E+08
Fumarate	4.32E+08	4.51E+08	9.34E+08	7.46E+08	3.63E+08	6.41E+08	7.82E+08	8.90E+08	7.53E+08	4.04E+08	5.62E+08	6.64E+08	4.67E+08	4.45E+08	9.10E+08	5.89E+08	5.12E+08	4.68E+08	4.62E+08	7.51E+08	3.83E+08	4.36E+08	6.66E+08	4.62E+08	4.73E+08	4.25E+08	8.19E+08	8.03E+08	4.36E+08	5.48E+08	4.68E+08	3.61E+08	6.63E+08
Galactarate	1.68E+05	4.84E+05	2.35E+05	N/F	2.31E+05	2.38E+06	2.13E+05	4.39E+05	2.77E+06	2.91E+05	N/F	2.98E+04	6.12E+05	1.94E+05	7.01E+04	N/F	4.31E+05	6.37E+05	N/F	N/F	4.22E+05	7.38E+05	5.26E+04	N/F	1.11E+06	3.24E+05	2.28E+05	N/F	1.13E+06	2.62E+06	1.29E+05	N/F	3.73E+05
Glu-Asp	9.18E+07	1.03E+08	1.35E+08	9.36E+07	9.77E+07	2.40E+08	1.49E+08	1.65E+08	1.99E+08	8.28E+07	3.36E+07	6.34E+07	1.25E+08	9.36E+07	1.43E+08	6.27E+07	9.22E+07	9.15E+07	3.45E+07	7.63E+07	9.81E+07	1.15E+08	9.21E+07	4.32E+07	1.22E+08	6.79E+07	1.04E+08	9.04E+07	1.13E+08	1.78E+08	6.30E+07	2.48E+07	1.41E+08
Gluconate	4.33E+08	6.00E+08	9.70E+08	6.11E+08	5.12E+08	1.63E+09	8.03E+08	1.09E+09	2.22E+09	5.32E+08	2.68E+08	5.48E+08	9.14E+08	7.02E+08	1.03E+09	4.44E+08	8.34E+08	8.39E+08	2.70E+08	5.96E+08	7.00E+08	9.38E+08	5.81E+08	2.82E+08	8.12E+08	5.05E+08	1.05E+09	8.70E+08	1.05E+09	1.74E+09	4.32E+08	1.97E+08	1.14E+09
Gluconolactone	7.56E+06	5.90E+06	6.99E+06	6.60E+06	7.92E+06	8.31E+06	1.21E+07	1.15E+07	1.19E+07	8.34E+06	7.02E+06	8.52E+06	7.51E+06	6.95E+06	9.26E+06	6.69E+06	6.76E+06	6.49E+06	5.92E+06	6.89E+06	5.44E+06	5.96E+06	5.45E+06	5.08E+06	6.19E+06	5.25E+06	7.79E+06	5.45E+06	5.95E+06	6.85E+06	8.67E+06	7.44E+06	6.35E+06
Glucosamine 6-phosphate	6.96E+06	9.28E+06	2.87E+07	1.86E+07	9.97E+06	2.27E+07	3.37E+07	4.01E+07	2.07E+07	6.97E+06	9.08E+06	1.28E+07	1.34E+07	1.19E+07	3.70E+07	1.60E+07	9.58E+06	8.41E+06	9.94E+06	2.03E+07	1.17E+07	1.41E+07	2.92E+07	1.49E+07	9.35E+06	7.00E+06	2.33E+07	1.98E+07	1.44E+07	2.22E+07	1.28E+07	6.64E+06	1.72E+07
Glucose	4.66E+07	3.86E+07	3.36E+07	3.10E+07	3.71E+07	4.44E+07	3.83E+07	3.49E+07	4.41E+07	3.73E+07	2.42E+07	2.68E+07	3.74E+07	3.71E+07	3.36E+07	2.84E+07	3.54E+07	3.19E+07	2.24E+07	2.13E+07	3.39E+07	3.28E+07	2.27E+07	2.30E+07	3.24E+07	3.18E+07	2.56E+07	2.32E+07	3.65E+07	3.58E+07	3.04E+07	3.06E+07	3.37E+07
Glucose 6-phosphate	9.95E+07	1.14E+08	1.80E+08	1.39E+08	1.18E+08	2.32E+08	7.66E+07	8.32E+07	1.02E+08	4.42E+07	3.06E+07	4.05E+07	6.45E+07	5.53E+07	8.85E+07	4.84E+07	5.80E+07	5.17E+07	2.65E+07	4.69E+07	5.39E+07	6.67E+07	6.06E+07	3.31E+07	1.28E+08	7.41E+07	1.84E+08	1.47E+08	1.21E+08	2.52E+08	1.27E+08	1.00E+08	1.38E+08
Glucuronolactone	1.43E+06	1.36E+06	6.75E+05	4.30E+05	1.71E+06	1.87E+06	6.52E+05	4.73E+05	1.28E+06	7.90E+05	5.48E+04	3.74E+05	8.48E+05	7.97E+05	6.01E+05	3.73E+05	9.96E+05	8.82E+05	2.24E+05	2.68E+05	7.94E+05	8.50E+05	2.13E+05	3.15E+05	1.25E+06	8.87E+05	5.23E+05	3.88E+05	1.32E+06	1.89E+06	6.22E+05	5.49E+05	7.74E+05
Glu-Glu	1.25E+07	1.10E+07	9.00E+06	6.33E+06	7.89E+06	1.83E+07	8.29E+06	9.00E+06	2.68E+07	1.13E+07	3.71E+06	5.52E+06	1.23E+07	1.03E+07	9.20E+06	5.62E+06	1.46E+07	1.38E+07	4.21E+06	7.09E+06	1.05E+07	1.23E+07	6.84E+06	4.53E+06	2.00E+07	1.38E+07	9.80E+06	1.14E+07	1.83E+07	2.71E+07	7.60E+06	4.83E+06	1.75E+07
Glutarate	1.71E+07	1.93E+07	1.59E+07	1.22E+07	1.39E+07	2.74E+07	1.11E+07	1.42E+07	3.59E+07	1.75E+07	8.77E+06	9.76E+06	1.88E+07	1.75E+07	1.39E+07	7.97E+06	2.31E+07	2.06E+07	7.76E+06	1.11E+07	1.58E+07	1.91E+07	9.34E+06	6.45E+06	2.24E+07	2.22E+07	1.51E+07	1.52E+07	1.89E+07	2.51E+07	7.97E+06	7.09E+06	1.97E+07
Glyceraldehyde 3-phosphate	6.27E+07	9.03E+07	1.04E+08	6.61E+07	7.46E+07	1.85E+08	1.60E+08	2.26E+08	1.75E+08	3.82E+07	3.76E+07	6.39E+07	8.11E+07	5.94E+07	1.83E+08	8.32E+07	5.39E+07	5.62E+07	3.23E+07	6.85E+07	6.27E+07	8.57E+07	1.17E+08	6.08E+07	5.90E+07	3.74E+07	8.42E+07	7.76E+07	7.74E+07	1.35E+08	7.19E+07	4.24E+07	1.84E+08
Glycerol 3-phosphate	5.00E+07	4.88E+07	8.11E+07	7.03E+07	8.22E+07	1.90E+08	9.07E+07	1.16E+08	1.06E+08	3.89E+07	3.22E+07	5.28E+07	9.95E+07	8.80E+07	9.89E+07	4.99E+07	5.63E+07	5.60E+07	3.05E+07	5.46E+07	1.24E+08	1.62E+08	7.60E+07	4.23E+07	1.86E+07	1.53E+07	2.66E+07	2.35E+07	7.44E+07	9.37E+07	5.22E+07	2.90E+07	9.92E+07
Glycerophosphoethanolamine	9.36E+07	1.11E+08	3.40E+08	2.28E+08	1.34E+08	3.22E+08	3.87E+08	4.49E+08	2.49E+08	9.97E+07	1.41E+08	2.08E+08	2.08E+08	1.76E+08	4.71E+08	2.56E+08	1.28E+08	1.26E+08	1.39E+08	2.47E+08	1.78E+08	2.05E+08	3.19E+08	2.12E+08	1.33E+08	9.63E+07	3.46E+08	3.12E+08	2.15E+08	3.05E+08	2.53E+08	1.63E+08	2.72E+08
Glycerophosphoinositol	2.07E+08	2.29E+08	4.21E+08	3.17E+08	2.50E+08	4.59E+08	3.75E+08	4.26E+08	3.76E+08	1.93E+08	2.18E+08	2.65E+08	3.32E+08	3.03E+08	4.26E+08	2.81E+08	2.54E+08	2.37E+08	2.44E+08	3.89E+08	3.15E+08	3.56E+08	4.19E+08	3.01E+08	2.80E+08	2.51E+08	4.22E+08	4.00E+08	3.98E+08	5.11E+08	2.74E+08	2.04E+08	3.47E+08
Glycochenodeoxycholate	3.65E+07	3.09E+07	3.92E+07	3.93E+07	4.43E+07	3.72E+07	4.32E+07	4.43E+07	3.53E+07	3.15E+07	3.37E+07	3.72E+07	2.69E+07	2.69E+07	3.09E+07	2.91E+07	2.08E+07	2.05E+07	4.26E+07	3.46E+07	2.50E+07	2.64E+07	2.65E+07	2.68E+07	3.41E+07	2.79E+07	3.82E+07	2.23E+07	1.85E+07	1.79E+07	7.31E+07	6.94E+07	3.06E+07
Glycocholate	7.06E+05	1.25E+06	1.61E+06	1.57E+06	1.77E+06	1.75E+06	3.14E+06	2.55E+06	2.30E+06	1.41E+06	1.03E+06	1.84E+06	1.40E+06	9.61E+05	1.75E+06	1.39E+06	8.06E+05	1.13E+06	1.70E+06	1.48E+06	9.80E+05	1.14E+06	8.63E+05	1.02E+06	1.58E+06	8.24E+05	2.22E+06	9.43E+05	1.06E+06	1.00E+06	3.62E+06	2.87E+06	1.71E+06
Gly-Leu	1.92E+06	2.31E+06	2.84E+06	3.45E+06	1.94E+06	7.48E+06	5.95E+06	4.91E+06	5.00E+06	1.66E+06	9.37E+05	1.87E+06	1.98E+06	1.28E+06	3.38E+06	1.45E+06	2.06E+06	1.36E+06	5.33E+05	1.34E+06	2.00E+06	2.55E+06	1.26E+06	9.79E+05	3.43E+06	1.56E+06	3.33E+06	2.79E+06	3.68E+06	6.13E+06	3.04E+06	1.97E+06	3.46E+06
Guanosine diphosphate	9.11E+06	1.17E+07	1.88E+07	1.39E+07	1.18E+07	3.31E+07	1.92E+07	3.10E+07	3.45E+07	8.20E+06	6.44E+06	1.11E+07	1.84E+07	1.65E+07	2.51E+07	1.13E+07	1.20E+07	1.35E+07	7.48E+06	1.28E+07	1.25E+07	1.60E+07	1.38E+07	8.34E+06	2.65E+07	1.52E+07	2.22E+07	2.19E+07	1.99E+07	3.51E+07	1.39E+07	8.13E+06	1.60E+07
Guanosine diphosphate mannose	9.41E+06	1.13E+07	3.30E+07	2.46E+07	1.21E+07	2.89E+07	2.36E+07	3.30E+07	2.69E+07	8.53E+06	1.06E+07	1.61E+07	1.69E+07	1.37E+07	3.23E+07	1.50E+07	1.27E+07	1.27E+07	1.10E+07	2.12E+07	1.33E+07	1.61E+07	1.89E+07	1.14E+07	1.77E+07	1.25E+07	3.09E+07	2.71E+07	1.80E+07	2.87E+07	1.61E+07	1.03E+07	2.02E+07
Guanosine monophosphate	2.39E+06	3.19E+06	4.12E+06	3.66E+06	2.62E+06	6.33E+06	3.85E+06	8.19E+06	9.53E+06	3.07E+06	2.69E+06	3.81E+06	4.24E+06	4.49E+06	7.65E+06	4.26E+06	4.97E+06	4.90E+06	2.48E+06	3.23E+06	3.19E+06	3.69E+06	3.62E+06	2.43E+06	4.25E+06	3.37E+06	4.15E+06	4.87E+06	3.91E+06	4.85E+06	5.19E+06	3.18E+06	4.87E+06
Guanosine triphosphate	1.46E+07	1.77E+07	2.87E+07	2.17E+07	2.01E+07	5.74E+07	2.15E+07	3.63E+07	4.35E+07	8.10E+06	4.08E+06	9.72E+06	1.74E+07	1.47E+07	2.47E+07	9.68E+06	1.24E+07	1.44E+07	6.60E+06	1.07E+07	1.18E+07	1.76E+07	1.18E+07	7.29E+06	3.36E+07	1.76E+07	2.85E+07	2.13E+07	2.17E+07	4.76E+07	2.35E+07	1.22E+07	1.74E+07
Hexitols	2.80E+08	3.20E+08	1.76E+08	1.40E+08	3.25E+08	5.06E+08	2.56E+08	2.50E+08	5.36E+08	3.08E+08	1.14E+08	1.50E+08	3.86E+08	3.49E+08	2.18E+08	1.60E+08	3.25E+08	3.30E+08	1.19E+08	1.42E+08	3.88E+08	4.25E+08	1.52E+08	1.28E+08	3.47E+08	2.89E+08	1.99E+08	1.49E+08	4.50E+08	5.30E+08	2.05E+08	1.59E+08	3.17E+08
Hippurate	1.03E+08	8.67E+07	9.39E+07	1.01E+08	1.11E+08	1.09E+08	1.74E+08	1.45E+08	1.40E+08	1.07E+08	1.02E+08	1.24E+08	9.88E+07	9.07E+07	1.15E+08	9.24E+07	8.15E+07	7.78E+07	1.03E+08	9.84E+07	7.99E+07	8.51E+07	8.06E+07	8.09E+07	9.38E+07	8.48E+07	1.28E+08	8.10E+07	8.73E+07	8.56E+07	1.57E+08	1.41E+08	9.82E+07
Hydroxy-FA (10:0)	1.66E+07	2.02E+07	3.53E+07	2.10E+07	2.60E+07	2.06E+07	1.80E+07	1.73E+07	2.04E+07	2.45E+07	1.65E+07	2.17E+07	1.83E+07	2.18E+07	2.65E+07	2.82E+07	1.73E+07	1.98E+07	1.89E+07	2.44E+07	2.42E+07	1.68E+07	1.70E+07	2.14E+07	2.24E+07	2.32E+07	1.78E+07	2.18E+07	2.44E+07	1.75E+07	2.34E+07	2.92E+07	2.23E+07
Hydroxy-FA (18:1)	1.28E+08	8.22E+07	1.25E+08	1.21E+08	1.46E+08	2.09E+08	1.26E+08	1.22E+08	1.17E+08	1.18E+08	1.28E+08	1.37E+08	1.27E+08	1.51E+08	1.53E+08	1.28E+08	1.58E+08	1.64E+08	1.38E+08	1.63E+08	1.43E+08	1.24E+08	1.28E+08	1.60E+08	1.83E+08	1.68E+08	1.37E+08	1.37E+08	1.21E+08	1.20E+08	1.55E+08	1.84E+08	1.31E+08
Hydroxy-FA (6:0)	1.05E+08	1.18E+08	7.03E+07	5.07E+07	1.48E+08	1.59E+08	8.84E+07	7.16E+07	1.44E+08	1.14E+08	4.71E+07	5.78E+07	1.21E+08	1.22E+08	8.16E+07	6.57E+07	1.03E+08	1.09E+08	4.24E+07	5.66E+07	1.32E+08	1.43E+08	6.26E+07	5.72E+07	1.16E+08	1.28E+08	5.70E+07	5.17E+07	1.93E+08	1.78E+08	8.08E+07	7.75E+07	8.77E+07
Hydroxy-FA (7:0)	5.61E+06	8.46E+06	1.55E+07	1.01E+07	9.53E+06	5.70E+06	8.05E+06	5.10E+06	6.87E+06	1.57E+07	6.46E+06	7.74E+06	5.85E+06	6.18E+06	2.00E+07	1.36E+07	5.20E+06	5.86E+06	7.25E+06	1.10E+07	7.23E+06	3.11E+06	4.96E+06	4.82E+06	6.76E+06	9.17E+06	5.37E+06	1.28E+07	1.08E+07	4.67E+06	4.93E+06	7.18E+06	5.74E+06
Hydroxy-FA (8:0)	8.44E+06	7.38E+06	1.78E+07	1.30E+07	1.22E+07	1.00E+07	1.04E+07	8.84E+06	1.09E+07	1.57E+07	9.87E+06	1.18E+07	9.15E+06	1.11E+07	1.54E+07	1.32E+07	1.00E+07	1.03E+07	1.05E+07	1.19E+07	1.34E+07	8.26E+06	9.74E+06	1.01E+07	1.10E+07	1.13E+07	1.07E+07	1.15E+07	1.00E+07	9.43E+06	1.08E+07	1.26E+07	1.03E+07
Hydroxyphenyllactate	1.60E+08	1.40E+08	4.48E+07	4.08E+07	1.77E+08	1.98E+08	8.90E+07	7.91E+07	1.97E+08	1.48E+08	3.50E+07	4.03E+07	1.60E+08	1.47E+08	6.75E+07	4.96E+07	1.34E+08	1.46E+08	2.63E+07	3.37E+07	1.23E+08	1.39E+08	4.97E+07	5.77E+07	1.47E+08	1.40E+08	3.98E+07	2.77E+07	1.29E+08	1.80E+08	4.91E+07	4.61E+07	8.68E+07
Indole-3-acetate	N/F	1.86E+06	1.75E+06	3.18E+06	4.29E+06	3.74E+06	1.37E+06	2.23E+06	2.32E+06	1.39E+06	6.74E+05	1.98E+06	1.03E+06	4.36E+05	2.17E+06	1.99E+06	1.29E+06	1.69E+06	5.79E+05	4.83E+05	4.69E+05	1.08E+06	1.43E+06	7.80E+05	6.11E+05	1.22E+05	6.08E+05	1.17E+06	1.45E+06	8.60E+05	4.41E+05	1.61E+06	8.66E+05
Indoleacetaldehyde	6.81E+06	1.90E+06	9.86E+06	1.14E+07	9.97E+06	7.91E+06	1.67E+07	1.45E+07	9.74E+06	8.72E+06	1.06E+07	1.30E+07	8.84E+06	8.22E+06	1.16E+07	1.02E+07	6.03E+06	6.08E+06	1.49E+07	1.22E+07	7.19E+06	7.72E+06	8.83E+06	1.17E+07	1.07E+07	8.49E+06	1.74E+07	9.34E+06	6.49E+06	8.19E+06	2.72E+07	2.65E+07	1.05E+07
Indoxyl sulfate	2.48E+06	2.14E+06	2.12E+06	1.78E+06	3.39E+06	2.01E+06	3.44E+06	2.68E+06	2.47E+06	2.37E+06	1.98E+06	2.44E+06	2.28E+06	1.72E+06	2.15E+06	1.97E+06	1.60E+06	1.76E+06	3.09E+06	2.37E+06	2.03E+06	2.08E+06	1.58E+06	2.09E+06	2.85E+06	2.66E+06	2.81E+06	1.54E+06	1.53E+06	1.71E+06	6.33E+06	6.30E+06	2.15E+06
Inosine monophosphate	5.35E+06	6.74E+06	1.56E+06	7.91E+05	2.75E+06	6.92E+06	2.34E+06	3.06E+06	1.56E+07	4.80E+06	9.49E+05	1.28E+06	5.33E+06	4.85E+06	1.69E+06	5.71E+05	8.55E+06	7.54E+06	6.79E+05	1.80E+06	4.86E+06	5.32E+06	8.92E+05	1.22E+05	1.00E+07	7.87E+06	2.21E+06	1.92E+06	7.05E+06	8.67E+06	9.01E+05	1.42E+05	4.76E+06
Itaconate	1.25E+09	7.40E+08	6.16E+08	4.65E+08	3.91E+09	6.70E+09	4.38E+09	4.79E+09	5.91E+08	4.17E+08	3.48E+08	2.75E+08	4.79E+09	4.66E+09	4.75E+09	3.07E+09	4.23E+08	3.18E+08	2.47E+08	2.52E+08	4.05E+09	4.66E+09	3.38E+09	2.55E+09	3.71E+08	3.35E+08	2.29E+08	2.20E+08	4.66E+09	6.06E+09	2.45E+09	1.99E+09	3.04E+09
Lactate	3.68E+10	4.09E+10	3.90E+10	3.10E+10	3.78E+10	5.68E+10	4.78E+10	4.81E+10	6.41E+10	3.79E+10	2.38E+10	2.90E+10	4.36E+10	4.03E+10	4.21E+10	2.81E+10	3.97E+10	3.78E+10	2.04E+10	2.75E+10	3.92E+10	4.29E+10	3.06E+10	2.40E+10	4.01E+10	3.65E+10	3.85E+10	3.08E+10	4.92E+10	5.65E+10	3.78E+10	2.81E+10	4.22E+10
Leu-Val	6.85E+06	4.91E+06	9.59E+06	1.03E+07	1.02E+07	1.58E+07	9.86E+06	1.40E+07	1.02E+07	6.80E+06	7.59E+06	9.35E+06	1.03E+07	1.04E+07	1.48E+07	1.58E+07	7.91E+06	6.86E+06	7.30E+06	8.67E+06	1.13E+07	1.18E+07	1.10E+07	1.14E+07	2.16E+07	1.91E+07	1.80E+07	2.13E+07	2.93E+07	3.45E+07	2.12E+07	2.44E+07	1.13E+07
Lithocholyltaurine	3.64E+07	3.24E+07	3.70E+07	3.37E+07	5.05E+07	3.59E+07	4.86E+07	3.86E+07	3.42E+07	3.36E+07	2.78E+07	4.29E+07	3.58E+07	3.08E+07	3.31E+07	3.03E+07	2.30E+07	2.67E+07	4.57E+07	3.69E+07	3.13E+07	3.01E+07	2.59E+07	3.46E+07	4.26E+07	3.49E+07	3.63E+07	2.21E+07	2.55E+07	2.37E+07	7.19E+07	7.70E+07	3.45E+07
Lumichrome	4.27E+07	1.41E+08	5.91E+07	6.01E+07	4.85E+07	5.43E+07	1.05E+08	4.64E+07	6.39E+07	7.79E+07	4.52E+07	1.11E+08	9.89E+07	7.83E+07	9.10E+07	1.97E+08	1.07E+08	8.16E+07	7.33E+07	7.35E+07	1.00E+08	5.65E+07	4.85E+07	7.29E+07	1.25E+08	9.10E+07	5.38E+07	1.14E+08	7.32E+07	5.39E+07	4.50E+07	7.81E+07	7.40E+07
Malate	4.83E+09	5.11E+09	7.01E+09	5.74E+09	4.15E+09	7.14E+09	6.46E+09	7.38E+09	8.44E+09	4.65E+09	4.45E+09	5.18E+09	5.44E+09	5.16E+09	7.30E+09	5.04E+09	6.06E+09	5.50E+09	3.82E+09	6.07E+09	4.62E+09	5.16E+09	5.61E+09	3.97E+09	5.94E+09	5.21E+09	6.47E+09	6.50E+09	5.40E+09	6.67E+09	3.96E+09	2.95E+09	6.01E+09
Malonate	1.82E+07	2.23E+07	3.35E+07	2.92E+07	1.68E+07	2.34E+07	1.62E+07	1.73E+07	2.58E+07	1.91E+07	1.52E+07	1.64E+07	1.74E+07	1.89E+07	1.94E+07	1.84E+07	2.19E+07	1.77E+07	1.51E+07	2.12E+07	1.46E+07	1.63E+07	1.35E+07	1.04E+07	2.14E+07	1.75E+07	1.50E+07	2.41E+07	2.24E+07	1.83E+07	1.19E+07	1.09E+07	2.26E+07
Methyglutarate	5.40E+06	4.92E+06	5.96E+06	4.90E+06	5.04E+06	6.07E+06	6.29E+06	8.22E+06	7.46E+06	5.44E+06	5.44E+06	6.01E+06	4.96E+06	7.69E+06	1.08E+07	6.64E+06	6.38E+06	8.71E+06	4.49E+06	6.90E+06	4.75E+06	8.91E+06	4.70E+06	6.05E+06	8.81E+06	4.26E+06	7.66E+06	6.92E+06	6.04E+06	7.37E+06	4.90E+06	6.25E+06	7.72E+06
Mevalonate	4.80E+06	6.01E+06	9.22E+06	5.68E+06	7.23E+06	8.97E+06	1.18E+07	1.06E+07	1.33E+07	7.84E+06	5.53E+06	7.87E+06	7.37E+06	7.02E+06	9.49E+06	6.25E+06	7.26E+06	6.87E+06	5.83E+06	7.40E+06	6.61E+06	6.70E+06	5.67E+06	4.68E+06	7.20E+06	7.08E+06	9.66E+06	6.29E+06	7.97E+06	8.36E+06	9.71E+06	7.48E+06	8.85E+06
Myoinositol	2.59E+08	2.67E+08	1.41E+09	9.48E+08	2.98E+08	6.90E+08	1.42E+09	1.27E+09	5.65E+08	3.14E+08	5.95E+08	9.24E+08	4.86E+08	4.20E+08	1.69E+09	1.06E+09	3.71E+08	3.74E+08	6.91E+08	9.70E+08	3.93E+08	4.26E+08	9.84E+08	8.26E+08	4.12E+08	2.78E+08	1.48E+09	1.36E+09	3.82E+08	5.48E+08	9.04E+08	6.87E+08	7.92E+08
N-Acetylalanine	2.68E+08	2.47E+08	2.03E+08	1.76E+08	2.19E+08	4.00E+08	1.99E+08	2.22E+08	4.62E+08	2.45E+08	1.35E+08	1.51E+08	2.94E+08	2.66E+08	2.14E+08	1.31E+08	3.00E+08	3.09E+08	9.98E+07	1.73E+08	2.38E+08	2.91E+08	1.61E+08	1.28E+08	3.08E+08	2.76E+08	1.98E+08	1.69E+08	2.39E+08	3.71E+08	1.07E+08	8.55E+07	2.57E+08
N-Acetylasparagine	1.75E+07	1.65E+07	6.38E+06	5.29E+06	1.35E+07	2.62E+07	4.98E+06	4.57E+06	1.87E+07	1.10E+07	3.38E+06	2.89E+06	1.32E+07	1.14E+07	3.70E+06	3.89E+06	1.04E+07	1.02E+07	2.48E+06	3.11E+06	1.07E+07	1.13E+07	3.06E+06	3.13E+06	9.99E+06	8.38E+06	2.34E+06	2.11E+06	1.33E+07	1.53E+07	2.39E+06	1.98E+06	5.35E+06
N-Acetylaspartate	9.04E+09	9.05E+09	1.30E+10	1.08E+10	7.47E+09	1.24E+10	9.58E+09	1.05E+10	1.46E+10	8.80E+09	8.22E+09	9.27E+09	9.38E+09	9.06E+09	1.12E+10	7.62E+09	1.08E+10	1.03E+10	7.22E+09	1.09E+10	7.92E+09	8.62E+09	8.24E+09	6.35E+09	1.16E+10	1.04E+10	1.24E+10	1.22E+10	9.13E+09	1.08E+10	6.70E+09	5.47E+09	1.04E+10
N-Acetylcysteine	4.87E+07	4.49E+07	2.02E+07	1.99E+07	6.07E+07	9.28E+07	2.68E+07	3.23E+07	1.30E+08	6.79E+07	1.44E+07	2.13E+07	7.09E+07	6.37E+07	2.68E+07	1.80E+07	7.16E+07	8.40E+07	9.85E+06	1.87E+07	5.30E+07	6.26E+07	1.08E+07	1.25E+07	8.28E+07	6.44E+07	2.27E+07	1.49E+07	6.60E+07	9.36E+07	1.41E+07	1.20E+07	3.80E+07
N-Acetylglycine	4.61E+06	5.48E+06	3.54E+06	5.51E+06	4.01E+06	4.84E+06	4.06E+06	3.16E+06	5.07E+06	4.47E+06	3.42E+06	2.98E+06	2.24E+06	4.93E+06	4.43E+06	4.86E+06	2.83E+06	4.16E+06	3.36E+06	2.66E+06	2.53E+06	2.77E+06	1.86E+06	3.01E+06	3.43E+06	2.38E+06	2.23E+06	3.40E+06	3.08E+06	1.57E+06	1.85E+06	1.46E+06	2.20E+06
N-Acetylhexosamine phosphate	6.15E+06	8.65E+06	4.66E+07	2.94E+07	5.52E+06	1.84E+07	4.81E+07	6.10E+07	2.71E+07	6.69E+06	1.31E+07	2.16E+07	9.22E+06	7.17E+06	5.64E+07	2.69E+07	9.92E+06	8.89E+06	1.34E+07	2.54E+07	6.19E+06	8.99E+06	3.82E+07	2.04E+07	1.34E+07	7.32E+06	4.00E+07	3.86E+07	1.23E+07	2.29E+07	3.04E+07	1.77E+07	2.48E+07
N-Acetylhexosamine sulfate	1.67E+06	1.65E+06	9.05E+05	4.94E+05	1.26E+06	1.17E+06	1.14E+06	1.40E+06	1.95E+06	1.90E+06	1.71E+06	1.67E+06	1.38E+06	1.86E+06	2.11E+06	2.17E+06	2.01E+06	1.81E+06	2.45E+06	2.03E+06	9.61E+05	1.26E+06	1.46E+06	1.59E+06	2.04E+06	1.85E+06	2.90E+06	2.03E+06	1.55E+06	1.04E+06	2.70E+06	2.17E+06	1.51E+06
N-Acetylleucine	1.60E+07	2.25E+07	1.58E+07	1.38E+07	1.62E+07	1.88E+07	1.85E+07	1.74E+07	2.43E+07	1.63E+07	1.21E+07	1.54E+07	2.01E+07	1.71E+07	2.00E+07	1.54E+07	1.78E+07	1.96E+07	1.17E+07	1.51E+07	1.55E+07	1.54E+07	1.40E+07	1.28E+07	1.71E+07	1.44E+07	1.60E+07	1.55E+07	1.83E+07	2.00E+07	9.89E+06	1.06E+07	1.82E+07
N-Acetylmethionine	8.16E+08	6.39E+08	3.50E+08	3.57E+08	5.85E+08	7.89E+08	3.83E+08	3.64E+08	1.04E+09	7.07E+08	2.75E+08	3.62E+08	7.04E+08	6.48E+08	4.04E+08	2.90E+08	7.77E+08	8.14E+08	2.19E+08	3.21E+08	5.89E+08	5.93E+08	2.92E+08	2.70E+08	6.79E+08	6.38E+08	3.35E+08	3.46E+08	5.87E+08	7.00E+08	1.92E+08	2.00E+08	5.46E+08
N-Acetylornithine	5.24E+06	5.77E+06	8.70E+06	5.89E+06	5.40E+06	1.14E+07	8.58E+06	8.51E+06	1.09E+07	5.40E+06	3.71E+06	5.51E+06	6.27E+06	5.48E+06	8.13E+06	4.87E+06	5.08E+06	4.72E+06	3.81E+06	4.77E+06	4.88E+06	5.68E+06	5.39E+06	3.72E+06	4.83E+06	3.61E+06	7.38E+06	5.81E+06	6.03E+06	7.78E+06	5.64E+06	3.61E+06	6.54E+06
N-Acetylphenylalanine	1.68E+07	1.94E+07	1.78E+07	1.55E+07	1.82E+07	1.73E+07	2.09E+07	1.89E+07	1.73E+07	1.53E+07	1.50E+07	1.68E+07	2.08E+07	1.77E+07	2.21E+07	1.90E+07	1.68E+07	1.80E+07	1.30E+07	1.66E+07	1.61E+07	1.42E+07	1.53E+07	1.64E+07	1.40E+07	1.22E+07	1.41E+07	1.65E+07	1.81E+07	1.79E+07	9.21E+06	1.36E+07	2.02E+07
N-Acetylserine	1.18E+09	1.27E+09	9.30E+08	7.65E+08	1.07E+09	1.90E+09	8.67E+08	8.93E+08	2.13E+09	1.18E+09	4.85E+08	6.72E+08	1.34E+09	1.17E+09	8.85E+08	5.84E+08	1.38E+09	1.36E+09	4.13E+08	6.61E+08	1.11E+09	1.24E+09	6.08E+08	4.60E+08	1.31E+09	1.07E+09	7.73E+08	7.61E+08	1.19E+09	1.51E+09	3.99E+08	3.35E+08	1.15E+09
N-Acetyltryptophan	2.56E+05	4.54E+05	5.26E+05	5.02E+05	7.45E+05	7.07E+05	1.10E+06	1.13E+06	9.70E+05	5.84E+05	6.68E+05	7.17E+05	7.24E+05	6.04E+05	6.99E+05	3.66E+05	2.09E+05	5.10E+05	5.59E+05	4.17E+05	4.73E+05	6.39E+05	5.29E+05	4.02E+05	5.40E+05	3.46E+05	5.66E+05	3.02E+05	3.67E+05	5.41E+05	1.20E+06	1.16E+06	5.91E+05
NADH	5.99E+05	9.13E+05	1.58E+06	1.09E+06	1.02E+06	1.95E+06	1.36E+07	1.70E+07	2.57E+07	9.35E+06	4.85E+06	5.62E+06	1.52E+07	9.92E+06	8.77E+06	3.92E+06	8.59E+06	9.17E+06	1.86E+06	3.94E+06	5.03E+06	6.99E+06	1.27E+06	7.04E+05	8.67E+05	1.55E+06	9.63E+05	1.16E+06	3.49E+06	1.50E+06	3.62E+05	3.33E+05	4.72E+06
N-Formylmethionine	1.87E+08	1.44E+08	1.69E+08	1.73E+08	2.01E+08	2.24E+08	3.43E+08	3.02E+08	3.29E+08	2.18E+08	1.76E+08	2.25E+08	2.15E+08	1.89E+08	2.39E+08	1.82E+08	1.77E+08	1.79E+08	1.68E+08	1.89E+08	1.63E+08	1.73E+08	1.58E+08	1.50E+08	1.82E+08	1.55E+08	2.29E+08	1.46E+08	1.78E+08	1.93E+08	2.43E+08	2.07E+08	1.90E+08
Nicotinamide hypoxanthine dinucleotide	1.54E+05	2.28E+05	5.49E+05	3.27E+05	2.21E+05	5.93E+05	3.63E+05	5.19E+05	4.02E+05	2.18E+05	3.11E+05	2.66E+05	2.53E+05	2.99E+05	5.17E+05	2.47E+05	2.29E+05	3.01E+05	7.97E+04	2.34E+05	1.83E+05	3.05E+05	2.09E+05	1.83E+05	2.32E+05	2.79E+05	3.08E+05	2.84E+05	2.64E+05	5.14E+05	5.71E+04	1.06E+05	3.66E+05
N-Undecanoylglycine	1.48E+08	2.73E+08	1.81E+08	1.67E+08	2.31E+08	1.07E+08	1.77E+08	1.06E+08	1.39E+08	1.56E+08	1.93E+08	1.53E+08	1.18E+08	2.04E+08	2.23E+08	1.66E+08	9.93E+07	1.54E+08	1.60E+08	3.02E+08	1.18E+08	9.01E+07	1.15E+08	9.08E+07	1.46E+08	1.25E+08	9.60E+07	2.15E+08	3.13E+08	9.22E+07	9.86E+07	1.85E+08	1.43E+08
Ophthalmate	4.68E+06	5.29E+06	1.81E+07	1.22E+07	5.65E+06	1.32E+07	1.62E+07	1.99E+07	1.12E+07	3.92E+06	4.83E+06	8.65E+06	7.07E+06	5.89E+06	2.07E+07	9.88E+06	5.96E+06	5.95E+06	5.01E+06	1.19E+07	4.46E+06	6.64E+06	1.48E+07	7.73E+06	6.17E+06	3.50E+06	1.63E+07	1.34E+07	5.89E+06	1.05E+07	8.69E+06	4.78E+06	1.19E+07
Orotate	2.90E+06	3.90E+06	3.73E+06	3.02E+06	3.25E+06	5.22E+06	3.55E+06	5.38E+06	3.61E+06	2.22E+06	1.51E+06	2.26E+06	2.92E+06	2.09E+06	3.95E+06	2.39E+06	2.60E+06	2.48E+06	1.66E+06	2.07E+06	2.31E+06	2.47E+06	2.09E+06	1.89E+06	1.04E+07	6.85E+06	4.36E+06	3.72E+06	6.73E+06	8.43E+06	3.39E+06	2.84E+06	2.98E+06
Oxalate	1.19E+07	1.28E+07	2.04E+07	1.49E+07	8.50E+06	9.36E+06	1.19E+07	1.06E+07	7.37E+06	6.78E+06	7.46E+06	7.30E+06	5.19E+06	6.68E+06	7.71E+06	7.01E+06	5.70E+06	4.46E+06	6.71E+06	8.80E+06	4.34E+06	3.71E+06	5.00E+06	4.81E+06	5.38E+06	5.27E+06	7.29E+06	7.89E+06	5.57E+06	3.41E+06	5.72E+06	5.43E+06	5.76E+06
Oxoadipate	4.99E+06	6.44E+06	5.07E+06	3.51E+06	7.93E+05	5.54E+05	1.96E+06	1.90E+06	6.12E+06	5.15E+06	3.37E+06	3.25E+06	7.63E+05	1.05E+06	1.88E+06	1.27E+06	5.63E+06	3.99E+06	3.57E+06	3.60E+06	5.64E+05	7.68E+05	1.12E+06	1.19E+06	3.86E+06	3.98E+06	4.38E+06	4.33E+06	8.59E+05	7.71E+04	1.99E+06	2.12E+06	1.58E+06
Oxohexanoic acid	4.28E+10	4.09E+10	2.78E+10	2.69E+10	5.30E+10	4.52E+10	3.75E+10	3.33E+10	5.09E+10	4.28E+10	2.54E+10	3.05E+10	4.36E+10	4.00E+10	3.19E+10	2.51E+10	3.99E+10	4.07E+10	2.59E+10	2.55E+10	3.73E+10	3.95E+10	2.58E+10	2.82E+10	3.95E+10	4.21E+10	2.78E+10	2.07E+10	3.63E+10	3.91E+10	3.77E+10	3.68E+10	3.28E+10
Oxoproline	7.02E+09	7.50E+09	8.42E+09	6.78E+09	6.41E+09	1.02E+10	9.95E+09	9.11E+09	1.14E+10	6.95E+09	4.96E+09	6.06E+09	7.41E+09	6.68E+09	8.01E+09	5.43E+09	7.01E+09	6.67E+09	4.28E+09	5.65E+09	5.78E+09	6.39E+09	5.33E+09	4.05E+09	6.28E+09	5.37E+09	7.11E+09	5.89E+09	6.85E+09	8.37E+09	5.91E+09	4.38E+09	7.35E+09
P-DMEA	6.58E+08	7.54E+08	8.97E+08	6.26E+08	2.16E+08	4.71E+08	3.76E+08	4.18E+08	1.49E+09	6.48E+08	3.94E+08	5.81E+08	3.42E+08	2.90E+08	4.78E+08	2.45E+08	8.58E+08	8.11E+08	4.78E+08	8.40E+08	2.26E+08	2.32E+08	3.66E+08	2.35E+08	9.10E+08	6.53E+08	7.60E+08	6.67E+08	2.02E+08	3.00E+08	2.07E+08	1.24E+08	6.48E+08
Pentoses	6.04E+06	4.81E+06	1.30E+07	1.06E+07	6.39E+06	9.77E+06	1.27E+07	1.14E+07	9.76E+06	6.93E+06	6.93E+06	1.05E+07	7.96E+06	7.98E+06	1.23E+07	9.27E+06	6.84E+06	6.02E+06	6.39E+06	8.38E+06	3.80E+06	5.28E+06	6.08E+06	7.02E+06	4.33E+06	3.43E+06	8.07E+06	1.03E+07	4.74E+06	5.61E+06	7.03E+06	7.48E+06	6.46E+06
Phenylpyruvate	1.65E+07	1.45E+07	1.37E+07	1.25E+07	2.03E+07	1.45E+07	1.46E+07	1.35E+07	1.88E+07	2.09E+07	1.21E+07	1.43E+07	1.78E+07	1.67E+07	1.42E+07	1.14E+07	1.78E+07	1.81E+07	1.21E+07	1.30E+07	1.42E+07	1.49E+07	6.60E+06	1.06E+07	1.80E+07	1.68E+07	1.13E+07	7.41E+06	1.25E+07	1.20E+07	1.95E+07	1.88E+07	1.35E+07
Phosphoenolpyruvate	6.89E+06	8.49E+06	1.57E+07	1.03E+07	8.76E+06	1.89E+07	1.90E+07	2.93E+07	2.69E+07	6.13E+06	3.07E+06	5.03E+06	6.98E+06	5.42E+06	1.26E+07	4.09E+06	6.51E+06	6.45E+06	2.34E+06	4.51E+06	5.71E+06	8.14E+06	5.01E+06	2.57E+06	7.79E+06	5.53E+06	5.19E+06	5.75E+06	6.91E+06	7.85E+06	3.25E+06	1.74E+06	9.13E+06
PI (32:0)	3.27E+07	2.37E+07	1.11E+07	9.50E+06	2.09E+07	8.70E+06	1.40E+07	2.75E+06	8.39E+06	3.01E+07	1.16E+07	1.76E+07	1.61E+07	2.27E+07	1.14E+07	1.47E+07	2.56E+07	2.90E+07	2.24E+07	2.09E+07	1.95E+07	1.25E+07	6.28E+06	1.37E+07	3.56E+07	3.63E+07	1.22E+07	2.42E+07	2.18E+07	2.04E+07	1.29E+07	1.86E+07	1.52E+07
PS (34:2)	1.18E+08	8.69E+07	8.50E+07	8.18E+07	7.31E+07	6.13E+07	6.55E+07	4.07E+07	6.35E+07	9.29E+07	7.16E+07	7.80E+07	8.26E+07	7.92E+07	6.35E+07	4.86E+07	8.78E+07	9.49E+07	8.90E+07	8.25E+07	8.48E+07	6.78E+07	4.77E+07	6.23E+07	1.28E+08	1.45E+08	9.06E+07	9.63E+07	9.49E+07	9.58E+07	5.14E+07	7.08E+07	5.74E+07
PS (36:1)	2.03E+08	9.96E+07	1.10E+08	1.03E+08	1.09E+08	8.29E+07	1.71E+08	8.87E+07	7.84E+07	1.55E+08	1.04E+08	1.24E+08	1.49E+08	1.07E+08	1.56E+08	1.16E+08	1.47E+08	1.40E+08	1.44E+08	1.35E+08	8.59E+07	8.53E+07	8.71E+07	1.16E+08	1.62E+08	1.74E+08	1.10E+08	9.98E+07	1.06E+08	1.07E+08	7.75E+07	9.92E+07	8.44E+07
PS (36:4)	2.13E+07	1.30E+07	8.18E+06	1.06E+07	1.30E+07	9.83E+06	1.10E+07	6.05E+06	1.10E+07	1.74E+07	1.03E+07	1.28E+07	1.70E+07	1.64E+07	1.12E+07	7.88E+06	1.63E+07	1.69E+07	1.51E+07	1.34E+07	1.40E+07	1.04E+07	7.74E+06	1.00E+07	2.26E+07	2.50E+07	1.37E+07	1.31E+07	1.62E+07	1.68E+07	8.47E+06	1.18E+07	7.85E+06
PS (38:3)	6.23E+07	3.32E+07	3.61E+07	3.41E+07	3.45E+07	2.68E+07	6.13E+07	3.04E+07	2.29E+07	4.65E+07	4.02E+07	4.66E+07	4.60E+07	4.04E+07	5.19E+07	4.17E+07	4.15E+07	4.11E+07	4.92E+07	4.39E+07	3.27E+07	2.53E+07	3.00E+07	3.75E+07	4.08E+07	4.76E+07	3.57E+07	3.70E+07	3.12E+07	2.94E+07	2.33E+07	3.06E+07	2.89E+07
PS (38:5)	9.92E+07	6.58E+07	6.15E+07	5.90E+07	5.13E+07	4.64E+07	5.74E+07	3.12E+07	5.13E+07	8.11E+07	6.13E+07	6.59E+07	7.15E+07	6.38E+07	5.38E+07	4.29E+07	7.30E+07	7.16E+07	7.41E+07	7.09E+07	5.68E+07	4.46E+07	3.98E+07	4.37E+07	9.13E+07	9.88E+07	6.66E+07	6.97E+07	5.88E+07	6.21E+07	3.99E+07	4.77E+07	4.33E+07
PS (38:6)	2.68E+07	1.68E+07	1.51E+07	1.70E+07	1.64E+07	1.29E+07	1.52E+07	7.19E+06	1.68E+07	2.37E+07	1.60E+07	2.00E+07	2.22E+07	1.98E+07	1.37E+07	1.22E+07	2.15E+07	2.35E+07	1.98E+07	1.83E+07	1.79E+07	1.41E+07	1.01E+07	1.27E+07	2.74E+07	3.05E+07	1.71E+07	1.98E+07	1.76E+07	1.89E+07	9.68E+06	1.31E+07	1.29E+07
PS (40:5)	5.07E+08	2.93E+08	3.17E+08	2.95E+08	2.21E+08	1.69E+08	4.56E+08	2.05E+08	1.89E+08	3.97E+08	3.39E+08	3.96E+08	3.38E+08	2.85E+08	3.74E+08	2.98E+08	3.35E+08	3.12E+08	4.29E+08	3.82E+08	2.12E+08	1.64E+08	2.08E+08	2.54E+08	2.89E+08	3.10E+08	2.80E+08	2.97E+08	2.00E+08	1.79E+08	1.54E+08	1.92E+08	2.20E+08
PS (40:6)	4.53E+08	3.05E+08	3.20E+08	3.12E+08	2.29E+08	1.83E+08	3.81E+08	1.96E+08	2.08E+08	3.74E+08	3.38E+08	3.82E+08	3.09E+08	2.84E+08	3.40E+08	2.63E+08	3.21E+08	3.14E+08	4.04E+08	3.84E+08	2.37E+08	1.79E+08	2.06E+08	2.43E+08	3.36E+08	3.72E+08	3.07E+08	3.37E+08	2.31E+08	2.10E+08	1.56E+08	2.08E+08	2.23E+08
PS (40:7)	8.51E+07	5.99E+07	7.12E+07	6.90E+07	6.78E+07	4.66E+07	7.49E+07	4.87E+07	5.22E+07	7.64E+07	7.62E+07	8.00E+07	7.51E+07	7.36E+07	7.25E+07	6.07E+07	6.71E+07	7.08E+07	7.79E+07	7.50E+07	5.91E+07	4.65E+07	4.83E+07	5.61E+07	8.37E+07	9.10E+07	7.34E+07	8.26E+07	6.15E+07	5.50E+07	4.08E+07	5.67E+07	5.20E+07
Psicose	1.01E+08	1.12E+08	9.90E+07	7.76E+07	1.01E+08	1.75E+08	1.25E+08	1.35E+08	2.13E+08	1.04E+08	5.92E+07	6.98E+07	1.22E+08	9.74E+07	1.06E+08	7.28E+07	1.08E+08	1.06E+08	4.90E+07	6.67E+07	1.12E+08	1.30E+08	7.80E+07	5.83E+07	1.03E+08	9.46E+07	1.00E+08	8.04E+07	1.60E+08	1.87E+08	1.05E+08	7.02E+07	1.22E+08
Pyruvate	2.63E+08	3.05E+08	1.83E+09	1.57E+09	2.67E+08	3.87E+08	1.69E+09	1.69E+09	3.63E+08	2.54E+08	1.28E+09	1.58E+09	3.24E+08	2.88E+08	1.57E+09	1.06E+09	2.93E+08	3.05E+08	1.11E+09	1.60E+09	2.19E+08	2.40E+08	1.19E+09	1.05E+09	2.63E+08	2.31E+08	1.82E+09	1.55E+09	2.78E+08	2.73E+08	1.10E+09	8.83E+08	7.70E+08
Quinolinate	2.88E+05	2.54E+05	8.57E+05	8.14E+05	N/F	N/F	N/F	N/F	9.07E+05	3.93E+05	4.97E+05	6.37E+05	N/F	N/F	N/F	N/F	9.71E+04	3.87E+05	6.17E+05	4.37E+05	N/F	N/F	N/F	N/F	3.16E+05	5.61E+05	1.04E+06	3.09E+05	N/F	N/F	N/F	N/F	N/F
Ribitol	2.48E+07	3.86E+07	3.13E+07	2.47E+07	2.99E+07	4.85E+07	3.83E+07	4.08E+07	4.92E+07	2.97E+07	2.00E+07	2.69E+07	3.56E+07	3.35E+07	4.39E+07	2.71E+07	3.35E+07	3.17E+07	1.75E+07	2.41E+07	3.32E+07	3.70E+07	2.87E+07	2.07E+07	3.04E+07	2.73E+07	3.33E+07	2.69E+07	4.57E+07	5.44E+07	2.69E+07	2.03E+07	3.52E+07
Riboflavin	4.40E+06	5.68E+06	6.61E+06	7.43E+06	9.84E+06	8.28E+06	1.03E+07	9.31E+06	8.26E+06	4.63E+06	6.10E+06	8.11E+06	7.35E+06	6.83E+06	7.95E+06	6.69E+06	5.61E+06	5.77E+06	5.22E+06	6.42E+06	6.69E+06	6.67E+06	6.23E+06	7.09E+06	5.81E+06	4.50E+06	6.56E+06	4.28E+06	6.34E+06	6.12E+06	1.11E+07	1.08E+07	5.39E+06
Ribulose/Ribose/Xylulose 5-phosphate	2.57E+07	3.11E+07	3.32E+07	2.60E+07	2.00E+07	5.42E+07	2.35E+07	2.95E+07	7.33E+07	2.49E+07	1.06E+07	1.79E+07	2.70E+07	2.39E+07	2.66E+07	1.01E+07	3.26E+07	3.08E+07	8.63E+06	1.80E+07	2.24E+07	2.72E+07	1.48E+07	7.28E+06	3.15E+07	1.92E+07	2.51E+07	2.51E+07	2.87E+07	4.43E+07	1.35E+07	7.06E+06	3.43E+07
Saccharopine	2.45E+07	2.93E+07	2.12E+07	1.36E+07	3.23E+06	7.15E+06	5.49E+06	5.81E+06	7.11E+07	2.47E+07	6.32E+06	1.16E+07	4.15E+06	4.02E+06	5.63E+06	2.96E+06	3.24E+07	3.20E+07	6.99E+06	1.26E+07	3.34E+06	4.49E+06	3.75E+06	1.97E+06	4.99E+07	3.26E+07	2.94E+07	2.86E+07	5.31E+06	7.66E+06	2.54E+06	1.39E+06	1.93E+07
Salicylamide	7.38E+05	1.25E+05	1.94E+06	1.14E+06	2.28E+06	1.16E+06	7.37E+05	1.03E+06	1.46E+06	9.89E+05	1.52E+06	2.28E+06	9.83E+05	2.36E+06	2.90E+06	3.98E+06	1.74E+06	1.52E+06	9.53E+05	2.02E+06	3.41E+06	3.40E+06	1.45E+06	2.12E+06	1.97E+06	9.77E+05	1.68E+06	1.93E+06	1.84E+06	1.66E+06	2.08E+06	1.89E+06	1.25E+06
Salicylate	2.76E+07	3.69E+07	4.20E+07	2.98E+07	4.37E+07	2.68E+07	3.22E+07	2.32E+07	2.17E+07	3.05E+07	2.86E+07	2.90E+07	2.11E+07	2.82E+07	3.85E+07	3.31E+07	3.23E+07	3.48E+07	2.80E+07	3.55E+07	3.13E+07	2.70E+07	2.19E+07	2.42E+07	4.62E+07	4.81E+07	2.57E+07	3.30E+07	3.72E+07	2.46E+07	3.82E+07	3.65E+07	7.74E+07
Sedoheptulose 7-phosphate	3.59E+07	4.60E+07	3.08E+07	2.44E+07	3.07E+07	6.53E+07	2.90E+07	3.71E+07	1.20E+08	3.61E+07	1.09E+07	1.62E+07	3.98E+07	3.46E+07	3.60E+07	1.75E+07	5.78E+07	5.20E+07	9.58E+06	2.04E+07	3.39E+07	4.09E+07	2.29E+07	1.18E+07	5.91E+07	4.56E+07	2.63E+07	2.48E+07	4.83E+07	6.94E+07	1.77E+07	9.56E+06	4.53E+07
Suberate	6.24E+06	1.18E+07	1.33E+07	9.08E+06	6.98E+06	6.04E+06	6.06E+06	6.96E+06	1.22E+07	7.87E+06	7.69E+06	8.06E+06	5.84E+06	8.02E+06	1.18E+07	1.22E+07	9.38E+06	7.79E+06	8.49E+06	1.17E+07	7.77E+06	5.12E+06	6.00E+06	6.19E+06	8.06E+06	7.45E+06	9.49E+06	2.10E+07	1.41E+07	5.13E+06	5.89E+06	6.39E+06	8.62E+06
Succinate	3.07E+08	3.72E+08	3.74E+08	2.87E+08	1.85E+08	3.10E+08	2.61E+08	2.69E+08	6.08E+08	2.82E+08	1.89E+08	2.43E+08	2.06E+08	1.94E+08	2.45E+08	1.57E+08	3.40E+08	3.07E+08	1.88E+08	2.68E+08	1.69E+08	1.92E+08	1.72E+08	1.20E+08	3.30E+08	2.74E+08	3.22E+08	2.52E+08	1.63E+08	1.95E+08	1.96E+08	1.30E+08	2.69E+08
Sulfolactate	5.92E+06	2.82E+07	1.04E+07	8.06E+06	1.01E+07	9.18E+06	6.95E+06	9.74E+06	1.15E+07	8.94E+06	5.06E+06	6.19E+06	6.52E+06	6.95E+06	2.52E+07	8.85E+06	9.47E+06	9.16E+06	5.15E+06	7.65E+06	1.03E+07	1.06E+07	5.85E+06	4.10E+06	1.26E+07	1.02E+07	8.25E+06	1.15E+07	2.46E+07	1.94E+07	5.58E+06	7.12E+06	1.64E+07
Tartrate	2.21E+06	4.20E+06	6.97E+06	5.07E+06	2.42E+06	9.02E+06	2.95E+06	3.62E+06	3.34E+06	2.64E+06	2.34E+06	3.31E+06	2.83E+06	2.79E+06	2.26E+06	1.76E+06	4.56E+06	2.20E+06	2.73E+06	6.73E+06	1.95E+06	1.78E+06	1.61E+06	7.91E+05	5.55E+06	1.88E+06	3.38E+06	5.33E+06	2.36E+06	2.31E+06	2.09E+06	1.50E+06	4.96E+06
Thioproline	2.92E+07	2.94E+07	2.07E+07	1.45E+07	2.43E+07	3.62E+07	3.20E+07	2.71E+07	5.53E+07	3.22E+07	1.49E+07	2.49E+07	4.20E+07	3.40E+07	3.31E+07	1.99E+07	3.47E+07	3.57E+07	1.34E+07	1.91E+07	3.02E+07	2.63E+07	9.28E+06	1.48E+07	3.41E+07	2.47E+07	1.97E+07	1.56E+07	3.20E+07	3.31E+07	1.65E+07	1.07E+07	2.43E+07
Threonate	8.25E+08	1.08E+09	9.97E+08	7.55E+08	9.62E+08	1.87E+09	1.05E+09	1.16E+09	2.01E+09	9.96E+08	4.82E+08	6.30E+08	1.23E+09	1.13E+09	1.11E+09	6.40E+08	1.24E+09	1.21E+09	3.60E+08	6.46E+08	1.08E+09	1.27E+09	7.22E+08	4.57E+08	1.07E+09	9.58E+08	8.71E+08	8.16E+08	1.32E+09	1.74E+09	5.23E+08	3.58E+08	1.20E+09
Thymidine monophosphate	5.79E+05	1.01E+06	3.05E+05	1.35E+05	8.36E+05	2.72E+06	2.22E+05	5.40E+05	3.04E+06	7.09E+05	1.15E+05	1.16E+05	1.25E+06	9.14E+05	4.46E+05	6.58E+04	1.16E+06	9.74E+05	3.41E+04	7.43E+04	7.54E+05	1.15E+06	1.63E+05	8.20E+04	9.00E+05	6.30E+05	1.79E+05	6.40E+04	1.08E+06	1.79E+06	4.41E+04	5.13E+04	1.13E+06
Thymidine triphosphate	1.88E+06	2.51E+06	4.63E+05	4.06E+05	2.23E+06	6.42E+06	3.47E+05	6.06E+05	6.37E+06	1.27E+06	8.36E+04	1.47E+05	1.82E+06	1.51E+06	3.18E+05	9.44E+04	1.76E+06	1.83E+06	4.64E+04	1.46E+05	1.25E+06	1.70E+06	1.55E+05	6.20E+04	2.51E+06	1.51E+06	2.88E+05	1.92E+05	1.79E+06	3.51E+06	1.23E+05	7.32E+04	1.52E+06
Thymine	3.09E+05	1.00E+06	5.36E+05	5.41E+05	4.65E+05	8.77E+05	3.12E+05	1.54E+05	1.30E+06	1.05E+06	4.60E+05	5.65E+05	6.17E+05	5.55E+05	7.10E+05	5.90E+05	1.17E+06	6.70E+05	6.01E+05	2.93E+05	1.08E+06	4.91E+05	4.05E+05	3.89E+05	9.67E+05	1.20E+06	5.38E+05	7.22E+05	8.20E+05	6.07E+05	5.52E+05	8.64E+05	1.04E+06
trans-Aconitate	4.00E+08	4.70E+08	2.07E+08	1.36E+08	4.45E+08	8.36E+08	3.01E+08	3.58E+08	8.04E+08	3.41E+08	4.21E+07	7.01E+07	5.40E+08	4.76E+08	3.16E+08	1.31E+08	4.60E+08	4.39E+08	3.36E+07	6.67E+07	4.01E+08	4.82E+08	1.73E+08	8.87E+07	3.85E+08	2.89E+08	1.05E+08	7.76E+07	4.44E+08	6.29E+08	1.41E+08	7.36E+07	4.67E+08
UDP-glucose	4.14E+08	5.72E+08	1.36E+08	1.02E+08	4.60E+08	1.04E+09	1.31E+08	1.89E+08	1.25E+09	3.91E+08	5.01E+07	7.71E+07	5.82E+08	4.93E+08	1.71E+08	8.35E+07	6.18E+08	5.96E+08	4.52E+07	9.09E+07	4.44E+08	5.84E+08	1.06E+08	6.00E+07	7.01E+08	4.68E+08	1.24E+08	1.16E+08	5.91E+08	8.97E+08	7.65E+07	4.83E+07	4.27E+08
UDP-N-acetylglucosamine	1.10E+09	1.34E+09	2.34E+09	1.95E+09	1.01E+09	2.18E+09	2.61E+09	3.27E+09	2.76E+09	1.02E+09	9.43E+08	1.41E+09	1.32E+09	1.10E+09	3.19E+09	1.82E+09	1.50E+09	1.46E+09	6.91E+08	1.46E+09	1.04E+09	1.31E+09	2.15E+09	1.34E+09	1.68E+09	1.15E+09	1.91E+09	1.96E+09	1.39E+09	2.00E+09	1.68E+09	1.23E+09	1.85E+09
Uracil	1.84E+07	1.93E+07	1.73E+07	1.66E+07	1.90E+07	1.39E+07	2.61E+07	1.92E+07	2.32E+07	2.21E+07	1.56E+07	2.43E+07	2.29E+07	1.94E+07	2.17E+07	2.09E+07	2.21E+07	2.07E+07	2.19E+07	2.35E+07	2.01E+07	1.84E+07	1.46E+07	2.17E+07	2.33E+07	2.25E+07	2.43E+07	1.87E+07	1.78E+07	1.77E+07	1.82E+07	2.30E+07	2.06E+07
Urate	3.65E+07	4.20E+07	5.83E+07	5.52E+07	3.25E+07	4.56E+07	6.60E+07	5.51E+07	7.20E+07	5.32E+07	5.01E+07	5.19E+07	3.97E+07	3.96E+07	5.05E+07	3.97E+07	5.22E+07	4.46E+07	3.78E+07	4.70E+07	3.44E+07	3.80E+07	3.32E+07	3.00E+07	4.55E+07	4.14E+07	5.46E+07	4.56E+07	4.09E+07	4.28E+07	5.68E+07	4.55E+07	4.32E+07
Ureidosuccinate	3.49E+07	3.10E+07	5.66E+09	4.51E+09	3.16E+07	3.73E+07	4.22E+09	4.79E+09	5.24E+07	3.48E+07	3.56E+09	4.04E+09	4.49E+07	4.11E+07	5.18E+09	3.45E+09	4.48E+07	3.83E+07	3.04E+09	4.66E+09	3.79E+07	3.87E+07	3.79E+09	2.86E+09	3.50E+07	3.35E+07	5.46E+09	5.54E+09	4.23E+07	4.74E+07	2.74E+09	2.30E+09	2.85E+09
Uridine	9.46E+05	1.15E+06	6.54E+05	7.79E+05	1.50E+06	1.44E+06	7.74E+05	7.00E+05	1.34E+06	1.31E+06	5.73E+05	5.98E+05	1.39E+06	1.44E+06	8.14E+05	8.46E+05	1.17E+06	1.50E+06	7.87E+05	7.44E+05	1.10E+06	1.09E+06	6.64E+05	7.03E+05	2.09E+06	1.76E+06	7.02E+05	8.99E+05	1.74E+06	1.51E+06	4.87E+05	1.04E+06	1.10E+06
Uridine diphosphate	1.49E+07	2.04E+07	2.97E+06	2.03E+06	1.92E+07	4.65E+07	2.87E+06	4.31E+06	7.68E+07	2.10E+07	1.48E+06	1.73E+06	3.20E+07	3.01E+07	3.63E+06	1.73E+06	3.39E+07	3.46E+07	1.40E+06	1.90E+06	2.45E+07	2.79E+07	2.14E+06	1.18E+06	4.40E+07	2.96E+07	2.92E+06	3.02E+06	2.91E+07	4.78E+07	2.00E+06	1.35E+06	1.65E+07
Uridine monophosphate	1.04E+07	1.50E+07	6.56E+06	4.99E+06	1.36E+07	2.99E+07	6.44E+06	9.15E+06	3.82E+07	1.46E+07	3.43E+06	4.49E+06	1.96E+07	1.84E+07	9.24E+06	5.12E+06	2.28E+07	2.08E+07	2.89E+06	4.96E+06	1.58E+07	1.97E+07	6.86E+06	3.85E+06	2.31E+07	1.78E+07	7.23E+06	6.75E+06	2.19E+07	3.09E+07	4.64E+06	3.72E+06	1.83E+07
Uridine triphosphate	8.65E+07	1.13E+08	7.35E+06	6.10E+06	9.73E+07	2.70E+08	6.24E+06	9.29E+06	2.45E+08	5.23E+07	2.19E+06	2.70E+06	7.81E+07	6.46E+07	6.12E+06	2.65E+06	7.32E+07	7.93E+07	2.04E+06	2.68E+06	5.39E+07	7.00E+07	3.09E+06	1.76E+06	1.30E+08	7.65E+07	4.88E+06	4.12E+06	7.72E+07	1.44E+08	4.02E+06	2.48E+06	5.83E+07
Valine	1.94E+09	2.06E+09	3.52E+09	2.75E+09	2.28E+09	3.68E+09	4.16E+09	3.82E+09	3.62E+09	2.22E+09	2.02E+09	2.79E+09	2.70E+09	2.37E+09	3.79E+09	2.53E+09	2.08E+09	2.05E+09	1.88E+09	2.44E+09	2.13E+09	2.27E+09	2.35E+09	2.01E+09	2.10E+09	1.63E+09	3.26E+09	2.69E+09	2.31E+09	2.82E+09	2.59E+09	2.03E+09	2.84E+09
Xanthine	1.37E+08	1.58E+08	2.43E+08	1.87E+08	1.97E+08	2.27E+08	2.73E+08	2.17E+08	2.08E+08	1.44E+08	1.20E+08	1.50E+08	1.43E+08	1.37E+08	1.72E+08	1.20E+08	1.21E+08	1.26E+08	1.08E+08	1.30E+08	1.16E+08	1.20E+08	1.10E+08	1.20E+08	1.33E+08	1.23E+08	1.38E+08	1.11E+08	1.16E+08	1.34E+08	1.45E+08	1.53E+08	1.26E+08
Xanthosine	N/F	5.62E+05	6.06E+05	2.22E+05	3.67E+05	1.16E+06	8.62E+05	7.47E+05	1.48E+06	6.25E+05	6.34E+04	4.40E+05	3.09E+05	3.95E+05	3.81E+05	6.24E+04	8.01E+05	6.21E+05	8.01E+04	1.50E+05	3.25E+05	6.46E+05	4.94E+05	2.25E+05	1.37E+05	3.02E+05	3.77E+05	2.85E+05	6.70E+05	9.14E+05	6.21E+05	1.84E+05	5.54E+05
Xanthosine monophosphate	8.29E+04	2.10E+05	N/F	N/F	1.71E+05	8.74E+05	9.23E+04	2.74E+05	9.62E+05	1.44E+05	2.79E+04	5.21E+04	5.05E+05	3.79E+05	1.67E+05	2.18E+04	3.03E+05	2.96E+05	2.20E+04	2.46E+04	2.30E+05	4.24E+05	7.52E+04	3.99E+04	3.93E+05	1.92E+05	N/F	1.22E+05	4.16E+05	6.87E+05	N/F	6.66E+04	3.34E+05
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG	Retention time	M/z	Formula
1-Hydroxy-2-naphthoate	C03203	2.5	187.040045	C11H8O3
2',4'-Dihydroxyacetophenone	C03663	1.8	151.0400441	C8H8O3
2-/3-Phosphoglycerate	C00597/C00631 	9.9	184.9856391	C3H7O7P
2-Hydroxy-4-(methylthio)butanoate		3.5	149.0277649	C5H10O3S
2-Hydroxybutyrate	C05984	4.5	103.0400441	C4H8O3
2-Hydroxyglutarate	C01087	9.0	147.0298734	C5H8O5
2-Hydroxyphenylacetate	C05852 	3.7	151.0400441	C8H8O3
2-Mannosyl-3-phosphoglycerate	C16699	8.7	347.0384625	C9H17O12P
3-(2-Hydroxyphenyl)propanoate	C01198	3.0	165.0556942	C9H10O3
3-(4-Hydroxyphenyl)pyruvate	C01179	4.7	179.0349587	C9H8O4
3-Dehydroshikimate	C02637	6.9	171.0298734	C7H8O5
3-Hydroxybutyrate	C01089	5.7	103.0400441	C4H8O3
3-Hydroxymethylglutarate	C03761	8.3	161.0455234	C6H10O5
3-Methyl-2-oxindole		7.3	146.061114	C9H9NO
3-Methyl-2-oxovalerate	C03465	2.7	129.0556942	C6H10O3
3-Sulfinoalanine	C00606	8.0	152.0022784	C3H7NO4S
4-Pyridoxate	C00847	2.5	182.0458578	C8H9NO4
6-Carboxyhexanoate	C02656	7.9	159.06626	C7H12O4
6-Phosphogluconate	C00345	10.4	275.0173331	C6H13O10P
Acetoin	C00466	8.6	87.04513	C4H8O2
Acetylacrylate	C07091	7.0	113.0243941	C5H6O3
Adenosine diphosphate	C00008	8.9	426.0221147	C10H15N5O10P2
Adenosine diphosphate ribose	C00301	8.6	558.0643735	C15H23N5O14P2
Adipate	C06104 	8.3	145.0506088	C6H10O4
Ala-Leu		4.3	201.1244424	C9H18N2O3
Allantoin	C01551	6.3	157.0366901	C4H6N4O3
alpha-Ketoglutarate	C00026	9.2	145.0142233	C5H6O5
Aniline-2-sulfonate	C06333	4.5	172.007366	C6H7NO3S
Aspartate	C16433	8.2	132.0302077	C4H7NO4
Azelate	C08261	7.0	187.097559	C9H16O4
cadaverine
CDP-ethanolamine	C00570	8.8	445.0530805	C11H20N4O11P2
Citrate/Isocitrate	C00158/C00311	11.0	191.0197026	C6H8O7
Cyclic ADP-ribose	C13050	8.2	540.0538	C15H21N5O13P2
Cytidine	C00475	5.5	244.0928205	C9H13N3O5
Decanoate	C01571	2.0	171.1390299	C10H20O2
Deoxyadenosine triphosphate	C00131	9.2	489.9935305	C10H16N5O12P3
Deoxycytidine diphosphate	C00705	9.5	386.0159667	C9H15N3O10P2
Deoxycytidine monophosphate	C00239	8.4	306.0496363	C9H14N3O7P
Deoxycytidine triphosphate
Deoxyguanosine diphosphate	C00361	9.9	426.0221147	C10H15N5O10P2
Deoxyinosine	C05512	4.6	251.0785549	C10H12N4O4
Deoxyinosine diphosphate
Deoxypentose monophosphates	C16637	8.0	213.0169392	C5H11O7P
Deoxyribose	C01801	5.2	133.0506088	C5H10O4
Deoxyuridine	C00526	3.3	227.0673215	C9H12N2O5
Deoxyuridine diphosphate
Deoxyuridine monophosphate	C00365	7.9	307.0336519	C9H13N2O8P
Deoxyuridine triphosphate	C00460	9.9	466.9663127	C9H15N2O14P3
Dihydroorotate	C00337	6.6	157.0254567	C5H6N2O4
Dihydroxyacetone phosphate	C00111	9.0	168.9907245	C3H7O6P
dTDP-glucose	C00842	8.4	563.0684558	C16H26N2O16P2
Erythritol	C00503	5.2	121.0506088	C4H10O4
Ethylmalonate		6.9	131.0349587	C5H8O4
FA (12:0)	C02679	1.3	199.17033	C12H24O2
FA (14:0)	C06424	1.6	227.2016	C14H28O2
FA (16:0)	C00249	1.6	255.2329	C16H32O2
FA (16:1)	C08362	1.7	253.2172802	C16H30O2
FA (18:0)	C01530	1.3	283.2642304	C18H36O2
FA (18:1)	C00712	1.3	281.2486	C18H34O2
FA (20:0)	C06425	1.3	311.2955305	C20H40O2
FA (20:2)	C16525	1.3	307.2642304	C20H36O2
FA (8:0)	C06423	1.2	143.1077298	C8H16O2
Fructose 1,6-bisphosphate	C00354	11.2	338.9887489	C6H14O12P2
Fructose 6-phosphate	C00085	9.0	259.0224185	C6H13O9P
Fumarate	C00122	9.3	115.0036586	C4H4O4
Galactarate	C00879	9.8	209.0302673	C6H10O8
Glu-Asp		8.6	261.0728008	C9H14N2O7
Gluconate	C00257	7.8	195.0510027	C6H12O7
Gluconolactone	C00198	4.5	177.0404381	C6H10O6
Glucosamine 6-phosphate	C00352	9.1	258.0384029	C6H14NO8P
Glucose	C00267	6.8	179.0560881	C6H12O6
Glucose 6-phosphate	C00092	9.4	259.0224185	C6H13O9P
Glucuronolactone	C02670	4.4	175.024788	C6H8O6
Glu-Glu		9.8	275.0884509	C10H16N2O7
Glutarate	C00489	8.6	131.0349587	C5H8O4
Glyceraldehyde 3-phosphate	C00661	9.7	168.990728	C3H7O6P
Glycerol 3-phosphate	C00093	8.5	171.0063745	C3H9O6P
Glycerophosphoethanolamine	C01233	8.2	214.0486	C5H14NO6P
Glycerophosphoinositol		8.7	333.059198	C9H19O11P
Glycochenodeoxycholate	C05466	3.2	448.306824	C26H43NO5
Glycocholate	C01921	3.9	464.3017381	C26H43NO6
Gly-Leu		5.3	187.1087924	C8H16N2O3
Guanosine diphosphate	C00035	10.4	442.0170294	C10H15N5O11P2
Guanosine diphosphate mannose	C00096	10.3	604.0698528	C16H25N5O16P2
Guanosine monophosphate	C00144	9.3	362.050699	C10H14N5O8P
Guanosine triphosphate
Hexitols	C00749	6.7	181.0717382	C6H14O6
Hippurate	C01586	3.9	178.0509432	C9H9NO3
Hydroxy-FA (10:0)	C02774	2.5	187.133945	C10H20O3
Hydroxy-FA (18:1)	C08365	1.6	297.243495	C18H34O3
Hydroxy-FA (6:0)		1.6	131.0713443	C6H12O3
Hydroxy-FA (7:0)		1.6	145.0869943	C7H14O3
Hydroxy-FA (8:0)	C20793	1.6	159.1026	C8H16O3
Hydroxyphenyllactate	C03672	5.2	181.0506088	C9H10O4
Indole-3-acetate	C00954	4.9	174.0560285	C10H9NO2
Indoleacetaldehyde	C00637	2.5	158.0611139	C10H9NO
Indoxyl sulfate	C08481	4.1	212.0022784	C8H7NO4S
Inosine monophosphate	C00130	8.7	347.0397999	C10H13N4O8P
Itaconate	C00490	8.7	129.0193087	C5H6O4
Lactate	C01432	5.9	89.02439406	C3H6O3
Leu-Val		3.3	229.1557426	C11H22N2O3
Lithocholyltaurine	C02592	2.4	482.2945442	C26H45NO5S
Lumichrome	C01727	2.4	241.073076	C12H10N4O2
Malate	C00149	9.3	133.0142233	C4H6O5
Malonate	C00383	8.9	103.0036586	C3H4O4
Methyglutarate		8.2	145.0506088	C6H10O4
Mevalonate	C00418	5.1	147.06626	C6H12O4
Myoinositol	C00137	8.4	179.0560881	C6H12O6
N-Acetylalanine		5.1	130.0509432	C5H9NO3
N-Acetylasparagine		6.7	173.0567568	C6H10N2O4
N-Acetylaspartate	C01042	8.6	174.0407724	C6H9NO5
N-Acetylcysteine		4.6	162.0230138	C5H9NO3S
N-Acetylglycine		5.7	116.0352931	C4H7NO3
N-Acetylhexosamine phosphate		8.6	300.0489676	C8H16NO9P
N-Acetylhexosamine sulfate	C03953	6.7	300.0394518	C8H15NO9S
N-Acetylleucine	C02710	3.3	172.0978934	C8H15NO3
N-Acetylmethionine	C02712	3.7	190.054314	C7H13NO3S
N-Acetylornithine	C00437	7.2	173.0931	C7H14N2O3
N-Acetylphenylalanine	C03519	3.2	206.0822433	C11H13NO3
N-Acetylserine		6.4	146.0458578	C5H9NO4
N-Acetyltryptophan		4.2	245.0931423	C13H14N2O3
NADH	C00004	8.2	664.1174717	C21H29N7O14P2
N-Formylmethionine	C03145	4.2	176.0386639	C6H11NO3S
Nicotinamide hypoxanthine dinucleotide	C04423	8.3	663.08584	C21H26N6O15P2
N-Undecanoylglycine		2.5	242.1761437	C13H25NO3
Ophthalmate	C21016	7.4	288.1200854	C11H19N3O6
Orotate	C00295	5.7	155.0098066	C5H4N2O4
Oxalate	C00209	11.2	88.98800855	C2H2O4
Oxoadipate	C00322	8.7	159.029875	C6H8O5
Oxohexanoic acid	C00902	1.9	129.0556942	C6H10O3
Oxoproline	C01879	5.7	128.0352931	C5H7NO3
P-DMEA	C13482	8.0	168.0430944	C4H12NO4P
Pentoses	C00121	6.3	149.0455234	C5H10O5
Phenylpyruvate	C00166	2.7	163.0400441	C9H8O3
Phosphoenolpyruvate	C00074	10.7	166.9750744	C3H5O6P
PI (32:0)		1.3	809.5185291	C41H79O13P
PS (34:2)		1.3	758.4977341	C40H74NO10P
PS (36:1)		1.3	788.5446848	C42H80NO10P
PS (36:4)		1.3	782.4977341	C42H74NO10P
PS (38:3)		1.3	812.5446848	C44H80NO10P
PS (38:5)		1.3	808.5133846	C44H76NO10P
PS (38:6)		1.3	806.4977346	C44H74NO10P
PS (40:5)		1.3	836.5446848	C46H80NO10P
PS (40:6)		1.3	834.5290347	C46H78NO10P
PS (40:7)		1.3	832.5133846	C46H76NO10P
Psicose	C06468	5.5	179.05609	C6H12O6
Pyruvate	C00022	5.0	87.0087	C3H4O3
Quinolinate	C03722	9.0	166.0145577	C7H5NO4
Ribitol	C00474	6.0	151.0611735	C5H12O5
Riboflavin	C00255	3.9	375.1309844	C17H20N4O6
Ribulose/Ribose/Xylulose 5-phosphate	C00199/C00117/C00231	8.9	229.0118538	C5H11O8P
Saccharopine
Salicylamide		1.8	136.0403785	C7H7NO2
Salicylate	C00805	2.7	137.0243941	C7H6O3
Sedoheptulose 7-phosphate	C05382	9.4	289.033	C7H15O10P
Suberate	C08278	7.5	173.0819089	C8H14O4
Succinate	C00042	8.8	117.0193087	C4H6O4
Sulfolactate	C11537	10.5	168.9812	C3H6O6S
Tartrate	C00898	9.8	149.0091379	C4H6O6
Thioproline		5.0	132.0124492	C4H7NO2S
Threonate		7.4	135.0298734	C4H8O5
Thymidine monophosphate	C00364	7.4	321.049302	C10H15N2O8P
Thymidine triphosphate
Thymine	C00178	2.6	125.0356274	C5H6N2O2
trans-Aconitate	C02341	11.1	173.0091379	C6H6O6
UDP-glucose	C00029	9.4	565.0477204	C15H24N2O17P2
UDP-N-acetylglucosamine	C00043	8.8	606.0742695	C17H27N3O17P2
Uracil	C00106	3.2	111.0199774	C4H4N2O2
Urate	C00366	7.2	167.02104	C5H4N4O3
Ureidosuccinate		10.0	175.0360214	C5H8N2O5
Uridine	C00299	4.3	243.0622361	C9H12N2O6
Uridine diphosphate	C00015	9.7	402.9948969	C9H14N2O12P2
Uridine monophosphate	C00105	8.6	323.0285665	C9H13N2O9P
Uridine triphosphate	C00075	10.5	482.9612274	C9H15N2O15P3
Valine	C16436	6.1	116.0716786	C5H11NO2
Xanthine	C00385	5.3	151.0261254	C5H4N4O2
Xanthosine	C01762	7.0	283.0683841	C10H12N4O6
Xanthosine monophosphate	C00655	10.6	363.034719	C10H13N4O9P
METABOLITES_END
#END