#METABOLOMICS WORKBENCH cbeekman_20240117_124246 DATATRACK_ID:4594 STUDY_ID:ST003277 ANALYSIS_ID:AN005368 PROJECT_ID:PR001952
VERSION             	1
CREATED_ON             	June 20, 2024, 9:08 am
#PROJECT
PR:PROJECT_TITLE                 	Spatial analysis of murine GI reveals role of small intestinal bile acid
PR:PROJECT_TITLE                 	metabolism in amoxicillin-induced dysbiosis
PR:PROJECT_SUMMARY               	Antibiotics cause collateral damage to resident microbes that is associated with
PR:PROJECT_SUMMARY               	various health risks. To-date, studies have largely focused on impacts of
PR:PROJECT_SUMMARY               	antibiotics on large intestinal and fecal microbiota. Here, we employ a GI-wide
PR:PROJECT_SUMMARY               	integrated multiomic approach to reveal that amoxicillin (AMX) treatment reduces
PR:PROJECT_SUMMARY               	overall bacterial abundance, bile salt hydrolase activity and unconjugated bile
PR:PROJECT_SUMMARY               	acids in the small intestine (SI). An accompanying loss of fatty acids and
PR:PROJECT_SUMMARY               	increase in acyl-carnitines in the large intestine corresponded with
PR:PROJECT_SUMMARY               	spatially-distinct expansions of proteobacteria. Parasuterella excrementihominis
PR:PROJECT_SUMMARY               	utilized fatty acid biosynthesis, becoming dominant in the SI while multiple
PR:PROJECT_SUMMARY               	Klebsiella species employed fatty acid oxidation during expansion in the large
PR:PROJECT_SUMMARY               	intestine. Depletion of bile acids and lipids may contribute to AMX-induced
PR:PROJECT_SUMMARY               	dysbiosis in the lower GI. To test this, we demonstrate that restoration of
PR:PROJECT_SUMMARY               	unconjugated bile acids can mitigate losses of commensals in the large intestine
PR:PROJECT_SUMMARY               	while also inhibiting the expansion of Proteobacteria during AMX treatment.
PR:INSTITUTE                     	Brown University
PR:LAST_NAME                     	Beekman
PR:FIRST_NAME                    	Chapman
PR:ADDRESS                       	BMC 613, 171 Meeting Street, Providence RI 02912
PR:EMAIL                         	Chapman_Beekman@brown.edu
PR:PHONE                         	4012071832
#STUDY
ST:STUDY_TITLE                   	LC-MS/MS spatial analysis of mouse GI
ST:STUDY_SUMMARY                 	untargeted metabolomic analysis of lumenal contents from AMX-treated and
ST:STUDY_SUMMARY                 	untreated mice
ST:INSTITUTE                     	Brown University
ST:LAST_NAME                     	Beekman
ST:FIRST_NAME                    	Chapman
ST:ADDRESS                       	BMC 613, 171 Meeting Street, Providence RI 02912
ST:EMAIL                         	Chapman_Beekman@brown.edu
ST:PHONE                         	4012071832
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	C57/BL6
SU:ANIMAL_ANIMAL_SUPPLIER        	JAX
#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           	1	A1	Cage #:1 | Organ:Stomach | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	1	A2	Cage #:1 | Organ:PSI | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	1	A3	Cage #:1 | Organ:MSI | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	1	A4	Cage #:1 | Organ:DSI | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	1	A5	Cage #:1 | Organ:Cecum | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	1	A6	Cage #:1 | Organ:Colon | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	2	A7	Cage #:1 | Organ:Stomach | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	2	A8	Cage #:1 | Organ:PSI | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	2	A9	Cage #:1 | Organ:MSI | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	2	A10	Cage #:1 | Organ:DSI | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	2	A11	Cage #:1 | Organ:Cecum | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	2	A12	Cage #:1 | Organ:Colon | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	3	A13	Cage #:1 | Organ:Stomach | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	3	A14	Cage #:1 | Organ:PSI | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	3	A15	Cage #:1 | Organ:MSI | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	3	A16	Cage #:1 | Organ:DSI | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	3	A17	Cage #:1 | Organ:Cecum | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	3	A18	Cage #:1 | Organ:Colon | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	4	A19	Cage #:2 | Organ:Stomach | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	4	A20	Cage #:2 | Organ:PSI | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	4	A21	Cage #:2 | Organ:MSI | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	4	A22	Cage #:2 | Organ:DSI | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	4	A23	Cage #:2 | Organ:Cecum | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	4	A24	Cage #:2 | Organ:Colon | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	5	A25	Cage #:2 | Organ:Stomach | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	5	A26	Cage #:2 | Organ:PSI | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	5	A27	Cage #:2 | Organ:MSI | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	5	A28	Cage #:2 | Organ:DSI | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	5	A29	Cage #:2 | Organ:Cecum | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	5	A30	Cage #:2 | Organ:Colon | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	6	A31	Cage #:2 | Organ:Stomach | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	6	A32	Cage #:2 | Organ:PSI | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	6	A33	Cage #:2 | Organ:MSI | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	6	A34	Cage #:2 | Organ:DSI | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	6	A35	Cage #:2 | Organ:Cecum | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	6	A36	Cage #:2 | Organ:Colon | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	1	A37	Cage #:1 | Organ:Liver | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	1	A38	Cage #:1 | Organ:Blood | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	2	A39	Cage #:1 | Organ:Liver | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	2	A40	Cage #:1 | Organ:Blood | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	3	A41	Cage #:1 | Organ:Liver | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	3	A42	Cage #:1 | Organ:Blood | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	4	A43	Cage #:2 | Organ:Liver | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	4	A44	Cage #:2 | Organ:Blood | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	5	A45	Cage #:2 | Organ:Liver | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	5	A46	Cage #:2 | Organ:Blood | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	6	A47	Cage #:2 | Organ:Liver | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	6	A48	Cage #:2 | Organ:Blood | Treatment:Amox	
SUBJECT_SAMPLE_FACTORS           	7	C1	Cage #:3 | Organ:Stomach | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	7	C2	Cage #:3 | Organ:PSI | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	7	C3	Cage #:3 | Organ:MSI | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	7	C4	Cage #:3 | Organ:DSI | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	7	C5	Cage #:3 | Organ:Cecum | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	7	C6	Cage #:3 | Organ:Colon | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	8	C7	Cage #:3 | Organ:Stomach | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	8	C8	Cage #:3 | Organ:PSI | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	8	C9	Cage #:3 | Organ:MSI | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	8	C10	Cage #:3 | Organ:DSI | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	8	C11	Cage #:3 | Organ:Cecum | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	8	C12	Cage #:3 | Organ:Colon | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	9	C13	Cage #:3 | Organ:Stomach | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	9	C14	Cage #:3 | Organ:PSI | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	9	C15	Cage #:3 | Organ:MSI | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	9	C16	Cage #:3 | Organ:DSI | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	9	C17	Cage #:3 | Organ:Cecum | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	9	C18	Cage #:3 | Organ:Colon | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	10	C19	Cage #:4 | Organ:Stomach | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	10	C20	Cage #:4 | Organ:PSI | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	10	C21	Cage #:4 | Organ:MSI | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	10	C22	Cage #:4 | Organ:DSI | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	10	C23	Cage #:4 | Organ:Cecum | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	10	C24	Cage #:4 | Organ:Colon | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	11	C25	Cage #:4 | Organ:Stomach | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	11	C26	Cage #:4 | Organ:PSI | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	11	C27	Cage #:4 | Organ:MSI | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	11	C28	Cage #:4 | Organ:DSI | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	11	C29	Cage #:4 | Organ:Cecum | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	11	C30	Cage #:4 | Organ:Colon | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	12	C31	Cage #:4 | Organ:Stomach | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	12	C32	Cage #:4 | Organ:PSI | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	12	C33	Cage #:4 | Organ:MSI | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	12	C34	Cage #:4 | Organ:DSI | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	12	C35	Cage #:4 | Organ:Cecum | Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	12	C36	Cage #:4 | Organ:Colon | Treatment:Control	
#COLLECTION
CO:COLLECTION_SUMMARY            	Lumenal contents collected from multiple GI sites and immediately flash frozen
CO:SAMPLE_TYPE                   	Intestine
#TREATMENT
TR:TREATMENT_SUMMARY             	Mice were treated for 24h with amoxicillin/vehicle in drinking water
TR:TREATMENT_COMPOUND            	Amoxicillin
TR:TREATMENT_ROUTE               	oral
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Samples were prepared using the automated MicroLab STAR® system from Hamilton
SP:SAMPLEPREP_SUMMARY            	Company. Several recovery standards were added prior to the first step in the
SP:SAMPLEPREP_SUMMARY            	extraction process for QC purposes. To remove protein, dissociate small
SP:SAMPLEPREP_SUMMARY            	molecules bound to protein or trapped in the precipitated protein matrix, and to
SP:SAMPLEPREP_SUMMARY            	recover chemically diverse metabolites, proteins were precipitated with methanol
SP:SAMPLEPREP_SUMMARY            	under vigorous shaking for 2 min (Glen Mills GenoGrinder 2000) followed by
SP:SAMPLEPREP_SUMMARY            	centrifugation. The resulting extract was divided into five fractions: two for
SP:SAMPLEPREP_SUMMARY            	analysis by two separate reverse phase (RP)/UPLC-MS/MS methods with positive ion
SP:SAMPLEPREP_SUMMARY            	mode electrospray ionization (ESI), one for analysis by RP/UPLC-MS/MS with
SP:SAMPLEPREP_SUMMARY            	negative ion mode ESI, one for analysis by HILIC/UPLC-MS/MS with negative ion
SP:SAMPLEPREP_SUMMARY            	mode ESI, and one sample was reserved for backup. Samples were placed briefly on
SP:SAMPLEPREP_SUMMARY            	a TurboVap® (Zymark) to remove the organic solvent. The sample extracts were
SP:SAMPLEPREP_SUMMARY            	stored overnight under nitrogen before preparation for analysis
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	HILIC (LC/MS Polar Neg)
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	Waters Acquity BEH Amide (150 x 2.1mm, 1.7um)
CH:SOLVENT_A                     	15% water/5% methanol/80% acetonitrile; 10 mM ammonium formate, (effective pH
CH:SOLVENT_A                     	10.16 with NH4OH)
CH:SOLVENT_B                     	50% water/50% acetonitrile; 10 mM ammonium formate, (effective pH 10.60 with
CH:SOLVENT_B                     	NH4OH)
CH:FLOW_GRADIENT                 	Linear gradient from 5% B to 50% B in 3.5 minutes, then linear gradient from 50%
CH:FLOW_GRADIENT                 	B to 95% B in 2 minutes.
CH:FLOW_RATE                     	0.50 mL/min
CH:COLUMN_TEMPERATURE            	40-50
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	Other
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Metabolon (LC/MS Polar)
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	normalized imputed data
MS_METABOLITE_DATA_START
Samples	A1	A2	A3	A4	A5	A6	A13	A14	A15	A16	A17	A18	A25	A26	A27	A28	A29	A30	C1	C2	C3	C4	C5	C6	C13	C14	C15	C16	C17	C25	C26	C27	C28	C29	C30	A7	A8	A9	A10	A11	A12	A19	A20	A21	A22	A23	A24	A31	A32	A33	A34	A35	A36	C7	C8	C9	C10	C11	C12	C19	C20	C21	C22	C23	C24	C31	C32	C33	C34	C35	C36
Factors	Cage #:1 | Organ:Stomach | Treatment:Amox	Cage #:1 | Organ:PSI | Treatment:Amox	Cage #:1 | Organ:MSI | Treatment:Amox	Cage #:1 | Organ:DSI | Treatment:Amox	Cage #:1 | Organ:Cecum | Treatment:Amox	Cage #:1 | Organ:Colon | Treatment:Amox	Cage #:1 | Organ:Stomach | Treatment:Amox	Cage #:1 | Organ:PSI | Treatment:Amox	Cage #:1 | Organ:MSI | Treatment:Amox	Cage #:1 | Organ:DSI | Treatment:Amox	Cage #:1 | Organ:Cecum | Treatment:Amox	Cage #:1 | Organ:Colon | Treatment:Amox	Cage #:2 | Organ:Stomach | Treatment:Amox	Cage #:2 | Organ:PSI | Treatment:Amox	Cage #:2 | Organ:MSI | Treatment:Amox	Cage #:2 | Organ:DSI | Treatment:Amox	Cage #:2 | Organ:Cecum | Treatment:Amox	Cage #:2 | Organ:Colon | Treatment:Amox	Cage #:3 | Organ:Stomach | Treatment:Control	Cage #:3 | Organ:PSI | Treatment:Control	Cage #:3 | Organ:MSI | Treatment:Control	Cage #:3 | Organ:DSI | Treatment:Control	Cage #:3 | Organ:Cecum | Treatment:Control	Cage #:3 | Organ:Colon | Treatment:Control	Cage #:3 | Organ:Stomach | Treatment:Control	Cage #:3 | Organ:PSI | Treatment:Control	Cage #:3 | Organ:MSI | Treatment:Control	Cage #:3 | Organ:DSI | Treatment:Control	Cage #:3 | Organ:Cecum | Treatment:Control	Cage #:4 | Organ:Stomach | Treatment:Control	Cage #:4 | Organ:PSI | Treatment:Control	Cage #:4 | Organ:MSI | Treatment:Control	Cage #:4 | Organ:DSI | Treatment:Control	Cage #:4 | Organ:Cecum | Treatment:Control	Cage #:4 | Organ:Colon | Treatment:Control	Cage #:1 | Organ:Stomach | Treatment:Amox	Cage #:1 | Organ:PSI | Treatment:Amox	Cage #:1 | Organ:MSI | Treatment:Amox	Cage #:1 | Organ:DSI | Treatment:Amox	Cage #:1 | Organ:Cecum | Treatment:Amox	Cage #:1 | Organ:Colon | Treatment:Amox	Cage #:2 | Organ:Stomach | Treatment:Amox	Cage #:2 | Organ:PSI | Treatment:Amox	Cage #:2 | Organ:MSI | Treatment:Amox	Cage #:2 | Organ:DSI | Treatment:Amox	Cage #:2 | Organ:Cecum | Treatment:Amox	Cage #:2 | Organ:Colon | Treatment:Amox	Cage #:2 | Organ:Stomach | Treatment:Amox	Cage #:2 | Organ:PSI | Treatment:Amox	Cage #:2 | Organ:MSI | Treatment:Amox	Cage #:2 | Organ:DSI | Treatment:Amox	Cage #:2 | Organ:Cecum | Treatment:Amox	Cage #:2 | Organ:Colon | Treatment:Amox	Cage #:3 | Organ:Stomach | Treatment:Control	Cage #:3 | Organ:PSI | Treatment:Control	Cage #:3 | Organ:MSI | Treatment:Control	Cage #:3 | Organ:DSI | Treatment:Control	Cage #:3 | Organ:Cecum | Treatment:Control	Cage #:3 | Organ:Colon | Treatment:Control	Cage #:4 | Organ:Stomach | Treatment:Control	Cage #:4 | Organ:PSI | Treatment:Control	Cage #:4 | Organ:MSI | Treatment:Control	Cage #:4 | Organ:DSI | Treatment:Control	Cage #:4 | Organ:Cecum | Treatment:Control	Cage #:4 | Organ:Colon | Treatment:Control	Cage #:4 | Organ:Stomach | Treatment:Control	Cage #:4 | Organ:PSI | Treatment:Control	Cage #:4 | Organ:MSI | Treatment:Control	Cage #:4 | Organ:DSI | Treatment:Control	Cage #:4 | Organ:Cecum | Treatment:Control	Cage #:4 | Organ:Colon | Treatment:Control
mevalonate	0.931712609	0.360874571	0.638193291	0.884350714	5.728796635	4.230554633	1.057865604	0.995731208	1.926414259	1.29309421	1	3.312733311	0.570722905	0.563910107	0.409868261	0.395939334	6.182375733	4.659355696	1.807747149	0.515363667	0.44759659	0.565218643	5.345513119	4.949792981	0.760411823	0.784394996	0.633406399	0.63872689	4.460531385	1.450120669	0.819479686	1.00895605	0.304505701	4.09770176	4.228889627	1.351774604	0.740137274	1.157389572	0.367871139	7.389294808	5.519413262	1.86064209	0.777258939	0.745358131	1.089531717	4.470654268	2.1125274	1.931221078	0.94570796	1.587244548	0.507087346	4.215073619	2.83173475	1.632917082	0.677730544	0.565331562	0.345212	3.868207683	4.209841692	0.363856969	0.662694564	0.318149009	0.61314292	5.471333998	4.255102402	0.168318388	0.855912764	0.857192516	0.705158862	4.499189638	5.270424001
alpha-ketoglutarate	0.607574945	2.930141464	2.26677252	0.332905942	0.324289248	0.569188887	0.639772671	1.083459719	3.801252749	1.498446058	0.346634363	0.490781915	0.71638985	4.207238564	5.732091496	0.867656151	0.766073979	0.822018011	1.332143054	3.553250926	3.664586968	1.419104692	2.839196793	2.392420018	1	0.583888149	3.742595134	1.333127679	1.217617748	0.462955691	0.817893693	2.291285162	1.2146595	3.309491379	0.673120959	0.276232421	0.954914808	1.684500805	1.481300277	0.386288545	0.195891852	0.464768678	9.527160684	3.018464534	0.802789925	0.717731135	0.501760966	0.754848539	5.750753512	3.11801026	1.72393842	0.417146973	0.519658768	2.664267817	0.582117308	2.013654862	1.651137011	12.6034212	2.597417497	0.740743711	3.468851247	0.359646945	0.937148882	0.691008555	0.324096273	0.267996907	1.026983415	1.625441468	0.907934455	1.253020508	0.410627561
uridine 3'-monophosphate (3'-UMP)	0.927168865	0.870154126	0.191588706	0.191588706	0.191588706	0.191588706	0.191588706	0.348566429	0.191588706	0.191588706	0.191588706	0.191588706	3.844267398	0.191588706	1	0.191588706	0.191588706	0.191588706	2.019753668	0.509397294	11.57735732	0.873569794	0.191588706	0.191588706	0.191588706	0.277367411	6.614391237	0.576919841	0.191588706	1.054406717	0.67831303	2.504576659	0.191588706	3.711544286	0.935270561	8.276618657	0.445660587	1.067455243	0.191588706	0.191588706	0.191588706	1.340346951	0.494077265	0.191588706	0.191588706	0.191588706	0.191588706	0.389470319	0.374722372	0.191588706	0.191588706	0.191588706	0.191588706	3.580739332	0.392726141	2.906683268	0.191588706	0.191588706	2.679692758	1.719115964	1.331782541	0.191588706	0.191588706	1.464303742	0.272319626	0.572536681	0.557065217	3.488625656	0.191588706	0.191588706	4.162496635
3-hydroxyisobutyrate	0.246380898	1.232633276	0.246380898	0.246380898	0.632023242	0.246380898	0.246380898	1.005176954	0.246380898	0.246380898	0.246380898	0.280929667	0.246380898	1.574063998	1.116357347	0.246380898	1	0.246380898	0.246380898	1.090530166	0.547742356	1.028017507	0.246380898	0.246380898	0.246380898	0.893903228	1.281781571	0.674735592	0.246380898	0.246380898	1.435656442	1.304064117	0.613795678	0.362704487	0.775375414	0.246380898	0.865119207	1.164165234	0.337564389	0.246380898	0.246380898	0.281545262	0.936234307	0.246380898	0.246380898	0.534834723	0.246380898	0.246380898	0.840831013	0.246380898	0.246380898	1.152385529	0.246380898	0.246380898	1.340342509	0.643842662	0.999612771	0.246380898	0.246380898	0.246380898	1.307864919	1.44457661	1.244174686	0.246380898	0.464202169	0.246380898	1.606924846	1.263643368	1.705511361	0.246380898	0.246380898
3-hydroxy-3-methylglutarate	4.622277836	0.652449641	0.279031814	0.677481108	12.75196255	8.220875094	2.747278568	0.679577675	0.611840874	0.96873736	4.516734177	2.020318699	2.867663815	1.440259466	0.475710019	0.671728757	9.190093808	6.669177253	7.386183886	0.618006559	0.704198655	1.147613569	4.201016552	1.874572014	1.744954532	0.900734178	0.511988032	0.767785822	4.279693497	0.856697886	0.893832306	0.730902123	0.595851505	4.88166165	1.446442393	0.600550827	0.873683338	0.545782245	0.508086431	4.189833437	1.938479029	4.367251034	0.629339948	0.446985912	1.215420129	6.698009875	3.863072849	6.089789351	0.787728044	0.533663473	0.511864491	7.619505192	4.310419419	1.45372264	0.607247852	0.527990372	0.9432228	2.797147884	1.256887042	1.913987443	0.617541183	1	0.951856152	5.188176937	3.133659076	0.286103892	0.992223688	0.701725294	0.779107031	4.207817345	2.020609915
hypoxanthine	0.876188804	4.785628177	0.702504055	0.034915418	0.67499757	0.939863415	0.652647525	6.382259577	0.026315793	0.017739232	0.1278443	0.287194225	0.497273458	6.037645921	1.282001066	0.094343742	0.561038357	0.856318354	1.073294547	2.358568155	0.97778808	1.132598313	4.212297457	2.230282347	0.84569885	7.805637627	1	0.910293374	3.837500995	0.93104216	5.067466215	3.662676147	1.539195602	3.607813907	1.650386979	1.018207657	3.623436801	1.856516263	0.134782182	3.986429458	1.898259623	0.859714009	2.260657765	0.345651649	0.041731807	0.306968129	0.356875514	0.478324058	3.981104126	0.080073078	0.118148035	0.318835832	0.281611069	0.657335628	2.747666179	0.382576266	0.48803901	4.891185411	2.158286636	0.467487345	1.15429883	6.956305386	1.17103692	3.79851199	1.603774019	0.318206611	5.168670242	1.732145478	0.538441605	5.322417842	2.591059273
allantoic acid	1.116742539	0.453385867	0.66694531	0.211873386	14.4302656	11.99207199	0.235437354	0.211873386	0.211873386	0.256756205	4.350637596	0.883257461	0.211873386	0.211873386	0.211873386	0.211873386	1.326429376	1.125957281	0.211873386	0.211873386	0.247793485	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	1.156687875	0.378908323	0.337915857	0.352380445	3.077810612	1.888060059	1.637316863	0.366976369	1.219867068	0.350018192	2.535198644	1.809079857	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.319919424	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386	0.211873386
phenylpyruvate	1.26550559	0.499128441	1.890934929	0.591041405	0.177025194	0.666010493	0.756405743	0.27935393	2.230237511	1.457692902	0.177025194	0.244330574	0.906629429	0.177025194	0.760866579	0.829238867	0.177025194	0.567835615	0.641988957	0.721609937	1.275859108	3.565695358	3.991252211	3.37403828	0.96802066	0.238955246	4.086299353	3.327175892	2.434581566	0.586432448	0.406066994	1.264174638	2.824683577	2.430599444	2.380362448	0.980145203	0.311006972	0.956883598	1.638077676	0.910379708	0.562372272	1.056071717	0.815311099	2.562026653	0.888193598	0.294247712	0.293122843	1.073277491	0.740923767	2.586009549	1.559165107	0.20706392	0.434306789	1.364852565	0.518017225	3.75307407	3.680041302	11.982586	4.002889454	0.467449638	1.379731319	0.677617682	3.019470539	1.394242989	1.105802092	0.211949802	0.244493723	1.828092531	2.5792174	2.524845867	1.019854797
succinate	0.587224458	0.888018793	0.952649206	0.170533983	0.444661448	0.318094373	0.693838461	0.403539811	1.210799412	0.676331725	0.093447405	0.19533047	0.391094065	0.335110509	1.963578326	0.363910393	0.220076442	0.260243949	1.339321427	1.821004991	2.879679461	4.169267543	1.366282321	1.082351792	3.54088427	0.056914308	3.280012946	3.678339396	1.3750784	2.260300153	0.103580035	1.507940675	2.715351809	1.103708743	2.099557287	0.874352676	1.038498794	1.978975427	1.143934049	3.05946354	1	0.611260065	2.874454802	1.443260841	0.517194339	0.326548263	0.31176801	0.443329222	1.236768687	0.963241448	0.565729692	0.184707795	0.21814349	5.166205061	0.582248349	3.297173588	2.693127339	0.819162286	0.786282787	2.159163252	2.347659353	0.173194342	1.754759435	0.805801154	1.654675398	1.010234053	0.389889952	2.561821799	2.797331425	1.090843711	0.55307733
3-hydroxybutyrate (BHBA)	0.241785903	1.481433933	0.688839293	0.222956991	1.571270108	0.924308999	0.155266077	2.223939137	0.738023731	0.705217291	0.232650859	0.673207052	0.151602564	0.760094812	0.739210614	0.151602564	0.597833048	0.463364131	0.151602564	0.818398469	0.424515467	0.9185269	5.420656613	1.51629368	0.151602564	1.950365535	1.306448781	1.066711241	3.905179904	0.232967361	2.18917434	1.243581558	1.348110358	3.970129118	1.446333842	0.223141947	2.36364023	1.61897391	0.962208157	0.749152739	0.790209994	0.151602564	1.023506716	0.34914443	0.151602564	0.611109325	0.321549397	0.151602564	3.148825752	1.104501601	0.528377635	0.63003121	0.539737095	0.151602564	1.024859762	0.685553604	0.873002018	1.623116132	1.552365038	0.151602564	1.920026824	0.976493284	1.36940502	8.433352802	6.667660352	0.151602564	2.723148128	1.634225358	1.740703614	5.048855573	1.377435274
glucose 6-phosphate	0.259784468	13.93068877	0.491032104	0.0165166	0.101910886	0.06298132	0.110833056	15.55382375	0.039812468	0.0165166	0.089124041	0.0165166	0.216607487	2.874842359	6.459556404	0.035488278	0.244966496	0.617554179	2.242493917	20.36720728	4.922873611	0.127819897	0.077831469	0.230083605	0.912158539	5.20713943	0.780075984	0.153384554	0.036349729	1.124650706	5.37041204	1.460533016	0.11670289	14.07420559	2.323443771	1.146361979	14.43116804	3.075210988	0.0165166	0.0165166	0.0165166	5.352982054	9.576435422	0.059995032	0.0165166	0.0165166	0.0165166	2.665949544	11.89497468	0.03282828	0.0165166	0.0165166	0.0165166	0.633657554	11.58294034	0.279656549	0.107577494	0.0165166	1.046250205	1.762809143	14.02553079	1	0.094523633	30.52223853	4.575194617	1.100475322	3.546210124	0.641168435	0.018106276	0.025254173	1.372794861
fumarate	0.540027778	5.187311408	1.198285247	0.203469151	0.373557703	0.273774822	0.294577833	9.088394097	0.994027965	0.858695408	0.093303133	0.093303133	0.730840845	8.668751082	3.454839328	0.812120619	0.167294414	0.222827255	1.972195785	4.945898851	3.793922511	3.432604889	0.909594345	1.404197551	0.152882876	8.175788891	3.953104885	3.828547944	1.074383496	0.176270967	9.267781644	7.38444961	4.524627508	0.574578415	1.593545889	0.301753208	6.228046574	2.164402222	0.971419283	0.277207764	0.300331559	1.052219096	3.788832961	1.078136237	0.297247488	0.230254768	0.141377802	0.442946267	5.152867811	0.784574358	1.005972035	0.117011815	0.179403404	0.348849717	7.88501005	3.678996785	1.639312989	0.673217158	1.079147434	0.103585573	3.456998098	3.406484241	2.743152022	0.331662013	0.798839476	0.10071426	8.349367473	3.147409039	3.705484541	0.304251071	0.648476399
gluconate	0.268474642	0.95208014	0.847222894	2.676472454	1.671030782	0.987981097	0.506932503	1.385572832	2.101634428	2.188838225	1.30860834	4.555840169	0.393990727	1.688350511	3.234506721	4.954797757	5.784014879	3.671698814	0.711564635	3.315189676	4.61002096	0.972798028	0.427598745	0.270911157	0.071644218	1	2.168028871	1.80610571	0.419427027	0.089006267	0.549394992	0.970571176	0.848040228	0.901549269	0.20442747	0.035242206	0.589083668	0.934847802	1.058426399	0.218135035	0.09782018	1.258311542	2.398683822	1.682996933	3.334541527	7.134762643	4.639399873	1.148826596	1.758698764	1.505429635	1.451353269	5.863396836	3.918496706	0.090750341	1.087962255	1.132976911	3.5900702	0.355175855	0.14347692	0.211632654	1.053105106	0.852433671	0.964266255	1.276130543	0.210799631	0.045347724	0.921598024	2.371729648	0.759674263	0.457568915	0.201815938
glutarate (C5-DC)	1.148230441	0.823943437	0.682565632	0.521127953	0.735680432	0.633056904	0.923609546	1.477532963	0.522783668	0.561935933	0.177262618	0.728043915	2.698685213	2.996529156	0.537284914	0.781822759	0.675010472	0.899149825	3.491051335	1.443026814	1.272008857	1.062735755	15.84756651	4.748007041	13.73216341	3.213880738	0.609289813	0.935984529	13.21909855	20.09865905	2.892957935	0.870822371	0.766749819	10.89308547	7.961228131	3.605308841	2.720440381	0.809083783	0.622942313	19.95936353	6.069731315	1.015768868	0.876189701	0.627537856	0.565852039	1.017466361	0.561797407	1.539388089	0.691633584	0.391104876	0.433366279	0.855967114	0.177262618	8.519933991	2.199593877	0.83171848	0.984231132	12.38344197	3.489593514	6.207986789	0.940217266	0.926410848	0.981552964	16.5773277	10.96875141	1.869974725	2.340298842	0.862891212	0.759619032	12.60753295	4.633881464
myo-inositol	0.691364698	3.065411983	1	0.155340365	1.232694661	1.617249765	1.008205171	3.433580052	1.002436091	0.574527265	0.207209734	0.77188728	0.473710568	3.939027304	1.993976569	0.563379415	1.216040438	2.087373296	0.750509671	2.761055394	1.606812971	2.274134936	0.102138737	0.474376169	0.488807477	3.313855864	1.282302707	1.32452768	0.105110762	0.27387087	2.848350114	2.344345509	1.662749437	0.156093653	1.257070873	0.798560755	4.148177666	3.0452422	0.838265827	0.119509854	0.632035996	0.709689744	2.391434308	1.032410138	0.192939454	0.440754781	0.571110365	1.308586425	3.225502263	0.512964272	0.658619922	0.564285223	1.153852214	0.363026687	2.978050768	1.849220082	0.966470174	0.097495788	0.388016603	0.71445783	2.544276669	2.618105286	1.575571196	0.149897467	0.640342293	0.989412598	3.462120361	1.599574515	1.067871027	0.155835728	0.913282892
inositol 1-phosphate (I1P)	0.038339319	2.918872117	0.042733562	0.038339319	0.038339319	0.038339319	0.038339319	1.990767951	0.038339319	0.038339319	0.038339319	0.038339319	0.038339319	1.261641933	1.249780436	0.038339319	0.038339319	0.038339319	0.081085892	2.063432039	4.294213144	0.075382249	0.038339319	0.038339319	0.038339319	2.504736969	0.315381208	0.104163057	0.038339319	0.038339319	1.742121266	5.173047386	0.038339319	0.038339319	0.09166401	0.110472313	1.985594219	1.954588494	0.038339319	0.038339319	0.038339319	0.074612221	0.688307472	0.038339319	0.038339319	0.038339319	0.038339319	0.038339319	0.806904697	0.038339319	0.038339319	0.038339319	0.038339319	0.038339319	1.234700437	0.227004304	0.038339319	0.038339319	0.038339319	0.038339319	1.193095303	2.045748615	0.038339319	0.11780709	0.038339319	0.094169261	1.891212048	0.34100029	0.038339319	0.038339319	0.038339319
2-aminoadipate	0.323381535	0.323381535	0.323381535	0.353638612	0.620053437	0.723303907	0.492359005	1.08109023	0.323381535	1.059223354	0.323381535	0.323381535	0.323381535	1.373113446	0.323381535	0.57745252	1.446522061	1.145084128	0.323381535	0.906146194	0.323381535	0.711921397	0.987525274	1.027273794	1.70445642	1.115698115	0.323381535	0.753127708	1.012474726	1.213514587	1.388851278	0.323381535	0.924754477	1.53935135	1.094359294	1.515047299	1.587918833	0.323381535	0.564336908	1.681420602	1.312581239	0.323381535	0.474120812	0.323381535	0.53746931	1.121727867	0.468054954	0.85518667	1.030469201	0.323381535	0.637768089	0.561240793	0.524868212	1.300869259	1.514221368	0.348854528	0.672394028	1.255239926	0.846268414	0.893955806	1.812436814	0.494985738	0.857655438	1.489434395	0.909093371	1.542844635	2.217084597	0.323381535	0.323381535	1.01822014	0.877459741
3-sulfo-alanine	0.19691447	1.207384379	0.665504973	0.389925061	1.045201597	0.690507665	0.171331236	1.106773825	0.60213522	0.446009865	0.2571712	0.552789646	0.059872299	0.869162797	1.005680785	0.54452323	0.750963713	0.545698059	0.19956929	0.819502897	0.737330379	0.606259035	3.291830493	1.558905265	1	1.589100756	0.847632815	0.902283906	3.242189838	1.807026065	1.51537702	1.22913338	0.874235548	4.16121231	1.288141511	0.374347578	1.489290223	1.418635063	1.441092903	2.53008117	1.403841563	0.647518265	1.155516863	0.825540621	0.66030026	2.595772173	1.771024699	0.435490012	0.905063358	0.485383595	0.397010234	1.256749655	0.703479355	0.303421163	1.40587827	0.958160687	0.889413479	4.143906948	1.21343035	0.298119769	1.026187602	1.504190025	1.06847137	4.059742628	1.585637668	0.150844122	1.281288188	1.38978256	1.059985475	4.261972238	2.05412141
methylmalonate (MMA)	0.151261389	0.151261389	0.570809873	0.884291502	0.441043041	0.151261389	0.438082981	2.540571635	1.561700572	1.299758691	0.296397912	0.968735101	0.65396844	6.65173377	1.335667452	0.732702517	1.031264899	0.638002057	0.685807606	2.901597516	0.151261389	0.151261389	0.417910506	0.151261389	0.151261389	1.910030176	0.151261389	0.151261389	0.151261389	0.151261389	2.925393042	1.718269789	0.151261389	0.151261389	0.151261389	0.151261389	1.220601469	0.151261389	0.151261389	0.318674408	0.151261389	0.477852689	2.559597525	1.835650389	1.162047667	1.100639104	0.632705929	0.516263266	2.68255895	2.259007171	0.856855375	1.258854098	0.83669265	0.151261389	1.538525138	0.151261389	0.151261389	0.151261389	0.308608645	0.863588634	2.640535073	1.428566136	2.50422218	0.401261633	0.151261389	0.922007888	1.546902223	0.151261389	0.151261389	0.384499661	0.151261389
orotate	0.335045908	0.569131294	0.867220076	1.449184873	0.458909993	0.692309922	0.757782504	1.010682793	2.033670869	1.998441386	0.576303767	1.989872943	0.564428428	0.809958224	1.221269572	2.223448781	3.164573774	2.624830602	0.602463612	0.549882514	0.321121081	0.615817963	3.58881395	1.003037135	0.485654072	0.871840884	1.05329063	0.444238289	2.756570795	1.096991758	0.595830168	0.869832179	0.840901519	5.537632755	1	0.485184326	0.712196495	1.641710996	1.475861635	0.325621996	0.294307719	1.516809638	1.356047391	1.99808662	3.059793371	7.049493352	4.203315051	0.956859521	1.056666316	2.30311595	1.520965122	3.548442811	2.192075049	0.76899892	0.877604118	0.740601884	0.749658255	2.342285207	1.880650589	0.104902262	0.251173628	0.473214645	1.25467019	2.858929745	1.472584714	0.085938475	0.523336947	0.318742378	4.184710944	4.844494389	0.976461593
lactate	0.705910197	2.490496946	0.860500456	0.257241403	0.61737942	0.443508975	0.557786841	3.094306625	0.869097147	0.594174628	0.077696653	0.336748713	1	5.086048739	1.427401205	0.529411211	0.514745867	0.517908673	3.334714968	3.91391045	3.6369668	2.956481354	0.820008576	1.293827346	4.409002164	3.671069073	4.819320005	7.325463919	0.44553396	2.156506087	2.895567979	4.651486422	2.803798259	0.530430371	1.728123517	0.671004003	3.003502108	1.718803781	0.982138179	0.094909365	0.299131291	0.989991113	3.10321817	1.057831624	0.491956868	0.57090129	0.445317941	0.569487156	2.752563453	0.771447649	0.59489415	0.290916652	0.392420577	6.62944747	3.81826111	2.864158017	1.825342338	0.49071255	0.955219433	3.688354293	3.565154525	3.294450586	4.189821308	0.409123875	1.629438864	0.726363638	3.263184621	3.229549793	3.332765162	0.221178282	0.545196537
salicylate	1.470017995	0.70426512	0.725234924	0.950938399	1.248488062	1.251154619	0.511480671	0.809999436	0.997632097	1.049185024	0.636488861	0.906141766	3.701913978	0.698973147	0.555126875	0.502458566	0.746954411	0.642809363	19.71144197	1.294680447	1	1.315368358	2.242684111	1.216573185	1.181539198	0.677148521	0.800255075	1.404766585	2.236605884	1.176641875	0.874883624	0.532697321	0.466793747	1.640954963	1.209976885	4.134101911	0.887864423	1.103666592	0.885761652	2.316366412	1.212033943	13.29422637	0.35785042	0.293341074	0.637540246	1.100952799	0.392704605	2.980931832	0.819312577	0.48482272	0.532930455	0.594345071	0.449381892	2.611126095	0.852240746	0.927580884	1.261881797	1.789668082	1.001430798	2.808518354	1.197735103	1.203263256	1.849022593	3.284734952	1.724785418	1.074049525	0.745025348	0.89049441	0.867411169	1.818247478	0.743015525
glucose	3.574055326	1.266443354	0.882532651	0.053634303	1.185511692	1.201099017	2.332502164	0.489269246	0.379703964	0.071481748	0.319383242	0.540668659	0.89854485	2.576373609	3.48937332	0.060862502	0.75369214	0.712896088	2.162924646	4.707343711	3.601013125	0.651992066	2.229596513	0.920111055	1	0.979276637	2.040473478	3.226587128	1.94643853	1.781214426	0.273032768	0.548094904	0.493530442	2.10455316	1.107287907	2.810649598	0.431313446	0.456285493	0.818381329	1.295505254	0.627241997	5.494452306	1.416023518	0.506891442	0.137807441	1.010215719	0.803211184	3.169388494	2.917477933	0.254569442	0.056683297	1.359815356	1.030013572	1.831903227	1.585719511	2.243242025	0.913060408	1.413899793	0.842446992	0.679340444	2.823751004	0.592788494	0.528533751	3.025463078	1.918329134	0.13175799	1.004790258	0.891035845	0.832066191	1.537579816	0.796362933
mannose	1.568193743	0.972303441	0.42162123	0.135058928	0.680819113	2.086801513	1.317152715	1.461557488	0.218761649	0.135058928	0.39277985	0.850498298	0.480173207	1.846901296	0.584952661	0.135058928	0.842724817	1.07625608	0.830546953	1.027696559	0.707321382	0.135058928	3.942999186	1.721516818	0.135058928	1.788988864	0.538246409	0.410952128	2.778217294	0.135058928	1.477072648	1.320308042	0.253537375	2.934522558	1.075552933	0.358749671	1.042020964	0.824522505	0.135058928	0.945025591	0.626910024	0.683546898	0.718502828	0.298324992	0.135058928	1.240735866	1.419123116	2.646432061	1.157672691	0.135058928	0.135058928	1.681274922	2.45324163	0.135058928	0.710349506	0.744978596	0.135058928	2.240015052	0.799620866	0.363569229	0.56732276	1.65870356	0.185848025	2.495958673	1.420541776	0.135058928	1.503555484	0.54219675	0.135058928	3.256160925	1.146752717
malonate	0.8777761	0.139294614	0.994348627	3.97198201	2.759500077	1.375031275	1	0.846757791	2.81099887	1.806989375	1.818769437	3.352955343	1.456880439	0.956250339	2.551487597	3.077108162	5.224333461	3.118285222	2.905718284	2.215840976	4.184633736	1.413862199	0.277046675	0.196082801	0.481790975	0.210593368	2.9077014	3.245327146	0.331457917	0.274979768	0.130773837	0.419678289	0.786216775	0.238765922	0.193738487	0.153875	0.133851047	0.372774787	2.029389622	0.227085229	0.165071912	1.594826029	1.116799209	1.957332587	4.041696336	6.114387984	3.721806119	1.083683097	0.550487968	1.299251005	1.672944061	5.023221056	2.639467229	0.611677309	0.298475801	1.516000486	4.375093586	0.238446815	0.199844699	0.98145169	0.689510166	0.603864434	1.663210294	0.333613214	0.264294929	0.147375697	0.411720224	3.03647919	1.628910527	0.267945222	0.227390407
pyruvate	0.585638581	0.254447491	0.478951866	2.862801304	5.101907256	3.435075009	0.875436834	0.276552645	1.151071866	3.145263019	1.698427318	3.685261326	0.100328674	0.0869613	0.27450386	1.329982488	6.867095573	3.357375082	0.323175474	0.419372857	0.717680345	0.945460841	2.909025116	2.638972885	0.908313879	0.168327623	0.789637304	1.299556367	3.801570965	1	0.225217797	0.902128495	0.634167824	3.308230767	2.882054331	0.685375599	0.22975591	0.283983786	0.795722778	2.552410914	2.273446059	1.442529879	0.736827217	0.859556717	4.408322465	6.474065316	4.114557149	2.815123172	1.237416532	2.472566973	2.066509037	6.500244624	4.505788709	0.69231874	0.234116682	0.55617441	0.958184105	2.408517915	2.43989131	0.242583456	0.225663959	0.18681259	0.916641403	3.028910606	1.869053815	0.133788633	0.092801057	0.572761705	1.191356323	2.35148256	2.867573582
xylose	2.222983398	0.079932309	0.079932309	0.079932309	0.079932309	0.079932309	0.079932309	0.079932309	0.079932309	0.079932309	0.079932309	0.079932309	0.079932309	0.079932309	0.079932309	0.079932309	0.079932309	0.079932309	0.079932309	0.079932309	0.17061313	0.272656352	2.578386175	1.473649442	0.444358729	0.079932309	0.123835782	0.079932309	1.567091682	0.079932309	0.079932309	0.079932309	0.079932309	1.981821787	0.764326459	0.911301013	0.079932309	0.289347647	0.079932309	0.842540419	0.53235799	1.057072233	0.079932309	0.079932309	0.079932309	4.608318484	0.079932309	0.079932309	0.079932309	0.079932309	0.079932309	0.079932309	0.079932309	1.394260398	0.160020535	0.079932309	0.124741949	1.205937351	1	0.079932309	0.083120735	0.079932309	0.079932309	1.794270177	3.84451193	0.079932309	0.079932309	0.079932309	0.079932309	1.95479106	1.299833761
arabinose	3.643128083	0.804052363	3.303322316	1.201149724	14.11529279	12.24675758	4.274950556	0.615200414	3.259429784	3.869479693	1.895242394	8.590171767	0.040592163	0.040592163	0.097607665	0.128680753	11.95081938	9.819927523	1.664364903	0.10530116	0.545347077	0.573741956	1.010085234	0.863729634	0.466204519	0.040592163	0.243790027	0.57393184	0.844465123	0.749911223	0.040592163	0.040592163	0.669168829	0.77637777	1.773743024	0.72047979	0.056087042	0.40473537	0.607966936	0.684573595	0.655100548	1.609450972	1.032507186	1.197020771	1.442431389	7.078407373	4.345096837	5.826803324	1.891508827	4.489879522	2.387113543	12.35458231	8.067131253	1.7368946	0.155884745	0.42667131	0.292249232	0.650105608	1.016718029	0.744829971	0.464373801	0.575222292	1.213996294	1.322145819	3.415073475	0.078722305	0.040592163	0.12771222	0.379816873	1.199999425	0.989914766
fructose	8.839253267	1.10197884	0.408001518	0.435640996	11.79395128	13.26889511	8.303855161	0.733310164	1.406973423	0.411536924	1.994429703	5.940774207	4.683531805	6.256024566	1.629823065	0.438088286	9.141969004	8.339121124	8.991922391	3.359711088	5.825954835	0.956717416	2.867822095	0.584050595	0.090156721	0.81409593	2.302919033	3.627405785	2.669890675	0.106584935	0.479906174	0.497637416	0.405438058	1.759896377	0.403897853	1	0.384893594	0.60211195	0.58830044	1.945093753	0.652080052	10.83408956	1.770035983	0.463568959	0.492623761	15.627763	10.42922847	14.48509215	1.112325614	0.510434384	0.298986717	14.97801795	11.85268529	0.167376103	0.593710037	0.753607769	1.852383253	2.097109428	0.552894105	0.541776745	0.666730882	0.793115833	0.705203107	1.954119106	0.933342304	0.227003647	0.789748872	1.292167605	0.553536906	3.077011246	0.727968332
ribose	0.886454665	5.85171036	0.900403115	0.234335105	1.895908969	1.868111176	0.451309655	7.165575488	0.72728286	0.451206633	0.238442463	0.852858974	0.058842614	7.765954684	1.57020525	0.258584936	0.026681411	0.91731061	0.258689465	4.667796504	0.670838088	1.096659831	3.557417765	1.92055101	0.201431355	8.194017023	0.844431284	0.465484334	3.206647865	0.512312435	8.729655398	2.196567592	1.279185589	0.026681411	0.833328915	0.789076385	8.529744985	2.399238233	0.655518711	5.345193412	2.039974973	0.303548986	4.980326854	0.731286291	0.253249437	0.674647222	0.414169015	1	6.290835606	0.710276258	0.556524298	1.776361197	1.205585103	0.127297379	7.472088641	1.153322396	0.511830457	5.986826029	2.086581365	0.056455014	4.432398637	2.585952082	0.683731307	2.188129961	0.907040256	0.026681411	8.668059182	1.42616696	0.3408538	6.091681899	1.88513796
fucose	2.147785683	1.501266316	1.589177611	0.337255621	10.94105555	9.220539709	3.39802522	1.830469383	1.912747905	2.125900229	1.397743636	7.893110786	0.585143738	1.231471042	0.626154143	0.265033839	11.20056349	7.118250791	0.264240628	0.700735483	0.707439796	1.018971409	0.563359199	0.275346663	0.395420429	1.105102049	0.451668944	0.626184526	0.281278382	0.414997868	1.010913972	0.873835006	0.677940712	0.087020967	2.07361614	1.172336152	1.157075798	0.654584942	0.435784112	0.756271627	1.076301772	2.163601068	1.162505114	0.74930906	0.646392953	10.76822296	6.430174669	5.473579898	1.799834196	2.62711229	1.067982282	12.0295886	7.272256831	1.322729882	0.989086028	0.763562981	0.477950695	0.514336389	1.143489758	0.53313201	0.768949435	0.875779511	0.924368822	0.087020967	2.914003913	0.295119964	1.578109554	0.808586642	0.542278349	0.781276755	0.619607171
dihydroorotate	1.486250135	1.382367845	2.186012561	0.52107949	1.254898977	0.725061547	1.179941863	0.792813924	4.344935941	1.434400144	0.101083079	0.871832047	0.249481428	0.616055984	0.929090974	0.710340571	3.485647228	2.339844249	0.634786291	1	1.253051498	1.876681141	0.560663198	0.506928405	1.24096178	1.208798134	1.936635923	1.433359411	0.500874933	0.506938453	0.797558227	2.63800323	2.426259465	0.577065135	0.439710031	0.358673605	1.13207967	2.639427238	1.528796698	0.305975238	0.241191459	0.834486273	0.95804773	4.158456846	1.510488426	4.167521981	2.426659968	0.991420061	0.864055984	1.342963574	1.630113763	1.925327113	1.404332317	0.843402117	1.365061547	3.107883007	2.71178037	0.60355428	0.480475148	0.396896465	0.998886058	1.495273641	2.210414498	0.484909385	0.338047012	0.356567737	0.766564507	2.410757581	2.247062623	0.809883366	0.277401758
stachyose	1.712330586	0.330109664	1.832200762	4.858592599	5.42950329	4.527510445	1.491247345	0.517905942	2.749628641	2.943721242	1.665230345	5.080949753	1	0.485430654	1.903285988	4.631060058	4.82947681	4.082145646	2.409040214	2.943683885	4.137126853	0.263381169	0.064917752	0.068338615	0.358084185	0.069795757	1.687200414	1.295299787	0.082141359	0.602528009	0.021074741	0.060365666	0.026960388	0.078421524	0.163492356	0.939414973	0.025179408	0.269256773	2.255898017	0.057006411	0.036302172	4.533292964	1.581030835	2.307950363	5.206138372	7.027714129	5.353694997	3.143348952	1.339188605	2.773784485	2.322102911	6.455182294	4.71647163	0.964851344	0.136118844	1.513492626	3.813979679	0.084679142	0.102150648	0.83461386	0.527318274	0.152588342	0.087447064	0.116392728	0.336050794	0.021683833	0.170743899	1.863634604	0.195681409	0.062978284	0.074257576
sucrose	58.92932642	0.111046644	0.898010492	2.478694172	4.951295446	10.49048112	17.95776212	0.09942863	0.893109615	1.211730305	0.377757788	1.961443875	137.121196	0.952882698	0.730373399	1.919372218	2.530820079	3.681678331	258.726296	1.407057127	1.975721914	0.975241086	0.532864445	0.304184107	2.015698615	0.09942863	1.842554473	2.038720541	0.459592947	1.573695074	0.09942863	0.209857357	0.460998166	0.551833323	0.258520581	3.891605701	0.09942863	0.185086473	1.078109364	0.74701741	0.539390516	106.5095873	0.649773171	0.878663547	2.567419015	3.138795771	2.495170152	21.802772	0.265459952	0.921968328	1.024758914	2.604790799	2.075891773	1.788261338	0.122649753	1.354876113	12.07094211	0.601536798	0.305841823	44.81136299	0.403030504	0.309687995	0.765437028	0.637113099	0.378479143	3.057167939	0.190313473	1.338840534	0.610889116	0.652128302	0.33248046
allantoin	0.250384124	0.813815685	0.8907405	1.147082221	1.037238674	0.636313547	0.497334584	1.58486412	2.386532949	1.447850973	0.156040829	0.860775876	0.546174642	1.133485288	1.53795314	1.342249793	0.788104662	0.576689821	0.480854628	1.296549496	1.677741062	0.867038995	0.004125446	0.008868088	0.087721256	1.073944992	0.88037197	1.403723398	0.001890376	0.044474833	1.001172364	1.35177724	1.035498881	0.00621741	0.026929865	0.159925344	1.308759276	1.73312618	1.144358024	0.00696007	0.019056902	0.676179789	0.896902034	1.104873087	1.383458162	1.98213161	1.327218034	1.146945009	1.740279466	1.688210536	1.262024809	1.803279912	1.242069154	0.088519791	1.114887054	1.204795493	2.334218431	0.003925268	0.006982326	0.290668707	0.967598375	1.26825606	1.732465839	0.009240806	0.019423981	0.075556587	0.998827636	1.507052726	1.036975144	0.001890376	0.014439639
glucarate (saccharate)	0.072442918	0.756318661	0.938732098	3.664712205	30.43347005	10.8830422	0.097914147	1	1.265976092	1.108017439	9.291964872	20.92440341	0.492203055	1.473719105	4.69067058	3.838511431	99.94926208	18.47802258	1.388361261	4.75361033	12.65589553	0.450791061	0.041832806	0.10026109	0.026390244	0.459917641	1.54072567	1.996281444	0.100584818	0.026390244	0.193141729	0.425806289	0.260867612	0.026390244	0.0908861	0.026390244	0.147217233	0.445826998	0.703924782	0.078082078	0.05611278	3.298409033	1.451515563	1.491235671	2.912790306	91.31756221	15.33243297	1.526137514	1.882315628	1.373470453	1.087456032	47.82739135	12.62693585	0.037618466	0.234909928	1.135185045	3.414384935	0.075017888	0.026390244	0.258289879	0.859095641	0.29266588	0.705260809	0.026390244	0.03543045	0.026390244	0.773986898	2.434171399	0.491363849	0.068687049	0.034545293
glycerate	0.472864272	2.099588962	0.394239326	0.207541423	0.591983539	0.442387995	0.552422371	2.14969719	0.758213573	0.447789561	0.179664191	0.456501942	0.591552634	2.511732233	1.50792692	0.33001757	0.538358245	0.484870779	0.845033652	1.88548882	1.187726955	1.036608398	1.812600485	1.419936964	0.472848839	2.182706355	1.565979235	1.489570877	1.046211611	0.185480993	1.897175178	1.542386944	1.447659574	0.969469647	1.142622924	0.575628735	2.03061095	1.32969983	0.34766632	1.550737719	1.08572195	0.940439018	1.866018102	0.503208286	0.247309915	0.74304353	0.458969797	0.816553823	1.894169025	0.519437868	0.47114683	0.764562482	0.472296181	0.352565756	2.632553116	1.580587549	0.900233953	1.44774957	1.232495194	0.387832769	1.513577135	1.412362219	1.00796981	2.180794182	1.816327662	0.161336999	1.835470011	2.162948227	1.239711489	0.896907429	1
N-carbamoylaspartate	0.287986598	0.218712267	0.218712267	0.218712267	0.904629725	1.415115777	0.322490098	0.607268725	0.218712267	0.218712267	0.218712267	0.218712267	0.218712267	0.386364345	0.218712267	0.218712267	0.480847973	1.039827839	0.218712267	0.218712267	3.267370935	2.631337412	4.678405461	1.436092336	0.7479293	1.134097602	0.996128158	3.608850433	17.97128867	0.653222896	0.465226942	4.25792079	0.958470155	11.38898864	2.079718055	0.218712267	0.218712267	0.218712267	0.218712267	0.800807339	0.389100031	0.218712267	0.218712267	0.218712267	0.218712267	0.218712267	0.218712267	0.218712267	0.33378037	0.218712267	0.218712267	0.218712267	0.218712267	0.566678994	0.391791161	4.64528317	2.510993981	3.94581204	0.770376179	0.454284199	0.485107445	0.570653312	1.793451286	4.775990127	0.236186793	0.218712267	1.003871842	2.122998917	2.858978529	6.007173377	2.765688978
N-acetylalanine	0.085367955	3.256477079	1.060419868	0.280918244	1	0.596596236	0.232168725	3.31159438	1.233856167	0.393780158	0.558891451	1.125637136	0.048752253	2.468252673	2.245732157	0.52655011	1.827883233	1.258668751	0.108693842	2.200098634	1.816589444	1.692734655	0.34920528	0.158130056	0.063449977	2.720745533	1.604791247	1.903644882	0.27038896	0.089827883	2.744032169	2.828925068	2.095148485	0.341088731	0.176594362	0.060171752	2.833077186	2.374727734	0.799800095	0.349174679	0.174352912	0.382076229	2.608650408	1.206390606	0.545400157	3.53818235	1.740716202	0.41433462	2.680921296	0.722328849	0.413294458	1.716749522	0.938455633	0.077956748	2.973238924	2.252817031	1.341425999	0.401505743	0.16667939	0.069322709	1.966906926	2.96398992	1.954533234	0.284514193	0.164605269	0.017743582	2.940828138	2.271902055	1.262601927	0.462800648	0.177725552
4-acetamidobutanoate	0.537240771	1.429948509	0.530375242	0.485749303	1.448650252	1.072300635	0.485749303	1.305573781	0.692641602	0.485749303	0.485749303	0.827724035	0.812651889	1.231501651	0.757234263	0.485749303	1.632762431	1.305127626	1.903402321	0.727625356	0.537093803	0.485749303	1.18268186	0.944713595	0.485749303	0.923586872	0.750772897	1.184755166	1.408874274	1.092548172	0.838901515	1.04910323	0.501994573	1.676936966	1.108452264	1.037692174	0.485749303	1.217859824	0.485749303	3.679968192	3.054756268	0.902444401	0.485749303	0.485749303	0.485749303	1.561571933	0.527861031	0.852480356	0.756837972	0.485749303	1	1.827535076	0.485749303	0.66161025	0.485749303	0.485749303	0.848464966	0.634919718	0.980581785	0.788005795	0.888009994	0.847312838	1.306954235	1.528923928	1.28188823	0.485749303	0.849386144	1.153364267	0.756940326	1.214760363	1.239779127
N-acetyl-glucosamine 1-phosphate	0.059480742	0.881900792	0.059480742	0.059480742	0.059480742	0.059480742	0.111804448	0.059480742	0.059480742	0.059480742	0.059480742	0.059480742	0.059480742	0.059480742	1.115960528	0.059480742	0.059480742	0.059480742	0.504092481	0.672833736	1.877243321	0.507574122	1	1.894269935	1.987343925	0.078861974	1.573851014	1.223506843	0.115036133	3.439458793	0.059480742	2.016211667	0.059480742	6.462543521	2.555053999	1.0134725	0.059480742	0.939445481	0.059480742	0.059480742	0.059480742	0.059480742	0.409529106	0.059480742	0.059480742	0.059480742	0.059480742	0.10657755	0.059480742	0.059480742	0.059480742	0.059480742	0.059480742	0.935249468	0.059480742	1.145727521	0.576165699	0.059480742	2.224706338	0.760420518	0.820689584	1.305224828	0.238705374	8.745520752	2.279403891	0.449900757	0.059480742	2.346640675	0.202475012	0.059480742	2.59238624
beta-hydroxyisovalerate	0.364121543	0.908054247	0.899661942	0.815453076	1.570905856	1.248127378	0.3893502	1.503501311	0.688334056	0.364121543	0.475641127	0.845038044	0.364121543	0.794528986	0.964368434	0.697100885	1.820516548	1.102272279	0.364121543	0.982993633	1.045519505	0.615806903	3.21789192	2.308043898	0.364121543	1.282662475	0.693501015	0.72996787	2.667032978	0.523905502	1.367465159	1.017797303	0.53650135	2.618665116	1.922024995	0.373174193	1.075432182	1.271468629	0.544349116	2.940145079	1.589661647	0.607523014	1.084191619	0.644573831	0.653744752	1.214085076	0.610361515	0.482779267	1.031659636	0.764739508	0.56735773	0.964476848	0.734117206	0.555619345	1.691766376	1.270877274	1.306503913	2.921113323	2.153550098	0.364121543	1.240627033	1	0.943419704	2.724231732	2.105716919	0.364121543	1.232727524	0.982707812	0.703874357	2.385351166	1.345577655
methylsuccinate	1.857781612	0.445931372	0.473490971	1.088793189	2.675910555	1.202153003	1.357794941	0.466605919	0.308162459	0.585224643	0.542164587	1.310379926	2.957223489	1.153645007	0.369868624	0.688711276	1.191356484	0.700632281	10.24435031	0.828828523	0.628301663	0.579267775	12.50216779	7.266340792	8.626244144	0.632176777	0.308162459	0.519299232	15.25908495	12.18341238	0.81194427	0.757186168	0.668550504	9.860394103	5.893050241	2.418182744	0.466731939	0.712487852	0.721277746	6.675101119	4.668378438	2.609064229	0.508541488	0.356263314	1.006965027	2.707905088	1.22221199	1	0.308162459	0.577850051	0.608051222	1.804009859	0.775517227	7.539464851	0.48402818	0.497907341	0.835175568	14.54502912	8.487622173	5.934661067	0.554606636	0.773689938	0.604011313	12.55011354	7.700814041	1.344579808	0.436731914	0.577791888	0.818349478	10.54373499	6.501273529
ethylmalonate	0.827840226	0.830678362	0.932704634	0.515287306	2.551566572	2.423520897	0.370908156	0.558322914	1.980796854	1.125267455	0.22425219	1.188696649	0.430753415	1	0.729970247	0.68716642	1.509904308	1.506683023	0.513794131	0.861234053	0.751049716	1.070324289	2.16256845	0.403091046	0.941547005	0.524607431	0.962784149	1.372218429	1.421169974	0.821227368	1.029406246	1.289122527	1.140162941	1.845359411	1.455263876	0.336096837	0.817173563	1.326021453	0.781302673	1.202136801	0.768281934	0.845351527	0.22425219	0.514100019	0.615486133	1.568177554	0.42392612	0.977083626	1.166456697	2.305162728	1.001961468	1.2486712	1.22527392	0.798736714	0.22425219	0.958692502	1.552668715	1.373654842	0.346049235	0.818334045	1.364530233	0.22425219	2.237436911	2.501653214	1.205965132	0.22425219	0.792716711	1.284893704	1.13564715	1.747707022	0.611684607
suberate (C8-DC)	0.426118439	0.365234433	0.674634133	1.130102262	4.715263927	2.696876643	0.46068607	0.718315088	1.212062394	0.804186668	0.336463027	1.103793024	0.62508556	0.510829882	0.979465569	0.924492908	2.409144738	1.647227227	0.602007752	0.306071891	0.683764414	1.011516594	3.345479971	2.884946504	1.244317781	0.514279059	0.916419245	1.387152104	3.624283281	1.337517859	0.432115457	0.90748708	0.714095758	3.077667624	2.316404253	1.25795118	1	1.276445553	1.099155152	6.169565671	4.55741475	0.512401422	0.475361807	0.549439252	0.849939807	2.361753128	1.563149398	0.565270664	1.147417757	0.922697373	0.684089252	1.974269047	0.902664478	1.372896693	0.725971994	0.984707605	1.122008073	3.978732006	3.461518691	0.768017156	0.701942873	0.538497372	1.075921171	3.920900052	2.583273319	0.298538138	0.51627985	0.936249562	2.161780257	4.960771295	4.500593901
pimelate (C7-DC)	0.503583682	0.51330262	0.427297786	0.403953969	1.385944621	1.440977403	0.403953969	0.869491822	0.403953969	0.403953969	0.403953969	0.403953969	0.403953969	1.0348621	1.09706048	0.403953969	1.654063007	1.066678203	0.75807719	0.403953969	0.403953969	0.403953969	1.185636313	1.001735777	0.998264223	0.824675932	0.403953969	0.403953969	1.155423553	0.517063765	0.910281697	0.477149724	0.403953969	0.94793552	1.075168148	0.636798825	0.865165623	0.601758379	0.403953969	1.887250427	2.38379918	0.403953969	1.063068917	0.403953969	0.403953969	1.062267246	0.490894676	0.403953969	0.750809176	0.403953969	0.403953969	0.690666182	0.939516207	1.222527312	0.617724702	0.92664709	0.403953969	1.141781017	1.334090271	0.403953969	0.403953969	0.581999128	0.403953969	1.394589956	1.084325563	0.403953969	1.092257517	0.403953969	0.403953969	2.479741911	1.356095614
glucuronate	0.120863941	1.337668389	2.456656112	2.204277748	0.528416016	0.399258945	0.824213308	1.26036835	1.697784938	2.106691464	1.06099889	1.781248124	0.039695938	1.031045156	1.162315735	2.130599726	1.331406146	0.95359255	0.130657919	0.633346811	0.768124582	1.691709431	0.360425048	0.207314224	0.138229393	1.224629687	0.892184911	1.577121044	0.257146561	0.239868432	1.095135506	1.300808633	1.873128281	0.229666428	0.229414584	0.162945729	0.746823257	1	1.388778341	0.160602252	0.13147892	0.670266884	0.834278294	1.731935588	1.371966927	2.172642689	1.783246874	1.858251618	1.198518379	2.461557417	2.683679761	3.072895823	2.265360209	0.143465209	0.803289568	0.929942166	1.229819401	0.122377174	0.163351947	0.152977106	0.763730965	1.403315182	1.300483048	0.35901837	0.296003396	0.065952399	1.013225644	1.054244576	1.423849224	0.135376127	0.203119411
ribitol	0.855091271	1.069052238	0.672098151	0.952928609	3.707349829	3.27530628	0.789598962	1.031277933	1.076910344	1.215885491	0.847672363	2.692556152	0.561882723	1.224257833	1.100877512	1.169909887	4.980364115	3.475003255	1.473091973	1.74821507	2.889679739	1.004695442	0.3071459	0.13829428	0.189287551	1.67046385	1.650999009	1.512122075	0.213123401	0.108893421	1.046333141	0.770162812	0.714348299	0.19854491	0.094383347	0.280232355	0.823531943	0.694870216	0.917808249	0.197976601	0.292449332	1.394766927	1.390549306	0.85799461	1.578471813	5.323522012	2.817252962	1.820798545	1.223109078	1.146831046	0.753074935	4.83195284	3.269148685	0.282265024	0.711953679	0.789938843	2.592342954	0.203490849	0.052015123	0.346667064	0.872514616	1.144041368	1.066519679	0.218192934	0.202663215	0.075565163	1.085279376	1.884736007	1	0.509680004	0.157674151
2-isopropylmalate	0.561574905	0.23256684	0.878571152	1.359934254	3.748502576	2.640252807	0.489504001	0.23256684	0.977915566	1.004642857	0.581226298	2.355877522	0.23256684	0.23256684	0.995357143	1.725444177	3.613853496	2.496569923	0.288887198	0.978943155	1.498214813	0.60871181	1.195198266	0.909009736	0.23256684	0.23256684	0.472012541	1.656735385	0.967891584	0.23256684	0.23256684	0.23256684	0.504685881	1.744948415	1.467871008	0.39981693	0.23256684	0.23256684	0.787208013	1.551310238	1.658401476	0.759106446	0.23256684	0.715224405	1.551631983	4.379222749	2.392830821	1.368795962	0.770599481	1.20658904	0.677567757	3.642728249	2.130912846	0.400500326	0.23256684	0.23256684	1.521854349	0.23256684	0.716431572	0.23256684	0.23256684	0.23256684	0.692906767	1.618617319	1.380855169	0.23256684	0.23256684	1.370866105	0.897903294	0.711595419	0.855487812
quinate	0.495357851	0.295503943	1	5.681450504	3.559740767	2.394231193	1.301015225	0.749175964	3.61670738	3.298864857	2.414440048	7.939186417	0.914744247	0.84873679	3.356580392	6.873143829	8.817505371	5.472338433	2.238760235	2.435861438	4.90262988	1.278986667	0.544689044	0.576231055	0.437050111	0.206102181	2.698143813	2.814456657	0.656880595	0.428620033	0.082125036	0.583906719	0.563792935	1.160727139	0.374487277	0.142035444	0.108173187	0.444637617	1.937315486	0.123592411	0.11495543	0.959296129	0.7013946	1.55708228	5.343168645	7.011445839	2.876371228	2.833376466	1.284065395	3.505887258	3.604504002	10.74576392	6.242959177	0.541445548	0.248430877	1.328067683	8.307124962	0.734821934	0.517865647	0.458873944	0.510275395	0.602867245	1.841486768	0.475205149	0.78559264	0.068890459	0.23440846	3.272354986	1.724697432	0.401378758	0.520384273
maleate	1.198411482	0.922436983	1.066206703	2.981100811	2.340778972	1.170796124	0.70737505	1	2.484744395	1.83114706	0.776534838	1.800784474	1.78909768	1.418908789	2.451917982	3.271915508	4.133646704	1.512590536	2.737803178	2.024719508	3.353991696	1.07895417	0.362032136	0.506110181	1.312903291	0.675334218	1.766127499	2.400214535	0.46238994	0.669510207	0.625659805	0.711298342	0.802408255	0.537988542	0.537483591	0.737084062	0.636048682	0.712294396	1.223779949	0.719896351	0.54867282	1.102414532	0.872731183	0.546593013	2.858399629	3.794071491	1.679505831	0.639803965	0.929284742	1.22020006	0.965535959	1.446556458	0.80980066	0.910684647	0.634807076	1.274158708	5.487394694	0.506473893	0.792491096	1.366330217	0.984839477	0.856938318	2.024645658	0.396078924	0.699450924	0.65662704	1.049919042	2.800487227	1.640424306	0.435832486	0.548383881
galactarate (mucic acid)	0.064049239	0.484475601	0.516420976	2.84421374	15.50118376	5.77096755	0.134474717	0.644727061	1.136049784	1.018762619	3.623009472	8.81283683	0.395798991	1.213833871	3.042506511	2.978579086	29.49772647	9.5733441	1.316402507	4.060580162	4.769700292	0.38250621	0.064049239	0.064049239	0.064049239	0.203270115	1.113414006	1.628285456	0.159222591	0.064049239	0.147451175	0.224479491	0.244491031	0.093517731	0.064049239	0.064049239	0.064049239	0.362970793	0.496919614	0.118053413	0.092517023	2.356514655	1.118445052	0.908881873	2.050994192	30.53470747	7.064105562	1.209774716	1.204458128	1.170578138	1	18.91559146	8.132864284	0.064049239	0.283622772	0.590179964	2.929491348	0.089820089	0.064049239	0.221996059	0.435014562	0.34245497	0.46799994	0.097777289	0.064049239	0.064049239	0.511116176	1.459704804	0.383280318	0.080328426	0.064049239
N-acetylglycine	0.043825781	1.805890462	1.023367335	1.161471375	0.719489892	0.497347563	0.364889355	2.325626937	0.91405225	0.989547542	0.841786775	1.873432351	0.043825781	2.294675001	1.107689918	1.196565607	2.714181599	1.896464101	0.163095565	0.884794356	0.79212319	1.413686379	0.750586907	0.484888436	0.20153685	2.240802687	0.757499363	1.090829114	0.536636358	0.236018531	2.182598548	1.620283376	1.926862104	0.527011383	0.362485065	0.043825781	1.868841144	1.1479332	0.901187198	0.242215855	0.144942247	0.428550284	1.411895618	1.198921049	1.170074454	3.233421292	1.777949017	0.795451193	1.74673379	0.909485955	0.989204142	2.358805846	1.199375334	0.221115059	1.584115468	1.11902701	1.222894585	0.708845462	0.433190828	0.071318803	0.919730809	1.932024342	1.568378653	0.406967849	0.218770363	0.043825781	1.96570736	1.014726643	1.010452458	0.560734945	0.310717604
ribonate	0.397041353	0.357791408	0.992789664	4.585568826	5.130722291	3.209075822	1.373673501	0.985790528	3.314498334	4.083287585	2.778154245	7.681680338	1	1.032851123	2.67175706	5.634922008	9.290934097	5.620135097	2.338251889	2.679494313	5.037685249	0.920634168	0.209681467	0.143598042	0.195964508	0.647374861	1.90748535	2.586725131	0.218910082	0.129553836	0.508735669	0.367831166	0.616523544	0.22367825	0.142171584	0.114751056	0.412437628	0.442170951	1.623177145	0.396305343	0.207188342	2.423490246	1.525234751	2.090836202	5.154665784	14.7352532	6.739261984	2.861400296	1.623340985	3.040346925	2.481439927	11.97414504	6.323159986	0.297401727	0.477362889	1.154979145	4.534008172	0.23612633	0.15496464	0.419837531	0.511054911	0.659332784	1.291195696	0.22682376	0.206547673	0.096728439	0.605004822	2.499156498	0.96036398	0.273548492	0.168942825
threonate	1.038967289	4.027318484	0.467121812	0.724183994	1.708817246	0.805564787	0.662847445	3.296865804	1.033084234	1.523548868	0.367330411	1.230003679	0.850493909	5.371999613	1.454147211	1.433765765	1.853322799	1.189071517	0.821897322	4.144795698	2.602207134	0.827960691	0.124592925	0.12794729	1.14519544	4.033758569	1.757938424	1.132660011	0.131893961	0.464892785	2.387619756	1.231954358	0.888287095	0.26934393	0.429101089	0.952610358	3.283486116	1.466377127	0.86173627	0.214957223	0.274260712	0.835996441	1.716507247	0.688821297	0.936831586	2.921176502	1.453729136	0.851915041	2.234972007	1.061381946	0.997679828	2.433556443	1.195734917	0.418211363	2.853837818	0.831754313	1.298560541	0.076185714	0.105336081	0.934257348	2.147464149	1.337671411	0.631519431	0.277351124	0.39014982	0.371432779	3.260974063	1.841060188	1	0.243545784	0.265843001
galactonate	0.512401657	0.277899558	1.256970977	6.636987375	3.452366084	1.523883574	0.864150644	0.854524384	3.524339829	4.287189756	2.734513716	9.480508672	1	0.926917955	2.870055411	8.194458981	14.63839956	8.846678236	2.908917076	4.270778851	7.175692574	1.173999867	0.114140839	0.063421194	0.17208127	0.309365573	2.430725951	3.13030652	0.134249655	0.057884046	0.123720058	0.298513404	0.714896074	0.216252806	0.051664647	0.046009057	0.11549861	0.442227461	1.950893286	0.102814053	0.041221536	3.455941635	2.252014611	2.768135871	7.869560803	19.91142927	11.01254134	2.834903431	1.580917998	3.359357089	3.366428242	14.08663845	8.876913452	0.211089812	0.234704738	1.107027327	6.219958416	0.107280266	0.053484482	0.601295862	0.736211399	0.777209697	1.693163387	0.111698902	0.043769153	0.055474776	0.300743407	2.846438821	0.934100891	0.104170801	0.058989658
gamma-glutamylvaline	0.092933685	2.612829833	1.327723023	0.376572402	1.307268766	0.648545118	0.35739892	2.848114071	1.321057703	1.043325807	0.56993741	1.12384914	0.062008079	1.977097384	1.698431051	0.804243535	2.07192947	1.089295288	0.062008079	1.0937983	0.798656601	2.070266677	0.117233342	0.135148195	0.073534437	2.969099308	0.840500167	0.570137954	0.113985883	0.062008079	3.358748286	1.807003476	2.352875607	0.162661477	0.268814456	0.095684705	2.28688064	1.835734786	0.998194796	0.209875438	0.214813988	0.268922725	1.980239035	1.669107951	0.419158472	2.136764235	0.960833943	0.388018173	1.691212698	0.832666032	1.001805204	1.227698324	0.637955042	0.062008079	2.308887574	1.525669169	0.765493023	0.376413689	0.115928576	0.062008079	1.449166558	2.428833797	1.321392969	0.200674406	0.093487334	0.062008079	2.079296693	1.303914268	1.030648474	0.416696579	0.143817724
3-hydroxysuberate	0.594901728	0.863316754	0.968131397	1.032145772	3.537340936	3.461124063	0.455257703	0.377060713	1.503082335	1.622838285	0.453550058	1.485836764	0.377060713	0.463894582	0.849859947	1.619084754	2.212424468	2.437481282	0.456977092	0.687405824	1.376784718	1.472788664	1.119752427	1.661698367	0.377060713	0.821255131	0.934192245	0.932785258	1.005354301	0.377060713	0.377060713	0.377060713	0.377060713	0.720083621	1.224076151	0.377060713	0.377060713	0.556974156	0.825034499	0.737705014	0.424569419	0.778333813	1.114981825	0.763470019	1.375023049	1.392642093	1.391838772	0.994645699	0.944456907	1.839514249	0.986358805	1.381325128	1.424213561	0.377060713	0.377060713	0.665091343	1.420027834	0.377060713	0.383336955	0.377060713	0.719954431	0.479439554	1.278502346	1.888502757	2.040104996	0.377060713	1.093473014	1.403613772	1.402570863	0.469087984	0.408110727
2-hydroxyadipate	1.520451077	0.579259954	0.20188905	0.169971707	3.472286347	1.620508066	0.925390334	0.777618987	0.445754607	0.169971707	0.169971707	0.169971707	2.593518406	2.285728843	0.549154167	0.310338321	1.535022777	1.225465689	6.351395212	1	0.439938759	0.490287421	2.653846976	2.037305462	4.020339742	0.857244398	0.567321301	0.471780621	2.568897606	5.254865725	1.492496512	0.549446029	0.307175647	2.305883655	2.178360215	3.248869979	0.800313751	0.44334549	0.169971707	2.62798199	2.193677923	1.556765216	0.49884073	0.169971707	0.265239396	1.342309758	0.560512871	1.894117099	0.938691428	0.549539123	0.169971707	1.163533137	0.475995003	4.250900431	0.576292274	0.38592673	0.346034769	1.50085986	1.47367269	6.31666241	1.829013067	0.440314909	0.35320551	2.836330996	2.058003741	0.767645368	0.839380448	0.794833796	0.379635349	2.016804693	1.914790218
N-acetylglutamine	0.146216193	0.827590238	0.448058723	0.2648491	1.274795792	0.9417696	0.41129786	0.72850313	1.117873902	0.585642105	0.283619461	1	0.448720404	0.725212423	0.858113484	0.506838944	2.559911776	1.736241061	0.339960881	1.358824775	0.803035388	1.236291936	2.245764013	1.81846638	0.754586102	0.629404646	1.676049636	1.883654852	2.420897598	0.942780764	1.056227032	1.472738706	1.539443291	3.212774792	1.593086167	0.323513036	0.676830128	1.274434933	0.546999845	2.32686378	0.827184509	0.421929617	0.986398582	0.401530649	0.408974711	2.225456683	1.065548699	0.791184547	0.949138457	1.146146676	0.328185877	1.524931193	1.030902432	0.480063324	1.163423675	1.292136621	1.335448562	2.464480025	0.955914519	0.434069903	2.450622024	0.724843349	2.517848622	2.233002493	1.150350589	0.209088467	0.855106536	1.444197341	2.175792105	3.09485286	1.355120123
alpha-hydroxyisovalerate	0.41645286	0.882909248	0.152783973	0.152783973	2.168911695	1.208109263	0.292756838	1.11428541	0.305741032	0.152783973	0.152783973	0.433877404	0.466206077	1.17173834	0.152783973	0.152783973	1.905359975	0.842526699	3.101355804	0.901297754	0.828480016	0.700045402	2.325550184	1.440032647	2.504238636	1.357733731	1.018279328	1.552645769	2.00754926	3.601166074	1.55197073	1.413144233	0.962653132	2.303750531	2.132701876	0.459185399	1.115584895	0.341681901	0.152783973	3.477215748	1.856062109	0.761182424	0.483359008	0.152783973	0.194914701	0.700917495	0.278129648	0.271259422	0.920031102	0.152783973	0.152783973	0.392850438	0.317530926	3.211784035	1.331320641	0.152783973	0.152783973	1.481821196	1.488855189	0.707687863	0.97280003	0.885071505	0.981720672	2.197289989	2.213115474	0.259741142	1.562985726	0.906664785	0.979370682	1.968365006	1.199863661
erythronate*	0.356237143	1.626982679	0.560044983	0.633360627	4.250569565	1.824295407	0.407365382	2.112965947	1.353779957	1.0591829	0.514891832	1.509117876	0.453434062	1.933490829	1.36185464	0.654037404	3.544579297	1.890594866	0.83396542	1.504573326	1.696497748	0.7024771	0.772897214	0.429631217	0.167559272	2.102051852	0.970192505	1.114385687	0.887958475	0.169739131	1.614016495	1	0.659300002	1.018375613	0.691705119	0.243586384	2.378608716	1.140180065	0.535781098	1.868409995	0.749254164	0.852700214	1.153033033	0.606899377	0.867572268	4.512334604	1.713635447	0.909950775	1.48596784	0.915551167	0.555204517	3.744759024	1.634187033	0.161155134	2.285041448	0.834182837	1.578706448	0.654366779	0.421954519	0.373744995	1.012150191	1.334891065	1.335651183	0.8547052	1.411129233	0.103067912	2.042820171	1.671466075	0.827885118	1.981929284	0.847858175
orotidine	0.095285235	1	1.196312594	1.160202767	0.699368283	0.436647861	0.390419615	2.141503524	2.074710674	2.344095943	0.27163731	1.171428121	0.174863438	1.299055952	1.27910788	1.820920416	0.737719364	0.62585914	0.076316311	1.187950833	1.189018769	2.002843679	0.050430286	0.050430286	0.237452588	1.203920908	0.598927584	0.990620091	0.050430286	0.135309996	1.323134702	1.30691984	1.520217338	0.068216764	0.176619266	0.228597934	1.316542876	1.231605911	0.932008938	0.050430286	0.142972246	0.050430286	0.767982515	0.920035117	1.017110201	0.743390127	0.352833597	0.573040728	1.752566738	1.63741475	1.431625992	2.150212135	1.00455304	0.110777352	0.978572418	1.193254	1.589564271	0.050430286	0.050430286	0.324629977	0.967314702	1.319012322	1.702674154	0.050430286	0.050430286	0.22417849	1.40689171	0.961827323	1.580546979	0.050430286	0.050430286
N-glycolylneuraminate	0.191592863	0.562174035	1.029923284	0.591402382	4.549956823	3.671292741	1.22642855	0.470816083	2.329928524	3.397392051	2.085010105	4.882637751	0.191592863	0.795435748	0.625538576	1.134979459	6.158486542	5.098532886	0.191592863	0.356003454	0.340541686	0.375671297	0.283953346	0.938774952	0.970076716	0.633677308	0.191592863	0.191592863	0.401823696	3.286206763	0.662240339	0.339129028	0.310465744	0.778611448	1.441234572	6.395439394	0.811740554	1.031153663	1.30366448	0.560556314	1.081872638	2.259209048	1.382627498	2.026485057	2.247461203	10.6579568	7.382108005	2.753429683	1.525151006	4.201258177	2.883936485	6.633800346	5.504845189	1.440150015	0.386302687	0.637609965	0.673500589	0.600976557	0.191592863	0.191592863	0.191592863	0.73521551	0.424594829	0.598552254	1.964656211	0.766736008	0.647589709	0.191592863	0.191592863	0.762971959	0.794150685
gulonate*	0.098027559	2.359118367	0.640057876	1.033929385	1.436016407	0.824288805	0.263962245	4.502486836	1.521685935	1.275361393	0.582012885	1.62969442	0.207870708	5.785318325	2.106282671	1.860245875	3.144101109	2.046897107	0.583435157	4.137458809	2.671962326	0.776386068	0.017707875	0.013346824	0.107452578	8.7606968	0.994975151	0.867475403	0.016046285	0.07152808	6.955338674	2.024519521	0.942545406	0.025214971	0.034742804	0.069798008	4.310332659	1.907829025	0.578354422	0.024348386	0.026356886	0.476949938	3.664691618	1.321212542	1.258669665	3.269423321	1.435555026	0.589251441	3.497537917	1.037313029	1.002938489	2.635913949	1.506511234	0.061141569	3.836929612	1	1.573287824	0.013727116	0.007509996	0.151779091	1.534929696	1.804833513	0.768117409	0.03201643	0.015828472	0.149142564	4.783350855	1.706017638	0.491278568	0.019168227	0.018777088
cholesterol sulfate	0.354735055	3.533638657	2.068280685	0.828198865	0.727214978	0.747679715	0.601624019	2.355123511	1.571304485	1.527559431	0.194868416	0.955649131	0.1441703	2.979188065	2.730121112	1.554434666	0.953138809	0.979075138	0.190044958	1.67782132	2.380368857	2.80004602	0.846523989	1.273029911	0.681819406	3.121304375	1.655365389	2.043224789	0.692096179	0.479113551	2.34616477	2.992215195	2.560554391	0.50403119	0.781311282	0.687993433	2.472965841	3.019208969	1.84676683	0.818583346	0.74076283	0.199393442	1.879223475	1.572052956	0.943471035	0.734000963	0.746241854	0.699676593	2.325448166	1.384343811	1.340081676	1	0.68146705	0.618129956	2.204874818	1.813940767	1.514323284	0.66720425	0.745272233	0.278153395	1.431364495	3.18829524	2.114889782	0.424566755	0.609283459	0.336152149	2.352270768	2.095393604	1.34118599	0.649968727	0.733654902
4-hydroxycinnamate	1.394526757	0.550710601	1.0631964	0.723715829	0.912845045	1.211402422	1.701307191	0.489672214	0.975840455	0.452315581	1.005756409	0.735390518	3.198468914	0.7019366	1.415292673	0.667878902	2.103813928	1.650864352	7.960972857	1.837418737	2.772112076	0.786783002	0.831136247	0.91487545	0.678846215	0.21346601	2.433654531	2.314967338	0.799758596	0.367483747	0.21346601	0.272738383	0.73962345	0.994243591	0.844199791	0.242562896	0.291725334	0.91481178	1.037142153	2.176755783	1.060635058	5.778553201	1.109700374	1.203064977	1.457487635	3.29769919	1.669099141	1.996220847	0.624414869	0.980699828	0.519470001	1.183258958	0.801601769	1.207226685	0.776852744	3.351838088	3.951084685	0.592360058	0.819523068	1.628740337	1.437991869	0.830200631	0.770683293	1.33118818	1.718706185	0.359359433	0.342160079	1.468970238	1.08952313	0.907031172	1.057024252
3,4-dihydroxybutyrate	0.66188863	0.637960906	0.5750998	0.230960099	1.354368114	1.50322647	0.593048105	1.011500124	0.877655357	0.662436973	0.466751641	1.036429354	0.409327958	1.381529315	0.834803203	0.407326534	1.387222137	1.239063355	0.961476686	1.021978914	1.169414857	1.390975931	4.150256973	1.298234649	0.544007136	1.149604197	1.239533967	1.522156187	2.949345466	0.362823007	0.917726668	1.152896896	0.848016832	2.735744613	0.988499876	0.456083549	0.782568417	0.868430828	0.500702349	1.647032354	1.109809436	0.511990169	0.871110674	0.443153874	0.480716663	1.569920686	1.029920099	1.147321992	0.927592604	0.670339557	0.322619502	1.707401329	1.3560877	0.708818718	0.926113613	1.054794336	1.190331192	2.657423631	0.903013954	0.869844251	0.924378164	1.352347126	1.359994839	3.763361356	1.50310538	0.230960099	0.941350874	1.128006796	0.900656663	3.135652394	1.228692964
mannitol/sorbitol	1.061030021	0.344021467	1.872765002	5.821615593	3.701473356	3.877035411	1.277207689	0.641299722	3.340359528	3.87575929	2.039372045	6.40300619	0.939375067	1.553979952	2.364567202	5.964548711	7.224409535	4.867105324	2.327145367	2.763329457	4.550079411	0.698246125	0.273397923	0.054689126	0.328827116	0.210760456	1.793473057	2.388352716	0.117520513	0.164058784	0.103087941	0.277510233	0.279587576	0.168243869	0.029221055	0.139393671	0.140052876	0.348007841	1.900639046	0.513572934	0.082023133	2.868975601	1.765235523	2.651065391	6.40908611	8.642242752	6.763037425	3.010258657	1.285438448	2.95202613	2.820433211	7.541244943	5.961978499	0.487960718	0.18458601	1	5.041866487	0.228311753	0.047583008	0.703976992	0.602343996	0.414454895	0.922486269	0.135496724	0.032739957	0.140693363	0.306570642	2.533170158	0.577183619	0.297374451	0.056361861
chiro-inositol	6.980019702	0.585146522	0.204251465	0.316480758	18.54106598	20.42063239	6.891227476	4.172657908	0.342059425	0.252720991	1.8905882	3.879093439	2.27965653	3.506663575	0.155213862	0.273788109	13.04467456	12.20349471	7.606998368	4.577890715	1.273259194	2.260307371	0.321822298	0.151404144	2.712107134	3.261508111	1.435089588	6.611868969	0.52790971	1.20676178	1	0.260302285	2.302582482	0.309588071	0.179291731	0.3478836	0.798085427	0.195361613	0.289222275	0.231776948	0.184492905	8.293173886	1.3160205	0.275330102	0.284481869	5.632356823	4.431215789	8.688293215	3.116479436	0.282910887	0.291911099	4.354291108	6.336797222	1.933729918	2.478730724	0.237011179	0.747643147	0.267888157	0.249184885	2.296608786	0.65279331	0.743028866	3.020352573	0.51577313	0.138682196	0.337554996	2.105633104	0.877781321	2.527580663	0.257407489	0.19083735
2S,3R-dihydroxybutyrate	0.307491176	0.307491176	0.307491176	1.205971501	2.089753086	1.220459429	0.890904211	0.545949186	0.946476539	0.78670732	0.526079864	1.601995021	1.013953956	0.519150073	0.307491176	0.828533644	1.536356071	1.151963093	2.092667667	0.708999045	2.028689872	0.47990087	1.375060516	1.295917421	0.526940266	0.307491176	0.68621024	1.324831178	1.48647073	0.736933104	0.437430675	0.914113821	0.648661413	1.484894552	0.991106319	0.64838932	0.348385194	0.848180715	0.463877619	3.012720958	2.424831872	0.307491176	0.656342115	0.325937117	1.780573789	2.529881811	1.275244077	0.757217511	0.816921076	1.216950001	0.328216815	1.820955487	1.259913723	1.196285645	0.307491176	0.877958143	1.351536324	0.837078016	1.138235882	0.421753055	0.873102959	1.018144024	0.993153145	1.765807232	1.126691133	0.416306293	0.307491176	1.247665455	1.006846855	1.162604134	1.463907443
2R,3R-dihydroxybutyrate	0.170865308	1.298190472	0.693431374	0.523594642	1.884121328	0.982086435	0.926939817	1.918204314	1.028890547	0.419465906	0.170865308	0.711048452	0.994627583	1.506121895	2.585927379	2.122117945	1.167106615	0.822398086	0.969854817	1.336253863	1.254178209	2.660893426	0.630290036	0.502876187	0.449288518	1.500123464	0.887474851	1.558939219	0.604541732	0.568340732	1.801486609	2.875411909	1.318542883	1.26429616	0.734767427	0.499917401	1.317624729	1.669780217	0.538955461	0.719868294	1.316214458	0.458014457	1.138599502	0.730371418	0.429502128	2.182319625	1.449098975	0.816004918	1.723959121	0.84323218	0.34113938	1.694733831	0.670661853	1.082641675	0.981632575	1.265155191	0.896992003	0.548763883	1.153153459	0.619804301	1.655895748	1.038034699	1.167491788	0.922404694	0.675636056	0.499423545	1.281378518	1.836441667	1.021827022	1.005372417	0.786731807
2,3-dihydroxyisovalerate	0.066639065	0.066639065	0.066639065	0.066639065	2.712739552	1.756446108	0.282858252	0.066639065	0.066639065	0.066639065	0.066639065	0.393522352	0.324087867	0.196083125	0.066639065	0.066639065	2.560772896	2.20605253	0.598327679	0.404617733	0.616997713	0.5926865	4.463055463	1.585088219	0.066639065	0.066639065	0.326774388	0.678488727	2.517631383	0.205178256	0.066639065	0.219466641	0.625364452	3.366027381	1.178172303	0.142033208	0.066639065	0.066639065	0.066639065	2.430349772	0.697560454	0.473481011	0.066639065	0.066639065	0.066639065	1.826489812	1	1.193201408	0.472594408	0.066639065	0.066639065	2.915077185	1.799895827	0.231441434	0.066639065	0.066639065	2.029059625	2.544002433	1.472475236	0.197811128	0.066639065	0.066639065	1.402169558	8.4581211	3.432232904	0.066639065	0.066639065	0.531840662	0.741465289	4.040418008	1.610082619
hydantoin-5-propionate	0.952438755	0.152630365	0.826061877	0.183892277	4.072422805	3.484056801	0.713471339	0.10020114	0.972750848	0.701520836	0.410274673	1.511278365	0.10020114	0.10020114	0.10020114	0.303274413	4.665280592	4.031931542	0.558240204	0.220945105	0.593178809	1.12644961	5.443495315	5.38983969	1.152948877	0.10020114	1	1.113139785	4.36423577	1.382044903	0.194453362	0.849656909	0.307555527	5.043523404	5.440036817	0.566950402	0.10020114	0.511925423	0.545316607	3.584511246	2.533857667	0.96155023	0.476545414	0.435111153	0.813667463	3.13208503	1.833071668	2.525669128	0.761983106	2.309193234	0.55073885	4.236419313	3.074253627	1.578120925	0.338255653	1.095185189	0.901546919	3.825981622	3.645648161	0.310790815	0.185010834	0.127272226	1.15554714	5.205327943	5.257554022	0.114950543	0.10020114	0.688130756	1.288527518	4.195393852	4.291486928
pantoate	1.229971584	0.131178964	0.131178964	0.131178964	5.487836804	3.957079487	1.854983941	0.203231974	1.586743705	0.507913071	0.975613313	3.502009029	1.385051367	0.71971821	1.208146049	0.154854026	14.57858209	10.82713377	3.181590831	1.601659105	2.310043181	0.673314586	0.582520923	0.627644322	1.25701197	0.131178964	1.308617826	1.803445392	0.640387685	1.024386687	0.131178964	0.261502576	0.131178964	0.50822857	0.777007259	2.164966827	0.131178964	0.671352882	0.134378828	0.494081585	0.864822609	2.218803613	0.691174646	0.355759719	0.286272769	6.837738754	3.459387188	7.146386728	1.665988694	2.2036274	0.131178964	18.3220644	14.50063135	1.385310777	0.131178964	0.876853646	2.371342575	0.380577588	0.67766567	0.887049178	0.509668649	0.131178964	1.398239234	0.756942911	0.811131654	0.131178964	0.131178964	1.835438414	0.752103854	0.551533291	0.456465666
sedoheptulose	0.563703386	0.942552176	0.676886687	0.15338538	1.248257913	1.357428683	0.548822293	1.441364201	0.224662897	0.367863924	0.165113271	0.783987888	0.036526832	1.707635474	0.508621876	0.112134893	0.599057529	0.725975818	0.048203549	0.942518614	0.558906292	1.738492258	7.064397562	2.029040428	0.437418462	1.780604734	0.904057126	1.316400837	4.915756772	0.257114061	1.510247159	1.622609013	1.166719281	4.44574459	1.590613766	0.34300251	1.163325493	1.018543712	0.19397326	2.588652527	1.094176695	0.253081591	1.046929508	0.586960784	0.064098159	0.422334001	0.290474067	1.303223783	1.346085929	0.327165388	0.263747116	0.981456288	0.587763623	0.431634102	1.199158149	1.109885881	0.46209279	4.842972271	1.374513262	0.070536154	1.113369058	1.827891798	1.249036826	6.217016325	1.382194395	0.036526832	1.530074881	0.757497536	1.151361669	5.816900617	1.580613175
galactosylglycerol	1.264913171	0.433976453	2.061523915	4.487115526	3.469972038	3.947146431	1.129445916	0.498893304	2.110044886	3.062498896	1.014928624	4.050771155	0.160151582	0.535857984	0.921698308	3.562605592	1.861187638	1.560004415	0.576467255	0.985071376	2.121204562	0.244004415	0.035760118	0.035760118	0.057891832	0.29292936	1.371771891	0.247047829	0.035760118	0.069706402	0.150639441	0.119067697	0.083409124	0.035760118	0.035760118	0.083626932	0.144412804	0.533936718	1.989689478	0.035760118	0.035760118	1.726274467	0.918499632	1.599752759	3.552646063	6.323523915	4.358167035	2.111675497	0.719516556	1.975186166	1.873571008	4.55367844	3.079150846	0.054790287	0.350352465	1.290218543	8.942656365	0.035760118	0.035760118	0.216900662	0.588137601	0.351244297	0.144614422	0.035760118	0.035760118	0.035760118	0.324930096	1.35643635	0.052010302	0.035760118	0.035760118
2-O-methylascorbic acid	0.260399084	1.088807181	1.293033313	0.981947701	1.67426698	1.128332179	0.361864758	1.27459647	2.186240603	1.846524296	0.195374305	1.078136741	0.189106014	0.8876159	1.367295899	1.50455443	1.715512947	1.20243193	0.103848897	0.773046879	0.917889881	1.370516559	0.033877893	0.126044877	0.15820898	0.792566131	0.771058108	1.121725151	0.115535692	0.146790705	0.952791739	1.058613038	1.080073819	0.144814857	0.2437843	0.286139671	1	1.235989322	1.00476903	0.033877893	0.065121131	0.337857776	0.943938046	1.119089634	1.296770767	1.872199548	1.056814385	0.835993716	1.546034598	2.452857721	1.580189483	2.16626257	1.268075741	0.116118682	0.690570884	1.054357068	1.548341429	0.033877893	0.033877893	0.167661316	0.686819932	1.002694247	1.431678527	0.054505543	0.158506219	0.138795988	0.979544805	1.070125367	1.048613037	0.033877893	0.133385956
mannonate*	1.127057765	0.480021912	2.206849161	5.554373373	6.468565362	4.426964352	1.077340783	0.641340766	3.147291879	3.273000583	2.187762814	6.015557412	0.680984501	0.869005296	2.119792163	5.468095676	10.99756967	10.04849983	2.071306114	1.827774378	4.55894675	0.922659217	0.165900054	0.070593732	0.135935164	0.039711013	1.479159567	2.558968835	0.096635645	0.050236976	0.220601245	0.343401085	0.582076128	0.637087595	0.061203982	0.050397771	0.20307392	0.369440651	1.41069221	0.093927834	0.056600697	2.568325669	1.433710801	2.376329	4.795874417	12.52194951	6.465698622	2.654607819	1.187004216	2.397716116	2.300410513	9.415030413	5.054730317	0.192415144	0.183645885	0.795854739	5.052700286	0.079937146	0.039711013	0.370081663	0.337360277	0.456199047	1.175185577	0.268588061	0.077817932	0.061944768	0.250101866	1.917968855	0.909573298	0.088493316	0.056901043
3-hydroxyadipate	15.840085	0.82353798	0.530958362	0.493431603	0.811253743	0.430693741	2.108153266	1.456154757	0.341539485	0.341539485	0.341539485	0.341539485	0.341539485	2.988539758	0.525163264	0.341539485	0.62316297	0.753348461	0.341539485	2.179456677	1.443444956	0.853704479	1.782128306	1.113738438	2.145977062	1.01712967	0.410403758	0.759520569	2.225617532	1.795569278	0.917607644	0.641816388	0.341539485	1.746392344	0.832234911	2.365325378	1.094787982	0.419214934	0.341539485	3.222091633	1.326526211	38.34479548	0.98287033	0.520139322	0.563718231	0.630965931	0.542699933	6.791506426	0.896086667	0.489453007	0.341539485	0.637737827	0.590822952	1.630290455	0.84354235	1.043380407	1.061388339	1.907718277	1.143736424	3.744975701	1.27544138	0.848971863	0.489318769	2.081105667	1.092345986	0.481938516	2.899856765	0.929597699	0.831806491	2.39959043	1.25078151
6-oxopiperidine-2-carboxylate	1	0.65468603	0.420726974	0.369770033	5.141997869	3.947203763	0.835787254	0.591965151	0.313159206	0.521742551	0.245539431	1.181981233	1.638729397	1.51221492	0.386956726	0.29240979	2.299603539	1.546106527	3.778477543	1.128845311	0.311429072	0.793587099	4.94491074	2.375425749	1.102399929	0.729331846	0.979904339	0.600382252	5.125049626	0.882341103	0.811050052	0.844165324	0.489298109	6.041554938	1.907744867	0.489628646	0.374771384	0.517479114	0.360797362	2.845019719	1.163616316	2.2217914	1.031824228	0.455365033	0.547259746	3.136864182	1.386931112	1.385598598	0.912423609	0.371270255	0.489975649	2.80907171	1.228472268	1.248009919	0.948575917	1.066160413	0.5819594	3.709050182	2.072535138	1.308183469	1.335112459	0.649087639	0.880515223	3.580920832	2.15951022	0.224318603	0.447763297	0.673619933	1.053005415	6.445623955	2.597059808
N-formylanthranilic acid	0.878392186	0.730006042	0.703244416	0.661913128	1.148494728	1.305071957	0.680313834	0.702024941	0.596197911	0.631353868	0.520353815	0.826998839	1.084455594	0.666587781	0.492400556	0.405013211	1.040042208	1.017504197	1.900022552	0.417010282	0.405013211	0.613161976	1.905036877	2.966999006	2.227387512	0.849815269	0.782691253	1.11873453	2.78429773	6.514401218	0.994155987	0.999509983	0.66424071	4.031887318	2.691620426	3.992763892	0.834493876	0.948826603	0.801966194	1.850948434	1.296463245	1.089297299	0.405013211	0.98171623	0.809608794	1.268381913	1.12974043	0.945332446	0.76071008	0.896692662	0.69521203	0.85587088	1.111679395	2.496011649	0.839196372	1.096747789	0.957301675	3.845137831	2.218394581	2.3502148	0.614125305	1.107196851	1.174228988	2.694738718	2.95699263	1.535257579	1	0.951750002	1.24844155	2.536688652	3.316069504
2-keto-3-deoxy-gluconate	1.05606296	0.257973336	1.155290783	0.866739593	12.08449348	8.877402768	1.555104475	0.256488521	1.859643789	2.255167396	0.852627376	3.760103204	0.052958651	0.03239719	0.143758498	0.384699084	4.262258234	3.706099202	0.511392752	0.205268143	0.802159783	1	2.083726416	0.669534498	0.733834293	0.167797397	1.204593353	1.980237686	1.08974451	1.117488862	0.377953033	1.247504647	0.987716549	1.280499524	0.571789761	0.185620981	0.093792966	0.349981444	0.589943962	0.661065126	0.52871076	2.154994534	1.004016544	1.464557081	2.136184568	14.90544025	7.566486236	5.557663708	1.573722018	4.565748236	2.518089372	13.53623292	7.105176791	0.565567641	0.137644891	0.549050731	0.929544364	1.484851526	0.830492952	0.449756351	0.422219316	0.499006311	1.911974069	1.654792236	0.614934762	0.176394083	0.112636852	1.176979662	2.055781998	1.871388469	0.783026008
arabonate/xylonate	0.452800469	0.708719304	1	3.890226205	3.387240196	2.147043001	1.003223715	1.221126946	2.948839329	3.37799785	1.848917244	5.962760823	0.813407014	1.169871103	2.261782097	5.254241168	7.203995098	4.168044929	2.029681636	2.513399219	4.000666755	0.847741602	0.162284589	0.127534118	0.191386501	0.709592375	1.519250147	1.762879263	0.169413747	0.125905788	0.667620242	0.390365184	0.699119495	0.223684433	0.158448732	0.131489814	0.447736218	0.522184931	1.41297922	0.271292235	0.176714914	1.568844713	1.238153177	1.567727075	3.904804427	9.380905299	4.519935487	1.607953121	1.375440362	2.108138908	1.951784336	7.285382238	4.289314154	0.197765901	0.505408962	0.911271191	3.94273386	0.167242445	0.134401542	0.417608672	0.475486175	0.692961163	1.13642317	0.197405994	0.24091462	0.107282783	0.582275989	2.048360783	0.858408658	0.201169569	0.146965691
ribulose/xylulose	3.458995462	0.631623095	2.116211773	0.47718912	15.34139442	12.20464916	2.339981003	0.697532768	1.338353748	1.71660248	1.34624238	4.9950327	0.136060278	1.250539946	0.136060278	0.136060278	15.52011098	9.757778435	0.136060278	0.578897013	0.793140008	0.675155431	1.365977756	0.835254101	0.136060278	0.912468329	0.752896672	0.915137882	1.062253006	0.136060278	0.671113162	0.136060278	0.521867914	1.416394365	1.081804894	0.370418044	0.345411163	0.497107984	0.465364449	0.71342454	0.291746943	1.877168839	0.933096316	0.978442844	0.860787994	9.238366234	4.3907232	4.05130646	1.834021416	2.400457756	1.104535412	10.20711177	7.166961559	0.372306735	0.649767776	0.748739895	0.723051485	1.196217651	0.757272807	0.136060278	1.04984062	1.020787332	0.979212668	1.821228256	1.566137654	0.136060278	0.665768538	0.487925275	0.136060278	1.783942812	0.783072966
arabitol/xylitol	1	0.929276733	1.814097005	2.255376851	5.62199946	4.159505806	0.983579062	1.373747437	2.031673358	1.901495946	0.896458333	2.863414699	0.558901927	1.15180695	2.41829526	2.223409262	7.007737875	5.189533375	1.058646478	1.830269076	2.777884244	0.969016776	0.117126251	0.05294744	0.351943581	1.289253372	1.679861903	1.739453885	0.088447386	0.249224174	0.955855694	0.748609462	0.672028225	0.110856675	0.097163281	0.191698153	0.890814334	0.589467518	1.125283346	0.092985679	0.114242313	1.506467131	1.931485764	1.768376542	2.798938009	5.798845536	3.450452711	1.793818392	1.694380412	1.970413064	1.546559458	4.420824852	2.653153671	0.364480989	0.896023728	0.947261773	3.655224073	0.106775352	0.048227691	0.44835582	0.625271846	0.786915149	1.282777755	0.149966382	0.123102707	0.152955799	0.923430342	2.031430836	0.755416267	0.169696346	0.075830195
citraconate/glutaconate	0.892860499	0.608989708	1	2.582488303	3.421840492	1.456533022	0.870863779	0.770479377	2.763811017	1.950899033	1.095669614	2.492477977	1.218614544	0.99592034	2.365061612	2.755552429	4.159708612	2.083564117	2.104099273	2.10811966	2.859743742	1.338848376	0.67118886	0.677605674	0.749362101	0.50195044	1.903028808	2.379045506	0.819607329	0.851875	0.535029128	0.725038346	0.915002267	0.847601622	0.796325415	0.627669115	0.594812577	1.179943552	1.261513618	1.676643345	1.40248307	0.935011201	0.998025707	1.098274216	2.775438963	6.496182728	2.918850621	0.722842867	0.933992009	1.639139002	0.991495167	3.813244004	1.584073231	0.722803352	0.539266847	1.476458589	4.02382452	0.580460039	0.627183854	1.12258496	0.998781788	0.78906337	1.707585825	0.920221591	0.976666042	0.372593996	0.87142325	2.635701216	1.477055648	0.748719745	0.947115253
linoleoyl ethanolamide	0.998952814	1.007694903	6.759439329	0.610003235	0.551531573	0.437686886	0.995096363	0.792077015	3.989653672	0.836297899	0.12640169	0.390011995	1.247768672	0.809771645	3.868057315	3.76523462	0.346937523	0.331911394	1.093405404	3.345591272	6.65786458	4.08593203	0.411803066	0.608498684	0.501881381	0.418645544	5.419992717	3.97609148	0.377295306	0.537959229	0.416922233	2.436195258	6.925205803	0.450134048	1.183855703	1.30629387	1.247183466	2.32083402	4.825694043	0.373119484	0.554040389	1.813333186	2.862718927	2.965944067	0.935577976	0.12640169	0.625886866	1.31664666	0.796981113	2.431526533	2.230375413	0.208373889	0.310728604	0.937347439	1.981589092	5.896977929	8.202098157	0.199399195	0.713369599	1.262532658	3.92410508	1.868986814	4.636822092	0.55607661	1.001047186	0.620489865	0.889726084	3.158223873	4.407999228	0.406402373	0.851492021
2-hydroxybutyrate/2-hydroxyisobutyrate	0.526715865	0.903597792	0.486718415	0.283629701	1.031495067	0.576346877	0.371911024	1.030820546	0.598842945	0.437983593	0.280483524	0.289905881	0.717174206	1.238820226	0.584427804	0.303502845	0.817698696	0.523731421	2.648660425	1.275250044	0.644001572	1.097999557	1.918790201	1.018808563	1.812941851	1.544116402	1.134742374	1.246649041	1	4.128772534	1.935679853	1.423424795	1.627085282	1.704835903	2.148600013	0.578034605	1.350610826	0.808374329	0.598475717	1.522303416	1.040619646	1.232578295	0.850357287	0.484245807	0.430293678	0.730805419	0.3378739	0.555471941	1.112700109	0.477981043	0.454349991	0.576540956	0.433644399	1.357909728	1.44243695	0.772419245	0.790590391	1.104689583	1.102855343	0.881756265	1.450340923	1.112389962	1.440232629	1.317317673	1.943125266	0.365710002	1.502940206	0.945786245	1.501152583	1.478010535	0.858781658
isocitric lactone	0.174027254	0.163765481	1	5.036716027	2.125747378	0.600996713	0.41365419	0.710979509	2.742971801	2.520097388	1.150902619	7.454278117	0.610989187	1.089947164	4.041075219	6.187369954	8.17535523	3.669744577	1.401045727	5.256901904	7.802389995	1.023670336	0.056679113	0.039765206	0.102708656	0.178205011	3.211651713	3.427692835	0.080268269	0.035361315	0.146411004	0.22858776	0.552559073	0.063089658	0.060649813	0.01965271	0.094359687	0.437675144	2.251347853	0.064815038	0.040930823	2.034975608	2.526750357	2.004404865	7.070494827	21.64416937	10.08476838	1.320827447	1.213893412	1.943712443	1.95017242	14.89750954	6.64852801	0.140348153	0.216305826	1.653291848	6.199808956	0.039630974	0.029514712	0.362919292	0.808154445	0.51321355	1.718276764	0.08825562	0.048346574	0.022187519	0.403530548	3.920873398	1.053835459	0.057949302	0.042863677
ascorbic acid 2-sulfate	0.063717844	1	2.173408083	1.818863554	2.778710947	2.130666944	0.283958552	0.78182463	5.353727407	5.135122901	0.416473327	1.499858914	0.063717844	0.370095311	1.51029142	2.681747817	2.829725196	1.988084134	0.063717844	0.214501262	0.39146784	0.715653462	0.063717844	0.063717844	0.063717844	0.262184321	0.514482842	0.767921807	0.063717844	0.063717844	0.472262937	1.208287611	0.597157122	0.063717844	0.084110611	0.204678168	0.698995548	1.924960026	0.865954837	1.280443166	1.347647003	0.063717844	0.755359298	1.350523585	1.551676569	1.55591306	0.793246696	1.250252779	1.493778511	4.607426988	3.110828722	5.039652929	2.81628874	0.063717844	0.322392657	0.824928281	1.081855199	0.063717844	0.063717844	0.063717844	0.699250286	0.720221113	1.088376495	0.063717844	0.063717844	0.063717844	0.464818705	0.723746296	0.820256776	0.063717844	0.063717844
caffeic acid sulfate	0.01289012	0.41275022	1.407357066	3.244216175	2.405697146	0.64142721	1.538911313	0.643778823	3.239781964	3.4120379	1.392927096	4.852233289	0.522843228	0.549145297	1.949602802	3.673235579	4.65482472	1.731010851	0.01289012	0.563558177	1.287718232	0.426603262	0.01289012	0.01289012	0.01289012	0.130466983	0.484936309	0.676012817	0.01289012	0.01289012	0.111542988	0.236843551	0.533020492	0.01289012	0.01289012	0.01289012	0.20618447	0.797728355	0.971703582	0.01289012	0.01289012	0.809177334	1.028296418	1.37375972	2.181064838	5.4889667	3.44620245	2.795544987	1.328681277	3.490478262	2.219741093	11.15551958	6.96513138	0.01289012	0.170868717	0.605411364	1.221980297	0.01289012	0.01289012	0.16569935	0.649411382	0.491380338	1.292086146	0.01289012	0.01289012	0.01289012	0.200571653	0.434647543	0.567322055	0.01289012	0.01289012
2,3-dihydroxy-2-methylbutyrate	0.78928908	0.304691938	0.763235953	0.246475672	11.51351166	8.555369312	0.392685956	0.246475672	1.256895425	0.501784761	0.589481408	2.410119601	0.246475672	0.246475672	0.972679302	0.246475672	11.8471577	6.248208553	1.278194894	0.655416485	3.423311965	1.887351996	0.562422782	0.320240806	0.597497591	0.246475672	2.239233938	2.573357052	1.000955224	0.626004563	0.246475672	0.246475672	0.628852051	0.458747255	1.033077715	0.246475672	0.246475672	0.246475672	0.246475672	0.628785731	0.246475672	1.063679122	0.661423808	0.582943524	0.489126168	6.637505763	3.737061953	1.770797521	0.720930108	1.522593247	0.246475672	6.002997243	2.883183453	0.270569145	0.246475672	0.999044776	1.825184333	0.246475672	0.246475672	0.611803491	0.976979416	0.967433592	2.755904366	1.693834043	1.140734592	0.246475672	0.246475672	2.362328437	1.215877475	0.488353859	0.246475672
2-hydroxybehenate	0.427622956	0.796105465	0.88827482	0.326526612	2.246961344	2.440328821	0.774735371	1.048713615	0.431258145	0.900486429	0.39950601	1.943165861	0.145399127	0.366116998	1.078791398	0.495309223	2.396025373	2.260779896	2.323422931	0.727455521	0.866135957	1.007540012	5.440716864	6.348657049	1.560505583	0.616486249	0.941783761	0.211588212	5.635844949	0.582042424	0.882218906	1.520360849	3.012503196	2.995494707	1.095431357	1.783838421	2.415941525	2.168835385	0.467996524	3.44452124	3.650361534	0.938546372	1.563699067	0.658597585	0.299495522	0.360937397	0.580837938	1.719751643	1.166348139	0.17969239	1.311544818	0.64721395	0.989851007	0.591035714	1.451604692	0.779038216	0.218885198	5.989715746	2.098836159	0.590996244	1.199808772	0.864279558	0.455457185	2.513231497	1.497240126	0.682825895	1.00581067	1	0.437263058	4.911006169	4.59339546
2-hydroxynervonate*	0.677856787	0.419559739	1.517712928	1.196771569	1.107476052	1.170658766	1.432426227	0.570191554	0.819083448	2.074362976	0.190294178	1.046045602	0.363486238	0.207139612	0.907654163	1.300055773	1.347666656	1.335414419	0.935380859	0.350633514	0.4034271	1.502659879	2.623695447	3.434685268	2.642469881	0.285739826	0.510870207	0.702762171	3.038337072	1.213796227	0.42619073	0.61016668	3.024789269	1.35140283	1.47955918	1.53170879	1.122161575	1	1.382386744	1.582422706	1.670207998	0.458457325	0.905323081	1.514313531	0.985505854	0.491737325	0.567368632	1.215602815	0.525322182	0.791830437	2.190764787	0.78410331	0.9922042	1.361076087	0.563126853	0.856971875	0.6360146	2.405120063	2.022813414	0.494846215	0.621743166	0.842741587	1.532085101	1.014724033	1.190140285	0.466049594	0.64793987	0.762774351	0.918658129	2.345264704	2.491204486
2-hydroxyarachidate*	0.912257269	0.297279872	0.238967169	0.121276777	1.442567546	1.741499541	1	0.121276777	0.121276777	0.63670102	0.277637751	1.886183617	0.980210181	0.238312812	1.595803066	0.470573172	1.324252978	1.736155403	4.196761874	0.632192775	0.721952076	0.121276777	6.559994549	6.39031827	1.827827473	0.121276777	0.489405921	0.121276777	5.442790237	0.993141834	0.240149674	0.515359311	1.90071938	3.547307536	1.115124639	1.953342247	0.549226707	0.860442402	0.206756012	2.706745037	2.504708987	2.914465435	0.907725703	0.121276777	0.121276777	0.240157448	0.59074015	2.234795019	0.121276777	0.121276777	0.876282305	0.433671318	1.006309897	0.78111942	0.630685149	0.379424221	0.121276777	5.924307301	2.475946576	1.966144492	1.205904571	0.181064182	0.121276777	3.501577589	1.673176239	1.20741174	0.121276777	0.300456998	0.258548472	5.551471456	4.733909283
2-hydroxylignocerate*	0.468656624	0.98844083	0.765234893	0.299880272	3.832265228	3.627334391	0.899411583	0.942914709	0.264309978	0.550496163	0.817107969	3.11733069	0.126658118	0.371117903	1.033780631	0.42408604	3.765623059	3.088153284	2.216774016	0.523959584	1.348098329	0.614361	3.055633548	4.511004955	1.137741569	0.588044382	1.176685031	0.185120323	4.042847771	0.369807409	0.772141024	1.668297613	1.749219138	1.779503466	0.831686429	1.872144603	1.503699443	2.424384281	0.488088245	3.433226933	3.892883698	1.480865758	1.673239621	0.511007543	0.235185621	0.586908563	0.761134991	1.455417771	1.442814432	0.123553432	1.028373901	0.90698881	1.174740963	0.495409714	1.07528858	0.603876836	0.181971429	4.607918513	1.44514106	0.666751201	1.46961518	1	0.350609767	1.087071162	1.283473763	0.839834477	0.464027738	0.873511165	0.484120751	2.998734146	3.543260522
lyxonate	0.353090306	1.627131493	0.492713106	1.592324224	3.127039808	1.715128307	0.695006322	1.538482727	0.93058433	1.122820691	0.806514474	2.834011675	0.446159102	2.777557722	2.012468514	1.743561942	4.826925445	2.806894984	1.016908779	3.297578665	3.588603223	0.457102828	0.096705671	0.074314693	0.126374698	2.06194589	1.383592636	1.588759106	0.121160168	0.13563717	1.714077219	0.682007849	0.280770562	0.164843141	0.120042675	0.210440417	1.215222477	0.512074773	0.764368745	0.195102861	0.131243486	1.657131291	1.480521852	0.702852665	1.657059008	7.794019614	3.135242947	1.785332454	2.421525973	1	0.896849582	6.783377652	3.282581354	0.172598838	2.409824707	1.114274881	2.307144831	0.090510056	0.061354291	0.192787462	1.100575654	0.925521617	0.538649165	0.211524284	0.21566872	0.077150577	1.701478467	1.517044149	0.522526261	0.168454051	0.093517466
ascorbic acid 3-sulfate*	0.137286736	1.244470854	2.574727283	2.851751941	5.097043144	3.109865969	0.693507728	1.309983436	8.591415219	8.463556662	0.397497723	1.613264506	0.676040963	0.662357355	2.624603665	4.91212642	2.807215923	1.800291577	0.029238849	0.711291815	0.847377832	1.642559167	0.007079116	0.011613876	0.211258256	0.511736444	0.841383831	1.519194663	0.005480933	0.081410291	0.737465459	1.304140044	1.729235285	0.008522258	0.046510681	0.316664273	0.891595716	2.355336275	1.458391693	0.731618901	0.700176896	0.175734135	1	1.53820778	1.936984286	1.845083949	0.826477433	2.074030045	2.865493441	7.373953736	3.346791946	7.995115989	3.577066847	0.250972949	0.582177994	1.358417581	3.453040203	0.005292784	0.005292784	0.283998574	1.565023756	1.572561034	3.308820619	0.027806653	0.034562117	0.061894146	0.547818952	0.949426561	1.598440695	0.005292784	0.011319531
2,6-dihydroxybenzoic acid	8.543147212	0.610164104	0.823763617	0.096159937	0.171495685	0.45333891	3.237402168	1.10433181	2.714762444	0.210008811	0.028611162	0.028611162	21.30162442	2.208063146	3.25158977	0.218381366	0.053120512	0.212691744	22.88516614	5.116056758	3.513816421	0.902033934	1.104026085	0.480984294	4.073609186	0.364303151	3.092082427	1	1.039331528	3.735280514	0.229342785	0.930563177	0.713590498	1.034252181	1.116173953	2.193269189	0.313635494	0.91504763	0.951507303	0.97303505	0.806999693	14.16194374	1.523630587	0.765340343	0.181242827	0.055879093	0.032518955	3.952616928	0.968175198	1.127941232	0.108939636	0.028611162	0.043292236	8.144662041	1.328239353	2.699956336	1.318777946	0.703202117	0.535067056	19.79114902	3.744090883	0.51698969	1.000287695	1.479398835	1.763534605	4.794753836	1.380716275	5.456783804	0.898353475	0.815802223	0.715238277
vitamin D3 sulfate	0.710451039	1.982929226	1.356990577	0.673897929	0.986005249	0.902016219	0.835020999	1.399567458	1.067315907	1.852981998	0.32330312	1.109867133	0.367999097	1.37055176	1.703465208	1.500150081	1.015682844	1.013994751	0.356408211	0.888049688	1.379941456	4.942422695	1.016508932	1.317122854	0.965912327	1.955457953	1.078952972	1.519401522	0.543452996	0.676350538	1.633960938	1.933651283	3.964031822	0.49441621	0.815256459	0.966312543	1.470564844	1.796648956	2.267431867	0.713893927	0.649664306	0.32330312	0.889435053	0.761191311	0.655641899	0.77907278	0.656688619	0.768697937	1.199197515	0.912529599	0.960878834	1.195077337	0.75485968	1.258491132	1.542142031	1.528026702	1.47159104	0.706197456	0.807698524	0.577866487	0.925741876	1.775042395	1.493248912	0.463342988	0.618401238	0.490224198	1.228813538	1.315291093	1.476501389	0.568389565	0.625225442
succinoyltaurine	0.278751635	0.162991956	1.198658761	1.288940996	4.839905666	2.748592852	0.314984234	0.188478806	1.511019429	1.392569974	0.38175651	1.898214553	0.064697575	0.071365398	0.459540504	1.137296696	4.462997712	2.620796708	0.173240943	0.292926755	0.937648925	1.470450084	2.565308324	2.02830754	0.387475576	0.097394529	1	1.766245682	3.064655442	0.551990359	0.230085689	1.033305633	0.603093656	2.033160047	1.917912741	0.472421709	0.237751739	0.591751454	0.906530851	2.790864656	2.503808572	0.44807792	0.373910265	0.588502844	1.362735656	4.120238814	1.850739632	0.913795127	0.5506466	1.52307903	0.98701647	4.098737536	1.730790674	0.501391724	0.218779225	0.813138634	1.573651519	1.894036936	2.028761793	0.10048984	0.199521935	0.182193571	1.123026212	2.700963504	1.712585029	0.03429991	0.078141376	0.793525089	1.330602991	1.623221456	1.963791666
3,5-dihydroxyphenylpropionate	0.651407089	0.065015311	0.218648395	0.065015311	4.876247764	3.476726799	0.874300094	0.065015311	0.065015311	0.065015311	0.397210684	1.743441167	0.065015311	0.065015311	0.065015311	0.065015311	2.283227117	2.04632447	0.37021981	0.065015311	0.065015311	0.87442622	1.129944517	0.547683352	0.717276173	0.065015311	0.447321347	1.089594033	3.59119789	0.633356578	0.065015311	0.520095807	0.360263166	2.641178789	5.961572932	0.640303186	0.065015311	0.065015311	0.065015311	3.837215535	2.488913683	0.297178547	0.065015311	0.065015311	0.124439863	1.955193888	1.184217324	0.647664554	0.078804232	0.065015311	0.179510657	2.336088288	1.275282418	3.647850105	0.555643817	1.583523633	0.910405967	9.575301216	10.30809569	0.37635873	0.065015311	0.355800261	1.391053573	3.084655732	4.186593093	0.065015311	0.065015311	0.231268229	0.516561865	1.99289816	2.284093018
2-hydroxy-4-(methylthio)butanoic acid	0.932674031	0.059403749	0.059403749	0.059403749	0.751699849	0.353265828	0.256662268	0.059403749	0.059403749	0.059403749	0.059403749	0.059403749	1.154375346	0.059403749	0.059403749	0.059403749	0.883544049	0.391513789	7.299082462	0.059403749	0.156993005	0.059403749	1.997379626	1.528024428	9.326034301	0.317630095	0.339114449	0.537607123	1.950787198	4.868533242	0.257863838	0.059403749	0.147539292	1.474124822	2.159531917	0.443281795	0.059403749	0.059403749	0.059403749	1.818736627	1.59436606	1.067325969	0.059403749	0.059403749	0.059403749	0.600739136	0.272433391	0.24274713	0.059403749	0.059403749	0.059403749	0.059403749	0.059403749	10.63455011	0.413858929	0.059403749	0.245142125	1.87563948	1.883450368	6.155902766	0.497615867	0.059403749	0.373684382	1.932528756	1.764724331	1.274505252	0.059403749	0.059403749	0.059403749	1.460397048	1.109820837
pentose acid*	0.539685415	0.182081138	1.012808584	3.888126843	6.502493413	4.666708236	1.201575589	0.526564235	2.846136734	3.148946517	2.279589622	6.766718426	0.675057017	0.521472605	1.622172571	4.190631234	9.755331377	6.52325551	2.057683331	2.098192403	3.921095395	0.629566666	0.040214979	0.031973592	0.132834495	0.094481931	1.447715297	1.940067176	0.046939668	0.041902928	0.032660621	0.117170558	0.396055581	0.038918877	0.021043025	0.423120976	0.187921838	0.472213316	1.667521578	1.618825284	1.543175343	2.208617436	1.188687392	1.861495382	4.568130568	11.85148286	6.365638959	2.448052721	1.014883249	2.287011498	1.936366708	9.535819189	5.139918429	0.190924186	0.107006736	0.778245161	3.952776191	0.033769507	0.018357783	0.331941446	0.297900808	0.351509032	1	0.054290639	0.036311642	0.023176415	0.142429258	1.791373494	0.572876533	0.033028107	0.027404322
25-hydroxycholesterol sulfate	1.376470225	1.725478053	1.818594895	1.031783205	0.777735859	1.384668133	1	0.811123054	1.308177265	0.931972789	0.145161099	0.70074671	0.485299526	0.930245415	1.520910003	0.919515766	0.639142577	1.198522241	0.599678727	0.455855869	0.657111537	1.393943277	1.539415208	2.289854763	1.401892044	1.228703829	0.904149731	1.013413248	1.463273136	1.047405499	0.56635797	1.402032037	0.991614644	0.966330446	1.432984774	1.472647936	0.8994825	1.557267902	0.957527483	1.529345188	1.523681394	0.507465909	1.217210149	1.208547179	0.841575137	0.26608439	0.664094588	1.259941298	1.120166378	1.338626975	1.148499581	0.558468522	0.593241412	1.905027655	0.733742398	1.065761219	1.761181068	1.656074638	2.215729543	0.463629051	0.730031392	0.884564918	0.625589336	0.79378525	0.853351177	0.145161099	0.606021132	0.145161099	0.848354131	0.942396352	1.268079886
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	HMDB	KEGG	PUBCHEM
mevalonate	HMDB0000227	C02104	449
alpha-ketoglutarate	HMDB0000208	C00026	51
uridine 3'-monophosphate (3'-UMP)	HMDB0060282	C01368	101543
3-hydroxyisobutyrate	HMDB0000023,HMDB0000336	C01188,C06001	11966314
3-hydroxy-3-methylglutarate	HMDB0000355	C03761	1662,5459993
hypoxanthine	HMDB0000157	C00262	790,135398638
allantoic acid	HMDB0001209	C00499	203
phenylpyruvate	HMDB0000205	C00166	997
succinate	HMDB0000254	C00042	1110
3-hydroxybutyrate (BHBA)	HMDB0000442,HMDB0000357,HMDB0000011	C03197,C01089	94318,441,92135
glucose 6-phosphate	HMDB0001401	C00092	5958
fumarate	HMDB0000134	C00122	444972
gluconate	HMDB0000625	C00257	10690,3085666
glutarate (C5-DC)	HMDB0000661	C00489	743,4418048
myo-inositol	HMDB0000211	C00137	892
inositol 1-phosphate (I1P)	HMDB0000213	C01177	440194
2-aminoadipate	HMDB0000510	C00956	92136
3-sulfo-alanine	HMDB0002757	C00506	72886
methylmalonate (MMA)	HMDB0000202	C02170	487
orotate	HMDB0000226	C00295	967
lactate	HMDB0000190	C00186	612
salicylate	HMDB0001895	C00805	338
glucose	HMDB0000122	C00031	5793
mannose	HMDB0000169	C00159,C02209,C00936	82308,439680,185698,18950
malonate	HMDB0000691	C00383	867
pyruvate	HMDB0000243	C00022	1060
xylose	HMDB0000098	C00181	135191
arabinose	HMDB0029942	C00216	66308
fructose	HMDB0000660	C00095	2723872
ribose	HMDB0000283	C00121	5779
fucose	HMDB0000174,HMDB0029196	C01019,C01018	19466,17106
dihydroorotate	HMDB03349	C00337	648
stachyose	HMDB0003553	C01613	439531
sucrose	HMDB0000258	C00089	5988
allantoin	HMDB0000462	C02348,C01551,C02350	439714,204,439713
glucarate (saccharate)	HMDB0000663	C00818	33037
glycerate	HMDB0000139,HMDB0006372	C00258	439194,752
N-carbamoylaspartate	HMDB0000828	C00438	93072
N-acetylalanine	HMDB0000766	C02847	88064
4-acetamidobutanoate	HMDB0003681	C02946	18189
N-acetyl-glucosamine 1-phosphate	HMDB0001367	C04256	440364
beta-hydroxyisovalerate	HMDB0000754	0	69362
methylsuccinate	HMDB0001844	0	10349
ethylmalonate	HMDB0000622	0	11756
suberate (C8-DC)	HMDB0000893	C08278	10457
pimelate (C7-DC)	HMDB0000857	C02656	385
glucuronate	HMDB0000127	C16245	441478,23677976,94715,65041,444791
ribitol	HMDB0002917,HMDB0001851,HMDB0000568,HMDB0000508	C00379,C01904,C00474,C00532	6912
2-isopropylmalate	HMDB0000402	C02504	77
quinate	HMDB0003072	C00296	6508
maleate	HMDB0000176	C01384	444266
galactarate (mucic acid)	HMDB0000639	C00879	3037582
N-acetylglycine	HMDB0000532	0	10972
ribonate	HMDB0000867	C01685	5460677
threonate	HMDB0062620,HMDB0000943	C01620	151152,5460407
galactonate	HMDB0000565	C00880,C15930	12310779,128869
gamma-glutamylvaline	HMDB0011172	0	7015683
3-hydroxysuberate	HMDB0000325	0	22328017
2-hydroxyadipate	HMDB0000321	C02360	193530
N-acetylglutamine	HMDB0006029	C02716	182230
alpha-hydroxyisovalerate	HMDB0000407	0	99823
erythronate*	HMDB0000613	0	2781043
orotidine	HMDB0000788	0	92751
N-glycolylneuraminate	HMDB0000833	C03410	123802
gulonate*	HMDB0003290	C00800	152304
cholesterol sulfate	HMDB00653	C18043	65076
4-hydroxycinnamate	HMDB0002035	C00811	637542
3,4-dihydroxybutyrate	HMDB0000337	0	150929
mannitol/sorbitol	HMDB0000247,HMDB0000765	C00392,C00794	5780,6251
chiro-inositol	HMDB0240209	C19891	0
2S,3R-dihydroxybutyrate	HMDB0002453	0	10964471
2R,3R-dihydroxybutyrate	HMDB0000498	0	13120901
2,3-dihydroxyisovalerate	HMDB0012141	C04039	677
hydantoin-5-propionate	HMDB0001212	C05565	782
pantoate	HMDB0240389	C00522	5289105
sedoheptulose	HMDB0003219	C02076	5459879
galactosylglycerol	HMDB0006790	C05401	16048618
2-O-methylascorbic acid	HMDB0240294	0	54726398
mannonate*	0	0	3246006
3-hydroxyadipate	HMDB0000345	0	151913
6-oxopiperidine-2-carboxylate	HMDB0061705	0	3014237
N-formylanthranilic acid	HMDB0004089	C05653	101399
2-keto-3-deoxy-gluconate	HMDB0001353	C00204	161227
arabonate/xylonate	HMDB0000539	C00502,C05411	122045,6602431
ribulose/xylulose	HMDB0000621,HMDB0000751,HMDB0001644,HMDB0003371	0	5289590,151261
arabitol/xylitol	HMDB0001851,HMDB0000568,HMDB0002917	C00379,C00542,C01904	94154,6912
citraconate/glutaconate	HMDB0000634,HMDB0000620	C02226,C02214	5280498,643798
linoleoyl ethanolamide	HMDB0012252	0	5283446
2-hydroxybutyrate/2-hydroxyisobutyrate	HMDB0000729,HMDB00008	C21297,C05984	440864,4277439
isocitric lactone	0	0	98259
ascorbic acid 2-sulfate	HMDB0060649	0	54676864
caffeic acid sulfate	HMDB0041708	0	21668705
2,3-dihydroxy-2-methylbutyrate	HMDB0029576	0	301941
2-hydroxybehenate	HMDB0061660	0	193484
2-hydroxynervonate*	0	0	5312783
2-hydroxyarachidate*	0	0	5225199
2-hydroxylignocerate*	HMDB0039540	C17873	102430
lyxonate	HMDB0060255	0	0
ascorbic acid 3-sulfate*	0	0	11425365
2,6-dihydroxybenzoic acid	HMDB0013676	0	9338
vitamin D3 sulfate	0	0	71752977
succinoyltaurine	0	0	0
3,5-dihydroxyphenylpropionate	HMDB0125533	0	161525
2-hydroxy-4-(methylthio)butanoic acid	HMDB0037115	0	11427
pentose acid*	HMDB0000892	C00803	7991
25-hydroxycholesterol sulfate	0	0	11705729
METABOLITES_END
#END