#METABOLOMICS WORKBENCH spinelli_lab_20240514_125536 DATATRACK_ID:4843 STUDY_ID:ST003214 ANALYSIS_ID:AN005271 PROJECT_ID:PR001988
VERSION             	1
CREATED_ON             	May 21, 2024, 11:49 am
#PROJECT
PR:PROJECT_TITLE                 	Rhodoquinone is an Electron Carrier in the Mammalian Electron Transport Chain
PR:PROJECT_SUMMARY               	Ubiquinone (UQ), the only known electron carrier in the mammalian electron
PR:PROJECT_SUMMARY               	transport chain (ETC), delivers electrons to both oxygen (O2) and fumarate as
PR:PROJECT_SUMMARY               	terminal electron acceptors. As fumarate has a lower reduction potential than
PR:PROJECT_SUMMARY               	UQ, fumarate reduction is only thermodynamically favorable when ubiquinol, the
PR:PROJECT_SUMMARY               	reduced form of UQ, accumulates. Paradoxically, some tissues reduce fumarate
PR:PROJECT_SUMMARY               	without ubiquinol buildup, suggesting another mechanism enables fumarate
PR:PROJECT_SUMMARY               	reduction in mammals. Here, we identify rhodoquinone (RQ), a novel component of
PR:PROJECT_SUMMARY               	the mammalian ETC that carries electrons to fumarate, instead of O2, as the
PR:PROJECT_SUMMARY               	terminal electron acceptor. RQ, which is undetectable in cultured mammalian
PR:PROJECT_SUMMARY               	cells, is enriched in mitochondria from mouse and human tissues that catalyze
PR:PROJECT_SUMMARY               	high levels of fumarate reduction. UQ and RQ-directed ETC circuits support
PR:PROJECT_SUMMARY               	unique programs of mitochondrial function. Through expression of a bacterial
PR:PROJECT_SUMMARY               	enzyme that converts UQ into RQ and development of a novel RQ analog, we
PR:PROJECT_SUMMARY               	demonstrate that reprogramming the mammalian ETC from the UQ to RQ circuit
PR:PROJECT_SUMMARY               	renders cells highly resistant to hypoxia exposure in vitro and in vivo. Thus,
PR:PROJECT_SUMMARY               	we establish RQ as a fundamental component of the mammalian ETC and unveil that
PR:PROJECT_SUMMARY               	reprogramming the ETC to the RQ-circuit is a tractable strategy to ameliorate
PR:PROJECT_SUMMARY               	hypoxia-related conditions.
PR:INSTITUTE                     	UMass Chan Medical School
PR:LAST_NAME                     	UMass Chan
PR:FIRST_NAME                    	Spinelli Lab
PR:ADDRESS                       	55 Lake Avenue North, Worcester, Massachusetts, 01605, USA
PR:EMAIL                         	spinellilab@gmail.com
PR:PHONE                         	(508) 856-8989 ext. 68148
#STUDY
ST:STUDY_TITLE                   	Glutamine Tracing Assay in RquA AAV Injected Mice with a Standard Curve
ST:STUDY_SUMMARY                 	The extraction of RquA AAV injected livers from C57BL/6 mice. Metabolites from
ST:STUDY_SUMMARY                 	the liver were used to measure fumarate reduction and succinate oxidation.
ST:STUDY_SUMMARY                 	Glutamine tracing was used to determine forward and reverse direction of the TCA
ST:STUDY_SUMMARY                 	cycle. Standards were used to create a standard curve by diluting down a stock
ST:STUDY_SUMMARY                 	of fumarate and succinate standard mixture. The standard curve was used to
ST:STUDY_SUMMARY                 	determine picomoles of metabolites in the TCA cycle.
ST:INSTITUTE                     	UMass Chan Medical School
ST:LAST_NAME                     	UMass Chan
ST:FIRST_NAME                    	Spinelli Lab
ST:ADDRESS                       	55 Lake Avenue North, Worcester, Massachusetts, 01605, USA
ST:EMAIL                         	spinellilab@gmail.com
ST:PHONE                         	(508) 856-8989 ext. 68148
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#FACTORS
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	Standard 2	Sample source:Succinate and Fumarate Reagent Mixture | Standards for Standard Curve and Treatment:Measurable Standard Curve	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar01
SUBJECT_SAMPLE_FACTORS           	-	Standard 3	Sample source:Succinate and Fumarate Reagent Mixture | Standards for Standard Curve and Treatment:Measurable Standard Curve	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar02
SUBJECT_SAMPLE_FACTORS           	-	Standard 4	Sample source:Succinate and Fumarate Reagent Mixture | Standards for Standard Curve and Treatment:Measurable Standard Curve	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar03
SUBJECT_SAMPLE_FACTORS           	-	Standard 5	Sample source:Succinate and Fumarate Reagent Mixture | Standards for Standard Curve and Treatment:Measurable Standard Curve	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar04
SUBJECT_SAMPLE_FACTORS           	-	Standard 6	Sample source:Succinate and Fumarate Reagent Mixture | Standards for Standard Curve and Treatment:Measurable Standard Curve	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar05
SUBJECT_SAMPLE_FACTORS           	-	Standard 7	Sample source:Succinate and Fumarate Reagent Mixture | Standards for Standard Curve and Treatment:Measurable Standard Curve	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar06
SUBJECT_SAMPLE_FACTORS           	-	Standard 8	Sample source:Succinate and Fumarate Reagent Mixture | Standards for Standard Curve and Treatment:Measurable Standard Curve	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar07
SUBJECT_SAMPLE_FACTORS           	-	Liver 1	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:RquA AAV injected	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar08
SUBJECT_SAMPLE_FACTORS           	-	Liver 2	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:RquA AAV injected	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar09
SUBJECT_SAMPLE_FACTORS           	-	Liver 3	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:RquA AAV injected	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar10
SUBJECT_SAMPLE_FACTORS           	-	Liver 4	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:RquA AAV injected	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar11
SUBJECT_SAMPLE_FACTORS           	-	Liver 5	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:RquA AAV injected	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar12
SUBJECT_SAMPLE_FACTORS           	-	Liver 6	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:RquA AAV injected	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar13
SUBJECT_SAMPLE_FACTORS           	-	Liver 7	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:Vehicle	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar14
SUBJECT_SAMPLE_FACTORS           	-	Liver 8	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:Vehicle	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar15
SUBJECT_SAMPLE_FACTORS           	-	Liver 9	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:Vehicle	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar16
SUBJECT_SAMPLE_FACTORS           	-	Liver 10	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:Vehicle	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar17
SUBJECT_SAMPLE_FACTORS           	-	Liver 11	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:Vehicle	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar18
SUBJECT_SAMPLE_FACTORS           	-	Liver 12	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:Vehicle	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar19
SUBJECT_SAMPLE_FACTORS           	-	Liver 13	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:Vehicle	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar20
SUBJECT_SAMPLE_FACTORS           	-	Liver 15	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:Vehicle	RAW_FILE_NAME(File Name )=RquA_AAV_mouse_polar21
#COLLECTION
CO:COLLECTION_SUMMARY            	13C515N2-glutamine (Cambridge Isotope labs) was resuspended to 50 mg/mL in 1X
CO:COLLECTION_SUMMARY            	PBS. C57BL/6 mice between the ages of 10-16 weeks were weighed to allow
CO:COLLECTION_SUMMARY            	injection of 0.75 g/kg intraperitoneally and 0.2 g/kg intravenously via the tail
CO:COLLECTION_SUMMARY            	vein. Mice were injected with the respective amounts of 13C515N2-glutamine, were
CO:COLLECTION_SUMMARY            	sacrificed after 45 minutes, and tissues were harvested and flash frozen in
CO:COLLECTION_SUMMARY            	Liquid Nitrogen. Samples were stored at -80°C until their extraction and run on
CO:COLLECTION_SUMMARY            	the polar LC-MS method.
CO:SAMPLE_TYPE                   	Mouse Liver
#TREATMENT
TR:TREATMENT_SUMMARY             	Adeno-associated viruses (AAVs) were used for expression of RquA in mice.
TR:TREATMENT_SUMMARY             	Briefly, rAAV was produced by transient HEK 293 cell transfection and CsCl
TR:TREATMENT_SUMMARY             	sedimentation by the University of Massachusetts Medical School Viral Vector
TR:TREATMENT_SUMMARY             	Core. Vector genome titers of the rAAV preparations for control virus
TR:TREATMENT_SUMMARY             	(AAV9.Tre3G-mCherry SV40 CB6 Tet-on 3G RBG) and RquA virus (AAV9.Tre3G-RquA SV40
TR:TREATMENT_SUMMARY             	CB6 Tet-on 3G RBG) were determined by ddPCR, and purity was assessed by 4%–12%
TR:TREATMENT_SUMMARY             	SDS-acrylamide gel electrophoresis and silver staining (Invitrogen). Mice were
TR:TREATMENT_SUMMARY             	intravenously injected with 6 X 10^11 genome copies of either virus and given 1
TR:TREATMENT_SUMMARY             	mg/mL doxycycline in the drinking water for 7 days to induce either mCherry or
TR:TREATMENT_SUMMARY             	RquA expression.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Tissues were flash frozen in liquid nitrogen and powderized using a mortar and
SP:SAMPLEPREP_SUMMARY            	pestle. Approximately 10 mg of tissue powder was transferred into an Eppendorf
SP:SAMPLEPREP_SUMMARY            	tube. The tissue powder was re-suspended in 800 µL pre-cooled HPLC-grade 60:40
SP:SAMPLEPREP_SUMMARY            	Methanol:Water (Sigma) and then vortexed for 15 minutes at 4°C. 500 µL of
SP:SAMPLEPREP_SUMMARY            	pre-cooled LC-MS grade chloroform (Sigma) was added to the lysate and again
SP:SAMPLEPREP_SUMMARY            	vortexed for 15 minutes at 4°C. Samples were then centrifuged at 16,000 x g for
SP:SAMPLEPREP_SUMMARY            	10 minutes at 4°C, creating three layers: the top layer containing polar
SP:SAMPLEPREP_SUMMARY            	metabolites, the middle layer containing protein, and the bottom layer
SP:SAMPLEPREP_SUMMARY            	containing non-polar metabolites. The top layer was transferred into a new
SP:SAMPLEPREP_SUMMARY            	Eppendorf tube, dried down in a Refrigerated CentriVap Benchtop Vacuum
SP:SAMPLEPREP_SUMMARY            	Concentrator connected to a CentriVap-105 Cold Trap (Labconco), and stored at
SP:SAMPLEPREP_SUMMARY            	-80°C until they were re-suspended for LC-MS analysis. The non-polar layer was
SP:SAMPLEPREP_SUMMARY            	discarded, and the remaining protein layer was saved for protein quantification.
SP:SAMPLEPREP_SUMMARY            	The protein layer from the metabolite isolation was re-suspended in 1 mL of RIPA
SP:SAMPLEPREP_SUMMARY            	buffer (150 mM NaCl, 50 mM Tris HCl pH 7.5, 0.1% SDS, 1% Triton-X 100 (Sigma),
SP:SAMPLEPREP_SUMMARY            	0.5% deoxycholate (Sigma), cOmplete EDTA-free protease inhibitor (Sigma)). The
SP:SAMPLEPREP_SUMMARY            	samples were vortexed for 10 minutes at 4°C and then centrifuged at 16,000 x g
SP:SAMPLEPREP_SUMMARY            	for 10 minutes at 4°C. Protein concentrations for each sample were calculated
SP:SAMPLEPREP_SUMMARY            	using the Pierce BCA Protein Assay Kit (Life Technologies). The protein
SP:SAMPLEPREP_SUMMARY            	concentrations were used to calculate the re-suspension volume to normalize all
SP:SAMPLEPREP_SUMMARY            	samples for LC-MS analysis to equal (1 µg/µL ) concentration.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Merck SeQuant ZIC-HILIC (150 x 2.1mm,5um)
CH:SOLVENT_A                     	100% water; 0.1% ammonium hydroxide; 20mM ammonium carbonate
CH:SOLVENT_B                     	100% acetonitrile
CH:FLOW_GRADIENT                 	20 min, 80% - 20% B; 0.5 min, 20% - 80% B; 7.5min, 80% B
CH:FLOW_RATE                     	0.15ml/min
CH:COLUMN_TEMPERATURE            	25
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Plus Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	The mass spectrometer had the spray voltage set to 4.0 kV, heated capillary to
MS:MS_COMMENTS                   	350°C, and the HESI probe at 30 °C. The sheath gas flow was set at 10 units,
MS:MS_COMMENTS                   	auxiliary gas at 1 units, and sweep gas flow at 1 unit. An additional scan
MS:MS_COMMENTS                   	between 220-700 m/z was used to enhance nucleotide detection in the negative
MS:MS_COMMENTS                   	mode as well with the maximum injection time set to 80 msec. Data acquired by
MS:MS_COMMENTS                   	Thermo Fisher's Xcalibur software and analyzed by their Tracefinder software.
MS:MS_COMMENTS                   	The raw files provided contain data from both positive and negative ion mode.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	Standard 2	Standard 3	Standard 4	Standard 5	Standard 6	Standard 7	Standard 8	Liver 1	Liver 2	Liver 3	Liver 4	Liver 5	Liver 6	Liver 7	Liver 8	Liver 9	Liver 10	Liver 11	Liver 12	Liver 13	Liver 15
Factors	Sample source:Succinate and Fumarate Reagent Mixture | Standards for Standard Curve and Treatment:Measurable Standard Curve	Sample source:Succinate and Fumarate Reagent Mixture | Standards for Standard Curve and Treatment:Measurable Standard Curve	Sample source:Succinate and Fumarate Reagent Mixture | Standards for Standard Curve and Treatment:Measurable Standard Curve	Sample source:Succinate and Fumarate Reagent Mixture | Standards for Standard Curve and Treatment:Measurable Standard Curve	Sample source:Succinate and Fumarate Reagent Mixture | Standards for Standard Curve and Treatment:Measurable Standard Curve	Sample source:Succinate and Fumarate Reagent Mixture | Standards for Standard Curve and Treatment:Measurable Standard Curve	Sample source:Succinate and Fumarate Reagent Mixture | Standards for Standard Curve and Treatment:Measurable Standard Curve	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:RquA AAV injected	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:RquA AAV injected	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:RquA AAV injected	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:RquA AAV injected	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:RquA AAV injected	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:RquA AAV injected	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:Vehicle	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:Vehicle	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:Vehicle	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:Vehicle	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:Vehicle	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:Vehicle	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:Vehicle	Sample source:C57/BL6 mouse liver tissue | Standards for Standard Curve and Treatment:Vehicle
10-Hydroxydecanoic acid	0	69509.60536	89614.43598	42915.25712	45544.33924	59169.70521	71981.31488	320104.0017	194374.5558	243696.7652	514976.9941	1124833.938	84569.23368	227238.2956	1598568.259	447639.7287	467347.0331	701454.2157	408195.7787	861003.4729	353607.1717
2-Deoxy-glucose	90597.89363	407119.1837	155164.784	86398.01204	55775.27298	54678.40454	275495.6372	3594079.251	2799244.977	522179.9796	1226485.714	0	3012330.518	0	0	0	0	0	0	0	0
2-Hydroxybutyric acid	73774.93392	152258.8475	54970.67649	98907.42278	118278.2268	118150.0169	76907.68409	62211926.67	53113160.42	17305883.48	70613956.17	119812290.8	69921911.67	200824574.9	166193111.2	27881963.84	48338988.05	77347840.13	34402064.5	62149272.09	44167218.46
2-Methylglutaric acid	104869.5332	668492.6833	344935.5511	152982.0952	335584.981	50485.25726	548286.152	6107688.253	3501482.702	2156931.099	1876925.586	7572227.964	2918837.84	4021647.198	2560082.999	981569.8417	4186433.536	1234519.155	819642.5038	1002069.465	887575.9417
3-(2-Hydroxyphenyl)propanoic acid	29022.9975	70192.04739	63852.75569	46601.74224	28381.45877	17121.67022	7008.187724	737289.3653	1024223.297	4960933.167	643041.0798	544837.5987	898151.159	2832656.286	1808407.063	457917.7047	623561.4821	753242.4178	540714.7487	666558.4905	415225.2811
Tetrahydrocortisol	4716.715316	0	0	0	0	0	1123.001619	4105824.097	3996202.173	1592944.518	2278764.837	7039927.915	1829195.201	9019223.154	9159748.487	1265284.141	2864091.15	4050087.59	2323693.277	3504205.58	2238225.72
3-Hydroxybenzaldehyde	1925551.097	1906370.074	0	1475381.236	1557855.549	0	0	145381428.9	140733644.5	112285017.6	48185140.85	28538471.94	50736252.21	73016847.85	14948214.34	9537833.52	32285049.41	27585035.75	18493104.91	9642025.811	16659527.26
3-Hydroxybenzoic acid	29466.62907	84270.25873	34087.15005	32208.90887	63539.23328	57497.90361	51583.23703	2730759.142	2274910.517	2634616.636	3778001.088	640589.5481	2136378.952	2978577.269	1514127.615	273377.6235	783989.4015	701844.7379	523774.4556	658465.8612	440821.7907
3E-Methylglutaconic acid	30044.4336	31143.46396	0	0	53041.41782	86697.65656	34075.8025	11295439.36	6734158.969	3921349.715	10348253.7	19763216.53	11259694.68	74935014.46	67027881.25	19007312.06	19659634.19	30100813.83	25605169.61	31185296.21	23798483.49
3-Phosphoglyceric acid	4000.106959	0	0	0	0	0	0	5742353.572	7038697.045	14702.85986	182243.7136	33334021.93	328684.1132	2438553.467	1665282.966	1365247.3	1949040.258	8137350.683	9155174.917	2431144.206	2648240.909
3-Sulfino-alanine	61757.51103	51716.11817	51752.90311	57633.14649	47184.01433	20010.42519	31079.59824	6502784.37	5187873.132	3348451.703	2648579.976	2106870.629	4716992.152	1942722.827	2346991.03	1527082.345	1514569.29	1600794.851	1129626.999	1939795.222	1904683.741
P-Aminobenzoic acid	25374.81887	22660.04016	47889.86756	65893.88691	17588.29795	55196.45545	52705.64837	1131990.927	685007.3228	619116.5587	2512944.112	3483749.536	930107.263	18162050.14	22412859.71	7181125.29	2843953.59	14594863.56	7016355.77	11033106.31	2622475.794
Vanylglycol	16366035.69	8596955.521	7478663.477	6330709.114	9295184.438	5806962.59	7561085.386	13133780.87	17569669.04	8794690.544	10136052.67	17152419.56	15940072.08	12959379.52	12174107.86	14111482.48	11814751.29	14289692	15843722.6	13092490.65	9622368.611
4-Hydroxybenzaldehyde	1155168.118	477840.8372	489027.1811	50237.67954	679375.5343	200345.49	763262.3525	7716734.266	9496724.14	18392579.42	6407723.796	12120820.73	6279104.885	8757652.41	8417910.808	4420812.516	5140868.128	4525856.842	3203778.31	3418593.395	3576772.201
4-Hydroxybenzoic acid	27867.86335	78961.28419	45457.61542	28381.03674	41436.6875	48494.33101	31456.12802	2644345.523	2244115.949	2422338.474	3589546.024	640376.0788	2187839.52	2978577.269	1514127.615	254915.1832	740951.3456	681434.5028	463330.7801	658000.8488	320546.2122
4-Pyridoxic acid	23721.84368	60469.08603	38151.23477	41352.05964	98408.98955	51380.35316	43098.43395	1184539.081	1288592.451	994282.8346	1283515.65	1210222.013	1131566.557	4116329.847	6766583.552	1031403.8	1728215.455	2501962.466	1126880.151	1553958.501	1145164.354
5-Hydroxyindoleacetic acid	0	0	0	0	0	0	0	264802.2489	158894.075	27523.69017	133270.3618	319304.2497	110118.2264	1674033.232	1101546.269	237581.6074	349585.9715	427337.1776	351895.1257	460448.2514	210262.6943
6-Hydroxynicotinic acid	68444.30776	39828.61298	32429.06844	29343.26005	60871.41965	33629.57607	16645.98821	211534.7271	111705.3786	114190.9745	469972.6834	1340839.947	289476.9388	5900015.066	3032810.307	807847.9512	1099348.097	1418657.983	1165930.718	1546926.204	797905.2703
6-Phosphogluconic acid	2253.030174	1219.582399	790.9575211	765.1903028	0	0	867.3875283	2846989.37	1617124.365	6099.357912	507811.9499	9164769.345	780356.0649	9003869.499	5349448.731	1855278.672	2820543.944	5860139.126	4452387.776	4412976.716	2690693.724
Adenosine	22933.73634	26217.18843	16861.50587	43148.65887	467779.4336	502292.8588	9546.425593	21242673.52	21867175.92	129881588.4	55716722.92	81672869.21	43547662.27	199061435.9	185590467.4	61410587.46	35016352.93	52575572.77	59538970.39	59316835.19	16897726.61
2',3' cyclic AMP	826.1255302	0	0	0	0	0	0	5516416.145	4066751.725	2777683.238	2982060.462	3212637.484	5980981.811	5203806.059	4755326.471	1359264.158	1328561.979	2129171.294	1273106.113	1954794.809	1006077.05
Adenosine 3',5'-diphosphate	421753952.8	205307361.2	81504119.53	28783120.66	2655217.194	835763.7269	642412.2352	102921720.6	47977152.61	152161.6088	330018.6421	496305657.2	3956459.67	143595291.2	140858015.5	157147937.9	182941104.4	477190486.3	352905944.2	301415450.2	220512674.8
ADP-ribose	29556.17744	7287.725325	0	1051.366316	0	0	0	544911.6228	2629432.533	87467.55086	220851.7071	38508998.06	350106.9939	324873.1873	423515.8445	3666318.554	180385.7906	585680.9921	13418118.02	2378330.677	769037.4212
ATP	197149747.7	81626028.25	29480522.64	8966937.626	743065.7283	0	99229.86063	5784105.317	5885706.965	41033.50909	5204.532851	271002564.2	598294.121	5444206.694	12014228.6	42918173.72	36933924.02	238312674.7	231540961.9	110841121.5	113817185.6
AMP	11352435.79	5830411.819	2666789.099	1198843.182	2337519.954	1388713.149	79267.68855	1780903582	1183789557	19212454.08	1129118446	1726367448	1375513458	4277358390	3854800836	1270557169	1332279604	1891484112	1066274483	1733240484	1201235207
Adipic acid	102158.2171	636670.1636	344935.5511	152982.0952	345108.7606	77446.83452	548286.152	6104962.887	3501482.702	2156931.099	1876925.586	7572227.964	2918837.84	4021647.198	2560082.999	981569.8417	4194026.88	1234519.155	805220.9735	1001591.064	887575.9417
Allantoin	31788.32039	0	0	0	0	0	0	23855848.18	21214732.57	30514635.67	25879869.8	27313573.85	27932540.1	66737903.15	43935867.93	13146119.49	18805326.93	15716183.64	16711148.01	22871923.73	13767859.82
Allose	274448.3986	46785.2816	43459.31799	83382.38899	76914.7612	86435.38066	156733.0945	61269207.23	34480606.86	19835150.16	57673114.04	114805997.9	61107535.04	580858326.2	443724078.9	111834509.2	119963596.8	186114206.4	147873186.5	194071263.2	137864119.3
Glucose	208128.9181	224933.9533	0	111306.296	0	89210.33583	155836.7321	63908245.54	37563947.91	22077244.57	58773228.33	123331807.4	61895489.43	642307974.5	505626229.4	115343203.8	122774618.5	214097192.6	169763247.7	230052658.4	159926099.9
Arabitol	184741.6193	84305.62807	83701.94175	20167.61067	0	53495.65222	63149.89218	2531852.8	2245787.551	2966377.493	3803100.986	2505668.307	3522033.915	6279026.717	6492066.192	2948598.383	2979864.315	2627882.208	2146111.077	2783100.515	2122973.654
Vitamin C	52341.37234	68461.36172	61042.79533	29152.87264	227944.8398	110379.9087	49771.58794	590420.023	746181.8252	388973.7731	778408.7413	476439.1202	672369.2422	2228343.936	2918537.599	717825.9859	359840.3617	1145044.503	638508.5122	1202173.857	466104.4972
Aspartic acid	141809659.1	73848929.08	27065441.43	8769386.813	1010860.267	488494.7622	334763.9315	335392152.3	320707175	244183931.8	286274770.9	108555981	392040860.6	320020325.5	244980687.9	65376273.96	81210513.16	109350314.9	77147482.29	95625812.41	70301193.15
Aspartic acid_13C1	6239176.178	3117000.961	1126444.968	341449.8265	13224.99408	0	8938.475029	48065266.88	41501304.31	25742492.4	40467914.39	10997581.7	52647396.41	31766620.61	12969801.75	5392897.901	8795347.956	9333343.082	7763809.828	6550592.417	6426690.229
Aspartic acid_13C2	1058263.202	478723.3271	199133.1623	110322.7992	42851.21177	183044.1845	306051.0566	37712495.34	35268680.77	21476342.49	22237841.75	4694256.406	32677004.4	12120653.4	3823253.87	2551312.306	4123252.837	4891399.951	3834270.691	2296537.056	3322762.777
Aspartic acid_13C3	90762.67403	107483.1882	73084.95829	31204.21261	57946.43276	69090.27146	44414.57363	33159450.08	25483564.87	23014780.88	12964205.19	2695312.337	19502412.96	7471702.187	1277270.93	1113375.008	2481110.557	1941442.892	1937387.61	863691.0333	1880228.114
Aspartic acid_13C4	33354.95655	65949.83053	85139.01879	44032.92991	62050.11309	46400.01615	55217.23427	42276763.4	45837041.22	39792648.39	20974946.81	2903587.274	33879581.51	9783607.997	1243514.351	1473381.417	3745694.132	3964504.981	2468890.379	1215741.203	2228751.032
Aspartic acid_15N1	523220.37	239851.1507	76670.25083	0	0	0	0	98963031.24	98657859.46	78495036.61	57314333.73	13281686.56	96097680.01	40391947.38	7681866.045	4646614.28	14043288.6	12238474.03	8939008.569	4756544.183	7679411.338
Azelaic acid	485712.0056	512655.8689	445640.4583	241120.497	88380.92799	90223.96225	188563.6138	9772888.695	7340599.737	3890275.547	7399676.495	8750718.333	4423567.789	14419451.36	6663026.807	2348052.071	4033177.04	3493054.863	2501076.805	3162335.265	2295434.012
sn-Glycero-2-phosphate	114211.0951	7074.967178	4467.627979	19742.00616	5385.605893	9125.877696	0	141592469.1	118503427.6	14145234.35	307364795.7	430500594.6	196191615.8	1422339522	1075626072	326929521	327035755.3	430002991.7	347857718.1	554960514.4	283237755.1
Butyric acid	134828.3877	78316.85453	0	0	60604.58075	0	0	24571432.3	17847420.96	12759854.09	12883047.72	1997793.932	11655479.5	2680625.852	2126998.274	545691.0077	425941.0902	758940.6408	658434.1288	915828.3346	226211.2794
CDP-Ethanolamine	0	0	0	0	0	0	0	23454549.88	18741246.43	14187234.72	18608184.03	27703811.85	23965195.44	80594348.04	89241479.05	19999618.56	18370540.64	38582399.71	21958475.52	33526251.4	16509763.34
Cellobiose	33859713.53	206547.43	768382.1538	50416.33257	57439.24718	111345.332	40230.72073	2423343.794	2225181.287	1004065.35	3007777.086	33001512.18	3659089.619	510661493.6	75416675.57	16707147.36	11966469.67	157746328.9	13588692.45	38414973.87	34694946.34
Citramalic acid	728610.9395	441720.9413	400296.9244	0	8177.571348	0	0	180126664.9	163154641.4	138163872.4	113512883.1	85489447.26	137885622.4	177918747.7	136923054.7	96174199.42	83221900.52	106442866.8	92714052.7	120456551.7	80995924.28
Citric acid	914212406.6	346755518.4	99458965.65	26999725.52	4170214.049	1494602.242	627200.176	307284880.3	254133259.9	360283008.6	229522442.3	338800130.2	385376677.5	531947576.7	569142093.9	144451660.4	162536122.7	293310689.3	169585670	187328912.6	147278514.4
Citric acid_13C1	60071029.82	23731706.09	6371795.218	1637432.773	153773.9442	39630.95511	4950.988614	56779495.99	46182727.77	49123050.44	45183468.05	64689452.08	80578780.54	88442750.83	55763113.52	21265927.74	30648853.54	58688677.37	34000192.84	24209073.19	26286847.28
Citric acid_13C2	12491477.45	4847432.03	1215186.082	274670.7984	0	4304.546177	0	27263878.98	23826115.37	22103922.32	17138380.9	19000405.06	31564807.66	28415825.41	10529533.86	5975964.043	10617132.63	20995869.35	11853913.48	5511623.128	8408511.755
Citric acid_13C3	772772.4182	247122.9995	32186.19149	0	0	0	0	24954512.16	19380786.79	23682977.49	11557511.15	14903985.7	21804523.24	16502092.68	3963190.163	2979783.91	6519854.33	12792172.11	7034279.104	3431813.434	5112499.087
Citric acid_13C4	0	0	0	4638.524646	0	0	0	29533017.64	27403816.07	31659025.91	13918529.4	11461184.88	26555682.37	19987779.68	6149659.422	3945864.576	8368728.112	15425986.45	7085532.896	5303940.395	6578678.749
Citric acid_13C5	0	0	0	0	0	0	0	43328053.4	20582313.37	25383819.31	14008548.34	19570573.47	25762396.53	12155472.61	4903497.193	3470918.821	7149187.841	16197671.14	8797990.862	2770167.431	5712388.075
Citric acid_13C6	0	0	0	0	0	0	0	7564380.842	3831978.963	3296047.784	2134967.412	2472786.955	4970133.866	1556124.774	62915.24593	530044.2675	1160460.37	2211978.651	1570937.588	215108.8709	703376.9705
Cortisol	0	0	0	0	0	0	0	64808.48531	201008.2318	1671930.116	2072514.843	44284000.97	21379.32472	3957443.026	17166050.29	1922409.694	3259829.192	5626214.12	2873878.216	4564086.501	3930617.224
3',5' cyclic AMP	826.1255302	0	0	0	0	0	0	5514188.459	4066751.725	2777683.238	2982060.462	3212637.484	5980981.811	5203806.059	4755326.471	1359264.158	1328561.979	2129171.294	1273106.113	1954794.809	1006077.05
CDP	0	0	0	0	0	0	0	1362458.569	414259.6919	0	0	4713436.986	37426.83202	1128827.076	1672794.579	1355256.023	2582663.489	5744784.298	3141556.836	2373424.963	1600843.947
CMP	9884.451519	826.1619123	0	0	0	0	0	29489521.29	20376933.61	4979031.966	21395384.27	28007719.9	30150672.63	87242740.18	109643249.1	23899700.39	25165012.79	53623422.71	24350143.19	34986281.18	18962464.75
CTP	0	0	0	0	0	0	0	27847.80627	2428.231713	0	0	1647430.036	0	23383.32064	69757.64914	293298.8374	328294.2864	2461052.37	1658575.53	673103.3249	474446.8874
Deoxycytidine	46666.05835	79842.3899	33790.79478	32298.32071	45736.37089	46416.12797	37878.53939	2791279.091	1695651.525	2891373.548	1804757.584	1502678.486	2144532.634	2547375.913	1637684.953	560936.4182	691588.1409	541361.84	435618.7967	671833.9118	423281.847
dCMP	0	0	0	0	0	0	0	2489646.109	1905826.616	194262.8505	2030534.315	1533184.434	2227591.679	4767661.299	4573372.922	966051.6666	1085939.224	1726504.284	986997.1008	1439538.34	809901.0703
Deoxyuridine	85951.56307	135196.3867	124239.3256	175241.0644	59557.061	66702.13016	188035.3677	9615943.75	7359705.066	5466333.844	1969327.187	3066420.772	3948655.659	9577829.978	8145243.96	1765551.949	2373899.534	3829691.361	2184436.886	2483653.902	1174648.103
Glucuronolactone	52341.37234	68461.36172	88046.13984	29152.87264	0	110379.9087	49771.58794	586534.7579	746181.8252	388973.7731	778408.7413	476439.1202	672369.2422	2228343.936	2918537.599	717825.9859	359840.3617	1165700.849	638508.5122	1202173.857	466104.4972
Diacetyl	663050.3447	462674.5048	96526.76102	74414.54488	0	151747.8778	77814.182	28421723.86	37702243.4	10163023.72	17225538.25	7496684.923	17457268.16	5681658.462	4558277.903	3656153.969	3382446.247	4266748.086	3129334.275	4848807.765	3323753.362
4,5-Dihydroorotic acid	60184.64406	5355.644491	12376.20229	5461.81365	4575.678097	5126.697626	3909.188085	3336893.989	1780155.949	1299545.381	3294699.599	1219779.52	3339615.153	9778791.527	8987710.476	460361.6238	256475.9097	2245414.544	1271417.872	1728200.711	281700.1956
Dihydroxyacetone phosphate	41863634.32	22116451.95	8428887.472	2355746.198	0	0	58115.75501	3986932.848	2922554.814	163604.5512	1688765.484	15065880.78	5897852.905	2040016.353	12699074.13	4757552.134	3054336.853	8751884.195	5799216.285	8970513.703	3445084.654
Ribose 5-phosphate	6613.400446	1357.599204	0	5394.141417	0	0	0	81127565.47	52415489.13	9723843.488	37973352.39	130312838.1	87401623.87	202253663	168408507.7	43172851.03	34641038.85	82957479.48	46149047.32	65397355.28	41139016.47
beta-D-sedoheptulose	0	3899.259485	0	15822.4686	7563.6625	0	0	489517.7776	423603.0752	897168.5881	1592927.985	1110239.427	926593.9292	3938097.404	3943499.053	1165002.203	1811663.115	1432941.337	1439127.268	2311218.501	1778798.291
Ethylmalonic acid	123408.1952	426062.5066	67217.38604	58847.70712	50806.66253	50815.34458	156771.8487	300865342.6	218882798.3	147416946.7	154857366	25293071.38	143418980.5	23105712.21	25747940.68	4732335.607	4045111.753	7676079.846	6263348.149	8167365.753	3731379.401
Fructose 6-phosphate_13C1	0	0	0	0	0	0	0	5570286.767	2279827.991	985815.015	4313571.855	15284735.68	4549726.451	27698460.89	22254666.91	5036201.182	6288574.433	11530852	7353417.535	10921906.31	6754473.796
Fructose 6-phosphate_13C2	0	0	0	0	0	0	0	3417125.476	807763.0584	310532.0642	1043157.592	5806939.151	1448795.112	7393891.101	5531575.537	1261200.45	1648294.352	3165416.986	1957839.32	2827092.883	1717731.485
Fructose 6-phosphate_13C3	0	0	0	0	0	0	0	6195207.923	1318389.281	469220.3018	1213315.381	8324056.172	2168456.44	3800931.23	353755.2407	393448.0389	1157519.098	2033539.804	1376670.026	677582.4438	927390.3263
Fructose 6-phosphate_13C4	2262.208641	0	0	0	0	0	0	1156665.969	201194.0188	37378.16862	196553.0787	1306464.336	335854.5933	519829.6331	0	10761.40981	134742.1212	248567.8236	170621.9908	37731.41291	67859.3216
Fructose 6-phosphate_13C5	0	13155.81638	16164.43722	13993.24437	15895.49399	16041.62161	11222.73378	959435.548	132382.3887	37202.5332	93768.40798	796905.6391	173958.5322	206486.3718	0	3212.54963	57012.16862	130903.2934	97925.26185	6994.72331	40970.64608
Fructose 6-phosphate	92667.43798	1942.167314	4517.871838	4674.018803	1570.209338	4390.067743	7132.878554	34908610.74	21672938.98	8132042.595	42214040.98	148172757.9	40270093.39	359065550.2	315972530.9	67547177.75	81098609.18	142271127.5	93240580.19	149977493.8	86770272.11
Fumaric acid	405835833.1	205275396.8	90939643.7	33193577.21	3517595.677	1500535.795	828242.1348	150207638.6	132931471.8	91657660.57	109102348.2	131037250.8	135165321.3	287278943.7	214977420.7	51911699.22	68402170.94	72758882.94	51142414.91	77119105.87	43648709.69
Fumaric acid_13C1	18130156.51	9058112.544	3975167.192	1504917.638	139275.3129	18568.48131	7910.926634	33013689.86	27156916.61	14540200.22	22391530.19	22679857.3	27596887.39	44237701.3	14180439.7	7683494.402	13446787.69	12590609.88	9880899.735	8022868.921	7479981.519
Fumaric acid_13C2	3564482.283	1839589.026	811557.53	284539.0409	10788.95391	0	0	23905345.83	21082186.75	12875603.03	10558329.06	9228518.127	14939914.71	14291361.28	3132822.769	2610667.079	4996052.693	4934244.847	3677177.81	2212323.004	2690876.116
Fumaric acid_13C3	44898.76826	19019.48688	15515.44661	4160.845929	0	3316.266375	4807.477894	28848241.47	22545045.25	17592968.06	8312136.765	5736761.783	11354880.93	10960014.55	893610.3774	1794255.573	4579501.21	2978432.943	3151194.105	1291298.151	2248934.521
Fumaric acid_13C4	0	0	0	0	0	0	0	35014638.69	35369541.88	28651691.16	9901046.345	5636333.793	19550695.7	15017994.01	1583706.377	2349858.855	5998015.744	4865601.419	3278766.052	1455849.078	2733332.528
Glucose 1-phosphate_13C1	0	0	0	0	0	0	0	5516146.638	2518678.343	918422.807	4199034.332	16058534.04	4601282.775	28484699.37	23232628.98	5258905.781	6934466.961	12324955.11	7870137.809	11738089.57	7242955.675
Glucose 1-phosphate_13C2	0	0	0	0	0	0	0	3581214.583	909627.606	313827.3653	1143698.233	6222760.864	1620005.741	7247525.053	6227611.937	1270571.736	1747751.045	3203660.776	2029603.582	3021851.082	1818721.888
Glucose 1-phosphate_13C3	0	0	0	0	621.2333575	0	0	7280662.982	1399099.794	498279.9753	1328840.42	9753242.105	2500679.204	4231425.132	353755.2407	433104.0652	1310231.227	2198392.838	1451043.434	689021.9085	1029233.186
Glucose 1-phosphate_13C4	0	0	0	0	0	0	0	1283308.478	201194.0188	37378.16862	196553.0787	1418672.036	335854.5933	519829.6331	0	10761.40981	134742.1212	248567.8236	170621.9908	37731.41291	67859.3216
Glucose 6-phosphate_13C1	0	677.245773	0	0	0	0	0	1222713.693	980801.4033	176340.1953	792765.1337	1390278.544	970321.0699	2029229.366	1945569.256	616396.3716	846020.5525	1325600.694	926495.8722	1051490.35	747159.8664
Glucose 6-phosphate_13C2	0	0	0	0	0	0	0	340867.1116	233676.5657	45165.49557	221372.1739	408515.4191	136704.2231	694077.9107	625271.158	91632.61352	155546.4466	328444.8743	128657.0468	274982.6903	149586.3393
Galactaric acid	0	0	0	0	0	0	0	21354150.03	16501736.37	17755333.8	12491792.3	27270632.31	16340499.27	71736009.18	76500349	11742123.48	11800669.73	41700114.55	16981703.91	25751937.22	10970604.5
Galactitol	10960599.53	6287727.666	3396518.754	1723873.215	365649.0786	221453.0019	362397.9497	1095759.757	1195236.715	2144997.234	1368613.819	871207.9694	4900439.92	1506069.895	1139926.118	516684.6127	586965.8965	702923.4849	640496.5546	689879.1897	446573.6516
Galactose	111521.3095	60427.68636	113686.4551	118998.5148	162166.8365	193099.9708	200056.7583	13762223.84	9808730.992	14114646.07	14026999.17	17268313.11	29534941.68	55968437.76	38828830.28	8499545.663	8642226.311	18851240	9873136.938	13649579.69	8129079.952
Galactose 1-phosphate	92667.43798	1942.167314	4517.871838	4674.018803	1570.209338	4390.067743	7132.878554	42076616.04	26583630.09	9350364.739	49462315.16	157237276.1	46598841.77	380347806.8	336324462.3	73391156.37	87865646.05	155018934.3	101273436.1	164496094.1	93545349.75
Galacturonic acid	12344.31096	0	0	6673.737059	8102.049496	32157.45692	5099.703556	20424526.92	18553227.47	13686638.66	17799757.72	33889542.36	27057132.38	151019347.4	175904454.9	51028413.59	38855214.68	83468356.92	42920955.36	79272766.84	28701594.46
gamma-Aminobutyric acid	390888.2383	135787.9114	0	92818.43489	0	0	44546.93621	91554330.44	67785030.67	34058244.59	47285593.74	23241252.57	63961747.4	59300312.38	47647547.61	14078976.84	16458437.75	16465392.01	15498828.97	18047516.25	10286841.06
Gluconic acid	404924.7561	70985.79518	30604.99047	45828.76902	37485.3827	24368.79834	14622.90523	309315790.8	196205618	169078809.5	358233074.9	589277988.6	282480357.1	2156487472	2249521914	817284454.3	780808036.9	1062592597	790555685	1219438732	726647200.2
Glucose 1-phosphate	92667.43798	6449.798218	4517.871838	4674.018803	1570.209338	4390.067743	7132.878554	42140477.52	26583630.09	9407213.526	49815604.65	158260549.8	46800340.08	374938594.6	337581303.4	72804771.68	88110988.15	155809694.9	102700841.7	168022992	94758546.49
Glucose 6-phosphate	10613.29325	3619.900717	867.5543597	5008.468571	909.6600306	880.7247508	816.8621573	21885403.1	16246649.89	3693731.001	15145151.53	23060827.77	15658993.4	35660017.56	30390746.26	8811726.987	11463130.37	19164287.83	11475813.65	14654827.14	11037025.47
Glucose_13C1	7170.348343	0	0	4789.975297	0	5602.604123	0	7843632.222	4484405.331	2168971.217	6592778.747	18895389.78	7018843.009	56395173.45	37606677.2	9771227.263	11416845.31	21042091.29	15960556.75	17552699.93	14411213.18
Glucose_13C2	15943.22059	0	13857.42956	8864.449767	6635.94808	9399.668441	15177.66235	4103906.309	2001650.143	1096729.637	1996554.804	6785641.989	2580991.008	10279206.43	5500367.251	1345063.51	2535639.111	4434891.632	2931544.096	2499056.828	2796991.763
Glucose_13C3	0	0	0	0	0	0	0	9329285.674	3753101.874	1970267.003	3424988.232	12387372.75	4976471.001	11182072.79	506609.0043	1695994.169	5265641.871	7815706.563	4861345.646	1543852.655	3538598.948
Glucose_13C5	0	0	0	5536.633371	0	0	0	1089058.737	436044.3258	239492.9452	281020.4006	1187378.702	396869.6537	289773.3448	0	27176.86624	287263.3766	439949.3944	443702.5665	0	127931.8657
Glucose_13C6	24626.92808	32218.46322	0	54152.80242	9537.481139	27821.2083	19559.42562	1416453.38	424649.1451	127620.6843	218260.9553	1069491.083	479811.9719	879354.4382	53701.15436	101781.4707	376003.6461	558883.7352	537580.1647	19342.99278	248231.095
Glucuronic acid	0	0	0	6673.737059	0	32157.45692	5099.703556	20424526.92	18553227.47	13686638.66	17799757.72	33889542.36	27057132.38	151019347.4	176820084.9	51028413.59	38855214.68	83546606.93	42920955.36	79272766.84	28701594.46
Glutamic acid	1287750.806	518600.7613	324826.3356	327169.3953	210415.4831	355770.7034	208306.1521	1595408211	1177365843	549862439.1	786954902.1	386388569.2	1127773379	908323874.7	833337301.6	229119702.6	262027653.8	269442792.3	260007848.5	302281601.6	176173536.3
Glutamic acid_13C1	17245.51517	8474.389082	6682.507168	4231.213763	0	6329.474203	7482.868802	188936459.3	148846319.4	47191794.43	98781541.31	43568358.44	149829495.2	95168963.3	58364917.53	24980760.17	29678863.72	32122761.29	31831174.5	25480968.31	17882484.63
Glutamic acid_13C2	130096.6599	532586.4451	207477.148	153194.7142	111272.9655	79630.21778	605404.7868	121123993.7	96816881.36	30543226.02	50928051.38	16747233.47	75367587.24	35508321.09	11914395.59	9204735.585	12396884.8	12617904.3	13406114.78	7187028.52	6531722.083
Glutamic acid_13C3	8083.374683	15744.07992	11097.81687	19024.00732	8592.128527	8744.110737	70522.12994	198168094.2	158845457.4	53694453.39	59066510.99	15987240.26	96849794.46	29704111.98	6071348.501	7127892.514	12645284.93	12228800.91	12040292.86	5246839.76	6644975.098
Glutamic acid_13C4	32885.94096	16777.29504	21165.06483	6580.694925	0	12915.82022	11401.56497	42989075.67	32951771.37	16953528.42	10104440.17	2694832.58	16797903.4	6748624.198	1039390.098	1639695.87	3152244.364	2618510.277	2717916.434	908058.8094	1425544.879
Glutamic acid_13C5	1182503.762	1083240.012	559893.1892	607513.1527	1143975.006	746248.9089	837455.435	855024668.8	629422341.4	349362490.2	164538653.4	46797741.14	299542230.7	126310456.7	25660656.91	27511337.8	62334972.82	46359549.29	48112059.53	18901206.84	26527389.69
Glutamic acid_15N1	0	0	0	0	0	4294.951242	0	700588339.7	548284482.9	252808653.4	197954163.2	76630630.97	388248231.6	161001836.9	43615858.69	34886629.12	81028171.93	62685077.57	59311295.75	26493696.28	35447300.02
Glutamine	6063901.886	1630888.758	3027982.962	3440136.838	4163424.012	6583649.405	3288485.394	4179477306	4210812099	4128418851	2653219650	2628875158	3618355825	3717081025	9496407976	2705759203	1751880520	2355259396	2937281778	5389302685	2884313118
Glutaric acid	122675.7186	426062.5066	71499.80853	41971.47829	23893.25621	44834.35114	156771.8487	282456416.8	215099053.3	149105674.7	148443756.7	23434293.4	140679132.4	20500293.32	21703314.14	3791384.899	4201513.617	6870473.9	5699833.467	6649700.707	3734457.693
Glyceric acid	196266.7904	70225.36496	55661.30036	51515.40331	45453.30547	15778.23681	29584.41551	174943999.2	170241775.3	127119538.9	131313284.8	112810780.3	148395723.6	485938929	322548932.9	57156082.61	103499085.6	133601016.8	46507274.16	72192024.84	67405665.69
Glycerol	1055056.739	546318.9364	544836.7927	682716.8531	329261.6283	677881.4076	650528.9074	23362588.14	28216839.37	12250059.21	26431515.77	16607238.26	39396920.26	95702768.23	65044634.47	14822450.09	20601291.2	22892071.79	13235736.73	29658427.72	13166920.09
sn-Glycero-3-phosphate_13C1	509759.2508	596513.5448	401816.9316	123265.3404	0	0	0	13490865.9	8869957.747	1105641.62	16951517.97	31944841.34	13323205.99	67167191.62	41034902.84	14048051.76	17060562.96	21455019.16	16235822.28	22449151.38	13000590.93
sn-Glycero-3-phosphate_13C2	27465.45842	39301.54124	0	0	0	0	0	12640332.05	7131805.094	4960192.61	6873461.626	14600456.01	6430456.882	20812409.11	13752005.52	4004240.272	6288385.893	7800164.019	6164299.472	8147489.672	4770938.267
sn-Glycero-3-phosphate_13C3	0	0	0	0	0	0	0	19635261.06	9040601.839	1072460.268	7648218.049	20854239.95	9641906.125	16762505.27	650793.1905	2296158.942	6334786.376	5677536.309	5036892.034	2497695.367	3001527.585
sn-Glycero-3-phosphate	114211.0951	7074.967178	4467.627979	19742.00616	5385.605893	9125.877696	0	152723052.5	126929415.6	14772755.93	327936742.9	464862581	209480304	1546032517	1162055229	350445583.4	351745788.9	464117064.1	372079393.7	593932251.7	302405087.9
Glycocholic acid	0	0	0	0	0	0	0	4577232.399	4265524.301	761588.9668	576905.9763	823982.4219	3558667.502	9977206.796	376121.1276	248747.4056	187415.3388	153800.1398	279721.3836	271849.8853	238721.0623
Guanidoacetic acid	1138413.62	604528.4124	677378.6305	640666.7566	980052.7026	710570.91	795888.4506	924331891.2	650861342.9	835075486.2	700218650.8	314847545.7	726462270.5	292531561	366641116.5	195934107.7	182603079.6	272391946.8	170836973.1	289042772.5	137563964.8
Guanine	91378.89203	72604.46952	13394.21802	11154.72672	0	23554.89463	28109.45796	191672006.6	151359226.5	293176645.8	300735307.7	114447194	241728421.3	629555006.7	621765124.3	144050868.7	190841055.7	201484135.5	112341010.1	187619902.6	147324332.5
Guanosine	5256.107423	4220.326225	2572.581661	4918.543327	3283.662247	3139.87567	0	158566093.4	117585642.3	260193578.7	257022341	73259292.06	210908777.3	707427729.5	636588678.3	89268918.14	122664848.1	148693685	70911769.85	140510702.9	99241883.99
GDP	3206.911196	1053.144468	0	0	0	0	0	3555598.991	1210712.794	7910.782157	2009.598013	32484848.19	69533.51188	997952.8832	1291722.586	2559221.412	6351540.786	16449619.86	16547174.82	9247757.887	6866462.987
GDP-mannose	0	0	0	0	0	0	0	5054370.5	3482529.971	1407632.538	4492405.209	7255326.256	4061659.105	29299391.89	23190498.15	6376027.778	7053479.648	11395291.2	8025689.313	11353039.91	6868339.075
GMP	0	0	0	0	0	0	0	189622968.8	145066213.8	5264718.282	126745748.7	217796987.9	144609779.8	655553428.9	538634934.1	139822536.6	152007183.8	252163244.3	145857686.7	224655915.6	141939502
GTP	0	0	0	0	0	0	0	68721.48906	44683.34737	0	0	10403270.76	34156.78742	8461.258889	41557.87689	501173.8181	817929.6805	5097640.581	7925697.332	2152026.715	2451474.018
Homovanillic acid	45002.25286	82469.51962	41162.94047	32745.50652	55669.12074	43865.24445	62779.65216	33009062.27	44596799.48	136464264.6	20574730.5	17715819.36	24222556.06	38397431.87	8587486.787	14115908.36	12716916.24	27772161.82	19998308.11	33611117.66	16212256.45
Hydroxyphenyllactic acid	45002.25286	82469.51962	41162.94047	32745.50652	73956.63505	43865.24445	62779.65216	35729634.47	49126102.09	148468458.4	22236714.36	19268871.61	26528980.78	42499602.42	8928248.529	14992238.22	13892668.69	30189317.85	21859947.76	36888200.84	17391813.21
Hydroxypyruvic acid	0	4672.123066	0	0	0	0	0	58185014.19	49371697.8	41032450.19	5153723.979	39100358.03	16686329.84	145230808.2	218986294.7	4614238.412	1955058.692	95703176.74	29109024.31	5998406.613	5357426.34
Indoxyl sulfate	0	0	0	0	0	0	0	115832.4548	471426.4331	4746122.509	190182.0413	1585182.692	1108348.628	246916.5547	61089.39777	306300.9339	290612.0895	320243.6185	462484.1756	276134.8005	291076.8024
IMP	0	0	0	0	0	0	0	9017022.095	24723634.16	763950.1763	16949946.03	44358914.25	43660277.88	163768309.7	168451281.8	30242458.72	26591028.83	36640828.59	37399759.18	79102370.62	13856895.95
Isocitric acid	914212406.6	365009677.1	99458965.65	26999725.52	4170214.049	1346290.255	979353.1003	302563387.2	254133259.9	360369500.2	229522442.3	338800130.2	350629065.6	531947576.7	569085279.1	144451660.4	162536122.7	293310689.3	169630098.2	187328912.6	147278514.4
Isocitric acid_13C1	60071029.82	23731706.09	6371795.218	1637432.773	153773.9442	39630.95511	4950.988614	56779495.99	46209203.08	49136200.82	45183468.05	64689452.08	72775255.16	88442750.83	55763113.52	21265927.74	30648853.54	58663731.78	33994801.61	24255187.17	26286847.28
Isocitric acid_13C2	12491477.45	4847432.03	1215186.082	274670.7984	0	4304.546177	0	27263878.98	23826115.37	22103922.32	17138380.9	19000405.06	31564807.66	28415825.41	10529533.86	5975964.043	10617132.63	20995869.35	11853913.48	5511623.128	8408511.755
Isocitric acid_13C3	772772.4182	247122.9995	32186.19149	0	0	0	0	24954512.16	19380786.79	23682977.49	11557511.15	14903985.7	21804523.24	16502092.68	3963190.163	2979783.91	6519854.33	12792172.11	7034279.104	3431813.434	5112499.087
Isocitric acid_13C4	0	0	0	4638.524646	0	0	0	29533017.64	27403816.07	31659025.91	13918529.4	11461184.88	26555682.37	19987779.68	6149659.422	3949230.135	8368728.112	15425986.45	7085532.896	5303940.395	6578678.749
Isocitric acid_13C5	0	0	0	0	0	0	0	43328053.4	20582313.37	25383819.31	14008548.34	19570573.47	25762396.53	12155472.61	4903497.193	3470918.821	7149187.841	16197671.14	8797990.862	2770167.431	5712388.075
Isocitric acid_13C6	0	0	0	0	0	0	0	7564380.842	3831978.963	3296047.784	2134967.412	2472786.955	4300209.11	1252687.705	62915.24593	530044.2675	1112443.345	1865176.974	1570937.588	215108.8709	703376.9705
Itaconic acid	278248.058	197640.6894	85395.75967	123953.001	100789.8276	28223.32838	35396.07529	122730263.7	147695429.6	77824176.31	83891019.55	59216790.7	92493576.02	82536641.52	50109442.36	57234487.24	49437813.3	56474896.48	52673158.01	72875656.62	48430099.17
Lactic acid	8884961.285	5638007.945	5451841.945	5517749.633	1769069.32	1515130.197	2916232.193	1695475627	1486083841	1036296637	2419245371	3593271268	2091388099	14417755987	9651837676	2446135866	2304625996	4152114473	2871519272	4949934132	2960759702
Lactic acid_13C1	490292.6844	367264.1115	404882.9388	332858.0595	247034.3727	76381.6018	105784.8407	141537005.5	117298008.5	56705460.62	166832408	260105376.1	167390240.2	764281952.2	383476018.4	126370176.7	147340770.9	258530371.4	160682891	219666395.8	176516226.9
Lactic acid_13C2	540911.176	809016.7402	1502556.24	2073156.174	4203207.383	1981702.863	789690.1333	103904478.5	77254138.7	29798174.67	71636322.93	125451853.3	82138481.27	275072051.5	81257320.26	34020225.25	54156328.06	92156433	56571469.8	55816160.16	64546236.03
Lactic acid_13C3	37121.21934	158218.2982	106404.6865	40053.02593	127972.6878	67332.49563	107059.3848	228657139.2	166007066.4	66688623.22	118228337.5	200716219	165123469.3	322605838.1	24963460.76	39194856.39	84854477.62	111101684.1	79720117.57	47147573.09	83753997.69
Lactose	36789888.65	570373.1672	1203051.285	161377.7772	55593.03738	87213.85977	121029.0321	2969939.572	2635175.742	1456153.056	3146288.669	32049437.01	3778674.019	500805513.8	76887266.17	16523301.82	11594247.47	154983378.2	13258606.93	37680453.3	34064270.96
Malic acid	1644139984	905814008.2	412379843.8	161371627.4	18424073.72	8733180.319	4384403.017	1565928944	1374358626	1061048583	1230360015	1401089938	1436330114	2333517952	1963744851	633026984.6	786798640.3	760428158	613475107.2	878652819.6	512956174.6
Malic acid_13C1	75211862.26	41093972.39	18594490.32	7299628.929	753740.6022	336340.7054	152854.7196	326189325.9	272939078.4	157401779.5	250116784.5	239459265.3	288005047.8	335613602.4	133854135	96130362.63	149339149.7	131384902.5	112794444.6	89669763.58	85614746.3
Malic acid_13C2	19170517.67	10276947.28	4693187.054	1785791.738	145174.3254	35897.30116	0	265976371.9	235747340.7	157104782.5	133560285.6	104292433.9	178937322.8	122071813.5	33938756.67	34965193.98	61034242.25	55634104.99	48634787.34	29611557.43	35861226.05
Malic acid_13C3	798070.5837	408156.3859	192113.1954	41658.96519	0	0	0	288235831.1	224877814.3	198817607.5	94888760.41	66305062.59	124597163.9	88058350.98	10323887.76	24472226.75	53274485.56	36021928.69	37620628.79	17253007.38	27810813.29
Malic acid_13C4	48091.47307	26416.82466	56619.43383	26655.43263	40847.1542	65991.88783	31013.11877	335499704.3	347934055.5	317667133.6	116737996.7	64168512.24	197605354.1	113008498.9	13764275.81	28578149.04	64046772.24	48960535.53	38356002.64	19951149.06	30547338.34
Maleic acid	414509464.4	212693426.1	93348475.15	34453129.13	3623364.237	1569836.247	964601.8531	158651219.3	139903794.7	94898055.23	111899368.9	133801511.5	140468318.2	303279344.8	224399037.5	53943540.63	72637107.36	75444041.59	53737841.58	79485460.13	46481455.38
Malonic acid	346650.9763	428425.6019	330492.6741	406240.4283	413441.1451	314393.7867	315339.7222	2156341.939	2405451.807	1967514.987	1523304.572	2928256.323	1370531.027	5427112.681	8145404.048	2151139.875	1449031.531	4217519.611	1927261.58	3188324.247	1461386.424
Maltose	0	618426.3847	1276286.721	175709.0893	205669.986	129627.6974	0	3023066.449	2630275.832	1463635.431	3109940.286	32040917.39	3754158.688	500805513.8	76918550.91	16522248.3	11599662.1	154983378.2	13270303.3	37594535.6	34062310.47
Mannitol	10450784.34	6001751.891	3321646.29	1693018.312	348622.9698	182948.3988	339378.3855	1091964.824	1116274.809	2025579.001	1366248.963	868756.4848	4708877.824	1506069.895	1139926.118	514657.8364	582837.1379	702923.4849	607886.1598	687312.4084	446573.6516
Mannose	0	233723.661	169874.616	88082.40955	64949.91026	86453.18635	63552.44102	63908245.54	35802383.89	21823241.77	58956053.51	120252446.8	61895072.8	646270131.7	505545593.7	118150667.3	140722520.1	216358646.8	174951250.7	230128260.9	173612134.1
Mannose 6-phosphate	92667.43798	1942.167314	4517.871838	4674.018803	1570.209338	4390.067743	7132.878554	34908610.74	21672938.98	8132042.595	42214040.98	148172757.9	40270093.39	359065550.2	315972530.9	67547177.75	81098609.18	142271127.5	93240580.19	149977493.8	86770272.11
Melibiose	19199851.21	9755950.787	4547095.959	2497257.393	848755.1831	719069.4431	4309978.441	5356052.601	2170672.319	4453717.5	2906514.412	6462141.138	3303203.226	112682.7808	0	12294837.66	1725044.823	0	1812648.594	0	0
Mesoxalic acid	8651.918689	16655.52101	16325.41826	4098.263421	4578.311443	4911.410104	0	549016.8029	536771.0579	415525.5815	636388.6477	820015.1003	781353.7039	1832383.175	507547.8188	865465.615	1241586.26	830150.7602	735107.6686	1920438.735	902807.0249
Methyl beta-D-galactoside	144662.9281	47632.39095	96716.77957	114475.412	129835.1562	47074.22609	35125.28335	45597058.19	28159109.14	20312470.27	26923277.21	35830029.95	37750638.64	84784627.71	80233968.19	19323441.02	22481096.75	35468881.13	17079133.27	25550123.34	17025319.3
Methylmalonic acid	317435936.4	151459140.1	64320449.28	24752731.8	2585170.377	1160567.971	851257.4169	343770781.8	352413323.8	274776108.5	368480136.7	470597482.5	216203295.4	1332545940	936334303.5	203216541.2	271413328.5	309109566.3	216644557.6	362497205.4	191866086.7
Methylmalonic acid_13C4	0	0	0	0	0	0	0	156051673.1	151240857.8	121104427.5	53702277.85	28786502.9	53777212.57	78413387.14	8370973.437	11659832.28	34220438.57	30747009.14	22055418.29	10122942.24	18025769.28
Myo-inositol	304265.0494	152953.8468	110407.3745	124997.7869	47311.31745	118386.1257	191889.1604	63908245.54	37664896.57	22201702.45	61099564.67	123690814.2	61931483.23	656950940.7	505490435.5	118122311.6	124816884.1	216237730.9	173218291.9	230135738.9	170474401.5
N-Acetylalanine	132687.2565	49018.52743	105656.4492	0	0	56144.50428	67064.85508	11137596.27	13952688.72	9289665.966	7130015.579	3604399.355	10966633.16	15475441.78	14525035.63	2851972.4	3309728.779	5500467.476	3292474.987	6302024.344	2993817.586
N-Acetylaspartic acid	609820.5247	290394.0069	188137.9669	93693.19528	120366.726	207586.3859	90854.48128	106215892.8	87503204.48	85211228.68	101302200.3	41186318.93	156303206.7	58909726.87	50957438.54	10692707.46	18289555.88	23560345.41	11309768.02	16472748.34	10904168.37
N-Acetylglutamic acid	37679774.2	13169660.88	5381522.954	1051844.503	219090.1013	99982.8497	94169.08185	515181694	302724600.7	178533017.2	305531279	271194593.4	304158908.7	411493796.8	313658535.6	153135880.9	115433340.2	163289391.3	111853143.5	207451180.7	114010259.3
N-Acetylglutamic acid_13C2	300449.965	81966.98223	0	0	0	0	11118.83626	7619473.848	4693082.452	1519532.486	8886177.02	4107213.589	7416027.805	7010715.505	3610236.085	7207766.446	3202551.831	6791071.372	5413085.924	5297283.792	4263676.322
N-Acetylglycine	311128.7681	78547.17991	29835.69264	67456.31133	29693.42717	48840.94069	30924.77413	3260327.538	1723187.347	2125393.265	1727161.707	2112897.513	3084639.092	4198264.672	9139818.191	1743203.137	1632678.448	4504214.714	2016324.784	3844189.352	1846434.247
N-Acetylmethionine	6890.203343	0	0	0	0	0	0	18473178.37	22304432.8	11380164.46	8387916.51	1774589.526	42367437.78	19867089.51	6352182.083	3887265.594	3608846.763	7609356.091	4897278.555	7151820.157	4752793.76
N-Acetylserine	258552.9736	92145.64183	113570.7167	41198.47465	21467.73686	39315.28115	38475.23913	47286316.04	42538222.7	27641970.42	25219007.51	11888178.18	35632053.43	22341783.57	39871251.26	12207810.04	8514175.927	16472391.02	13961069	21692855.4	12141328.18
N-Formylmethionine	0	0	0	0	0	0	0	3124546.623	3556005.654	2502327.519	2635283.824	1645820.849	3546566.352	5098151.398	6952886.875	2654571.203	1808273.347	4797623.251	2326126.316	4513602.289	2050275.461
N-Methyl-D-aspartic acid	1287750.806	518600.7613	324826.3356	327169.3953	210415.4831	355770.7034	208306.1521	1595408211	1177365843	549862439.1	786954902.1	386388569.2	1127773379	908324400.4	833337301.6	229119702.6	262027653.8	269431151	260018207	302284613.9	176173536.3
O-Acetylserine	297349.53	94747.76288	128593.2718	73860.96008	25525.33908	15170.42891	44480.4958	51886853.01	46752092.2	29426011.86	26914775.23	13607897.73	38970027.07	25994838.86	46264243.42	13351550.13	9272512.36	18628642.46	15167345.36	23871281.05	13419172.8
Orotic acid	8357734.27	99274.14237	299247.6383	1275505.787	11560.9349	52960.3876	4762.719192	4615391.07	4362552.538	2847419.33	4905604.752	3267111.117	7280225.833	4184672.159	3351049.876	1098013.458	1015114.91	1473823.419	2164204.98	1998386.841	830082.0474
Oxalic acid	824270.0669	576883.0722	487524.4556	485920.4248	517562.2962	472340.7634	401080.4996	10807063.83	7738656.715	10076556.51	4473345.181	10623719.37	6790882.504	57196297.88	63946078.51	3720648.239	4757628.584	16289197.87	4881646.51	6726343.437	4166216.733
Oxoadipic acid	288471.8637	180177.7382	46268.23839	43866.24162	26265.73325	30590.10031	36418.98849	8998150.373	5293070.601	6706628.668	6289922.555	916828.0241	17284703.34	2592968.364	2352463.014	1857172.952	905678.5784	1148289.547	1191765.788	1779930.066	1370922.961
2-Oxoglutaric acid	280701.2153	15627.61551	53766.45528	16021.69195	5399.88231	29231.04399	23178.97111	8785084.861	6980350.901	7746391.894	5749120.272	5901132.13	9930106.148	8156880.391	3061009.7	5304926.341	5617962.533	5043921.835	4699719.266	7906099.746	4901511.304
2-Oxoglutaric acid_13C1	4809.780338	0	0	0	4242.1519	0	0	644268.9702	591710.1599	504384.1054	483546.1174	350081.3231	1039547.54	356802.629	62355.31314	367481.558	317452.5945	246478.4556	337306.8823	456812.1192	282953.9896
2-Oxoglutaric acid_13C2	5419.112957	0	0	0	0	0	0	0	0	0	0	8698.623044	0	0	0	0	0	0	9166.593355	7847.394132	0
2-Oxoglutaric acid_13C3	8641.654732	0	5546.292373	5116.208076	4714.372947	0	0	583752.4549	486102.3515	365474.8019	248994.1548	38390.58034	493846.4748	40691.78835	0	14872.67269	55732.77253	14447.97915	48714.60804	0	20541.9825
2-Oxoglutaric acid_13C4	0	0	0	4879.909485	9882.608731	4650.978901	4307.893293	83945.6827	80530.03666	118238.9442	6644.424487	17315.2914	88413.87199	17066.35892	0	0	0	0	0	0	0
2-Oxoglutaric acid_13C5	11487.62323	13611.283	9661.557398	23029.81809	10050.29287	38057.02999	25907.90399	2885024.06	2234502.482	3009664.423	760872.0512	255895.3264	1924747.645	251233.6176	0	352570.9527	425095.8755	211331.5312	387503.1864	158563.9444	326495.0744
Palatinose	36809458.36	613393.777	1272085.939	182832.0488	58883.2547	187676.9162	0	3009281.623	2638878.661	1453392.086	3101276.03	32049437.01	3799475.716	500805513.8	76915664.21	16522216.26	11599662.1	154965930.9	13268439.58	37544315.57	34021059.85
Valeric acid	982206.0255	526651.0508	186550.9177	0	248740.3315	251031.898	141232.2378	14755233.19	13029425.21	5695959.451	12287534.32	19146922.18	6800798.415	26520222.03	23597527.5	6584798.805	8682692.711	8451668.571	4176899.724	7245995.361	7908273.794
Phosphocreatine	0	0	0	0	0	0	0	4410509.659	4069107.593	3778490.464	3200405.629	5760428.321	3653564.862	6483283.649	3417463.946	4819709.489	4666718.206	5491907.778	5089053.744	5683366.364	4209805.051
Phosphoenolpyruvic acid	34483.88831	3750.096618	0	0	0	0	0	709057.8301	988172.2331	0	0	6881886.299	17417.5132	45002.34159	129247.1038	76359.83259	608947.9689	1186499.85	2573319.617	302591.4053	538366.3421
Phosphoenolpyruvic acid_13C2	340153.3505	179443.3662	85388.80823	39616.44643	17852.16652	4809.441027	13809.77381	7762134.379	11112508.04	6139070.605	14464416.73	11502288.44	11961132.94	23705260.64	46375577.63	11754806.25	5775192.139	21100695.04	9193197.565	20740589.11	4737017.355
Phosphoenolpyruvic acid_13C3	0	0	0	0	0	0	0	288601.0268	404631.6589	252150.1061	533339.775	625757.2137	421319.4159	1020497.487	1551632.06	447068.7612	255818.9861	811421.1037	322724.935	755949.8678	170805.4395
Pipecolic acid	25549.37207	46323.14729	42165.77162	52125.7807	33109.46964	52598.29376	27391.49928	652386.1296	432031.6063	379209.8361	839113.1602	2507591.614	550044.3733	8167343.483	4468833.189	1185082.456	1912806.806	2794275.785	1203723.609	2152066.883	802182.8962
Psicose	8065169.815	175720.1677	274089.0838	60781.89867	28243.64825	48706.84332	33068.1514	593351.4594	537296.9118	319997.2042	1427527.367	3470574.064	1441704.289	65853933.41	6131034.493	1792856.064	626323.0671	20292484.62	523696.2093	2881364.794	3297579.774
Pyroglutamic acid	4843129.553	4985365.488	3921372.571	2901837.046	1668504.078	1548575.608	2160389.918	382533123.1	189215177.2	123287463	143548436.3	189145062.4	291904758.7	367781420.3	521543423	76590690.24	73715745.83	179248411.3	132828143.5	141992335	67022394.58
Pyruvic acid	83400607.86	22129808.64	20536066.86	2903111.344	613520.6094	152034.7738	245894.3397	8902488.13	11227142.49	7877837.48	52488862.87	14191140.39	50257476.03	8537797.841	1070605.652	21609128.71	40033524.03	4416036.025	8344051.178	28846244.74	22168684.57
Pyruvic acid_13C1	2978022.537	708580.379	596250.6138	64499.58306	7304.370979	0	10699.54367	812273.9931	590625.1463	495328.9666	2438774.257	958002.371	3093484.36	199409.9467	32444.77413	858909.9723	1964064.324	300423.1809	377126.0108	1318022.869	1141646.736
Pyruvic acid_13C3	17365.2438	5571.458709	9498.895676	5660.48958	6449.17272	20321.46596	18010.3144	1208476.379	486736.6551	486116.1347	923006.1144	492070.4567	1999040.086	0	7005.873084	189344.0332	776500.5015	8905.75903	22989.19648	94157.05029	254519.3601
Quinic acid	45620.79335	80296.55617	43527.43188	53619.45972	55464.92181	45277.13182	92155.17222	3448434.762	2663037.657	391963.2604	4365197.97	1983117.731	4317466.578	3760551.953	982002.6815	4568061.618	3185209.645	6732365.239	5470462.396	3235253.484	3015077.074
Quinolinic acid	0	0	0	0	4000.687253	0	4042.939159	2003005.208	1503287.626	2035600.499	1002444.678	515175.733	1753151.095	429364.7513	326294.0602	89916.30801	95257.45953	106628.4906	159985.2345	236561.4324	164379.3116
Raffinose	63109.83241	1006.359636	4025.501704	48467.88828	0	1114.341774	1511.790544	849585.4114	705991.2556	2441369.786	1363123.384	30573834.75	1389372.409	521867374	36737045.4	16192764.53	814636.8634	65963211.81	19883343.02	25415651.28	17932071.84
Resorcinol monoacetate																					
Ribitol	184741.6193	30149.89864	83701.94175	20167.61067	149243.0015	53495.65222	63149.89218	2475071.81	2245787.551	2966377.493	3803100.986	2505668.307	3061976.774	6043159.795	5686474.959	2754345.446	2914288.483	2627882.208	2225701.487	2783100.515	2122973.654
Glucaric acid	0	0	0	0	0	0	0	21892991.78	16460280.39	17404517.6	12675611.23	27258314.09	16179431.45	69470717.87	75329208.05	11356357.62	11246549.72	39214878.5	16950983.73	25658741.49	11449008.94
Salicylic acid	0	75145.70882	50313.39074	20056.30648	34966.71435	57015.74221	22458.028	2730759.142	2264981.099	2321773.409	3769027.519	397437.3918	2167437.186	2978577.269	1548256.384	273265.72	718619.3722	521952.3099	431556.2546	513935.5864	336743.1089
Shikimic acid	160261.6696	74214.05508	41125.97496	19778.07155	61049.49443	41942.1552	46978.67615	3132351.148	3022909.501	2588704.594	1143309.13	517208.4844	1549637.902	622798.8237	290572.3544	433401.785	786920.5101	534160.0057	675890.5645	335647.1383	453230.3041
Sorbitol	10450784.34	6001751.891	3321646.29	1693018.312	348622.9698	182948.3988	339378.3855	1091964.824	1116274.809	2025579.001	1366248.963	868756.4848	4708877.824	1506069.895	1139926.118	514657.8364	582837.1379	702923.4849	607886.1598	687312.4084	446573.6516
Sorbose	111521.3095	60427.68636	113686.4551	118998.5148	162166.8365	193099.9708	200056.7583	13762223.84	9808730.992	14114646.07	14026999.17	17268313.11	29534941.68	55968437.76	38828830.28	8499545.663	8642226.311	18851240	9873136.938	13649579.69	8129079.952
Stachyose	1029.43143	0	0	4579.265785	0	0	0	11142181.99	4670742.025	3374525.318	877195.2992	4176866.36	23743674.41	117542869.5	5831693.426	1192699.892	610380.0396	5165469.487	3691747.901	2665211.848	1293232.1
Succinic acid	316231832.6	151866377.5	64290732.42	24713389.45	2964875.419	1628110.323	878699.0735	343778243.1	351523881.9	274149860.7	359643014.5	473056026.8	216214310	1325424713	906753434.5	202929778.2	283143347.4	321686926.4	219362120.3	362497205.4	197038254.4
Succinic acid_13C1	13876031.48	6703325.863	2913692.478	1116116.613	96823.96269	41957.81411	12319.72926	53243946.72	53464138.15	22502020.3	67701171.62	77645143.7	36061234.55	199971499.4	61404315.73	31118363.18	53796417.92	52672151.98	40143610.99	38462846.93	31808169.67
Succinic acid_13C2	2717908.803	1350489.613	556436.9129	151184.5107	13176.04479	65375.35634	92282.40243	58657671.74	58170091.99	27203878.04	42219859.47	35339622.33	28483144.21	72196990.04	15376690.85	11524442.3	23670285.07	24485999.45	17860637.58	11833151.3	14151249.45
Succinic acid_13C3	20382.28941	22600.82061	4696.720783	0	0	3716.031339	0	33413603.43	31945369.03	15381410.05	22786568.94	18927621.19	11820907.92	53656657.27	4582578.908	7132256.77	19309959.72	13412860.54	12584591.36	7000388.51	10227197.04
Succinic acid_13C4	335093.2905	100738.571	75551.9915	186542.8734	0	220613.6032	0	157778610.7	156277362.5	121019888.2	57172101.78	29557783.57	54235756.54	78441632.62	10800608.54	12968703.77	37308154.08	35718719.58	21513226.55	12545542.83	21117107.64
Sucrose	36809458.36	664197.0876	1258324.08	180871.5516	58899.60059	207294.7696	0	3023066.449	2638931.644	1453444.946	3109940.286	32040917.39	3777208.816	500805513.8	76915664.21	16522248.3	11599662.1	154965930.9	13210145.82	37577971.41	34021059.85
D-Tagatose	71195.63633	227443.7702	137081.2645	80365.92535	74312.71445	97299.7661	0	63908245.54	36996206.63	22113680.66	61597390.69	119620194.9	61895489.43	646288506.2	505568869.3	118123444.9	120810639.7	211954974.1	175039464.2	228090722.8	171119282.2
Tartaric acid	1248850.743	310736.3002	97355.33542	18741.27521	8504.141836	9152.808808	0	689446.06	615035.6968	408712.0791	586504.3629	791218.4575	481411.2681	773791.9724	1344793.235	1209740.613	361269.523	535675.4146	396332.1151	602424.4066	274050.7391
Thiamine diphosphate	0	6124.157445	0	0	0	0	0	3043704.359	2285109.005	1877.2788	2056711.745	9734422.515	1744782.95	14599829.11	12283763.68	4629531.75	5289271.407	10098976.39	6600960.919	7408582.6	5177770.584
Threonine	2522564.644	1716338.338	984703.4964	792255.5223	593297.7079	434304.0061	908974.7508	977798389.4	1144486373	1018726198	513809451.4	426156823.2	906460951.1	614093976.1	994957070.1	274413473.5	238812494.3	461825657.7	362148224.8	541837818.8	295533290.1
Thymidine	132944.454	548072.8701	450555.858	200079.4653	98903.03731	69613.51345	179985.6433	13578606.72	8460864.48	10595425.27	3178187.885	3316714.757	5779504.29	11884659.53	8655815.998	2021167.663	2892309.072	3903293.511	1828318.521	3193343.145	1233115.91
dTMP	0	17388.83213	0	0	0	0	0	4733038.928	3504789.191	259023.8399	2452921.067	1543129.038	3206803.339	14025533.62	11088673.61	2032952.5	2613883.821	3687217.482	1562728.114	3009628.218	1568198.272
Trehalose	36789566.18	608677.9261	1299324.966	177277.3154	55548.28838	94796.46387	109292.4109	2998682.837	2635178.354	1463635.431	3144750.726	32065963.86	3778674.019	500805513.8	76915664.21	16523301.82	11594247.47	154994554.1	13271880.64	35477129.44	34077862.63
Uracil	1432251.622	1884560.922	763539.9118	1404763.275	2157822.334	1102895.658	1337101.993	26365124.79	31807756.49	12479787.84	20209029.27	7868397.947	31079075.41	22628845.7	18886884.3	5790343.38	5402306.461	9141337.176	6111694.906	6949381.605	5561465.383
Uric acid	804107.7908	7537.736757	40432.46272	31135.83663	0	0	3916.366337	0	0	0	38952666.73	41501.45239	2407540.108	0	0	17699544.94	22987468.09	0	9358744.797	28531.3849	3767991.341
Ureidopropionic acid	12281.36984	7290.96142	15273.68639	43399.63968	29179.7386	13346.19746	4919.042449	1759388.618	2151007.496	2700230.924	3367737.226	806940.3883	3857130.904	8706493.106	5636048.836	1731122.206	3616236.28	2197709.128	2435494.163	3066128.583	2647740.599
Uridine	184268.8872	74512.16118	69053.82997	78812.6371	42587.92844	66775.70485	67441.14482	89197516.51	71907075.85	184761496.4	134608647	71555912.3	144381563.1	391122446	276592112.3	60646906.49	78295636.17	96065552.24	62356906.13	117114903.5	66116090.68
UDP	0	0	0	0	0	0	0	15279235.4	8022463.803	361769.0362	867060.8218	53837902.77	2594088.638	20345660.62	20321390.15	22483445.7	34017642.24	50361983.39	39930591.08	40412612.78	29280100.14
UDP-glucose	0	0	0	0	0	1492.45479	0	74314781.17	60310736.52	31690323.52	128035575.6	120441288	129589100.5	808971854.9	774027919.7	185530609.7	189939868.2	288457360.8	195845120.1	257027599.4	182437775.1
UDP-glucuronic acid	0	0	0	0	0	0	0	10199359.9	8511507.359	7195544.299	9270598.718	23841886.52	25166913.03	55240598.45	128237249.1	52158337.14	22890589.92	175525351.8	16710637.8	70810887.31	3773010.154
UDP-galactose	0	0	0	0	0	1492.45479	0	74248936.53	60255164.22	31651299.58	127655118.6	119933198.9	129328121.6	806693563.3	770497122.6	185143865.6	189156341.3	287353484.1	195253561.6	256139904.3	181732842.9
UDP-N-acetylglucosamine	0	0	0	1152.964644	1205.57755	2155.256248	1105.711754	105409983.4	65168077.07	62086804.91	93504703.39	108995518.6	96839062.55	405347545.5	396685826.9	68514682.51	88755663.22	116562569	86117736.68	125890573.3	76647785.29
UMP	1248.679827	1238.338864	929.4230292	1019.71414	2863.849609	802.461517	773.2570891	231786379.7	160993655.9	34536963.49	182741809.3	268114262.1	246807730	1210342767	1136148975	256176618.8	253228959.3	449348716.4	271416216.1	432172836	240296800.4
UTP	7778.878786	2097.241084	0	1137.095311	0	0	0	805880.6946	347224.2771	732.2078088	0	20869570.23	54741.70673	763810.4922	2144059.604	5885604.628	6748729.461	22340275.72	20757716.07	10048189	9574398.544
Urocanic acid	284158.4925	511200.5202	369735.5666	355234.906	112292.613	0	204094.7916	3267580.008	3178360.393	3655106.426	3112932.981	7692124.552	4989061.015	1427876.902	1381643.139	2051847.193	1923141.871	1793128.135	1733445.34	1679331.372	1006303.819
Xanthosine	0	1442.745325	1523.417253	809.3341737	697.4127359	888.295082	1464.771936	26418491.22	9173060.94	5990964.602	24865543.15	3323689.435	42023607.02	95029588.37	71060617.79	2060653.479	6698729.15	13669682.48	2666192.502	12712354.65	1388871.041
Xanthurenic acid	0	0	0	0	0	0	0	0	243005.321	0	183843.4094	0	1961729.736	0	0	2269913.527	835081.842	0	1427893.182	1237695.991	952110.6859
Xylitol	184741.6193	30149.89864	83701.94175	20167.61067	149243.0015	53495.65222	63149.89218	2475071.81	2245787.551	2966377.493	3803100.986	2505668.307	3061976.774	6043159.795	5686474.959	2754345.446	2914288.483	2627882.208	2063163.619	2783100.515	2122973.654
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Retention index	Quantified m/z	PubChem ID	KEGG ID
10-Hydroxydecanoic acid	2.41	187.13397	74300	C02774
2-Deoxy-glucose	8.6	163.0612	108223	C00586
2-Hydroxybutyric acid	5.15	103.04007	11266	C05984
2-Methylglutaric acid	8.67	145.05063	12046	.
3-(2-Hydroxyphenyl)propanoic acid	2.67	165.05572	873	C01198
Tetrahydrocortisol	2.5	365.23335	44725717	C05465
3-Hydroxybenzaldehyde		121.0295	5967	C03067
3-Hydroxybenzoic acid	5.27	137.02442	7420	C00587
3E-Methylglutaconic acid	8.3	143.03498	1551553	.
3-Phosphoglyceric acid	10.8	184.98566	724	C00597
3-Sulfino-alanine	9.06	152.0023	1549098	C00606
P-Aminobenzoic acid	5.97	136.0404	978	C00568
Vanylglycol	3.87	183.06628	10805	C05594
4-Hydroxybenzaldehyde	2.88	121.0295	126	C00633
4-Hydroxybenzoic acid	5.83	137.02442	135	C00156
4-Pyridoxic acid	2.49	182.04588	6723	C00847
5-Hydroxyindoleacetic acid	7.81	190.05097	1826	C05635
6-Hydroxynicotinic acid	5.96	138.01967	72924	C01020
6-Phosphogluconic acid	11.45	275.01736	91493	C00345
Adenosine	4.01	266.08948	60961	C00212
2',3' cyclic AMP	4.44	328.04524	101812	C02353  
Adenosine 3',5'-diphosphate	10.71	426.02214	159296	C00054
ADP-ribose	9.21	558.0644	33576	C00301
ATP	10.77	505.98847	5957	C00002
AMP	8.51	346.05581	6083	C00020
Adipic acid	8.89	145.05063	196	C06104
Allantoin	7.75	157.03671	204	C01551
Allose	7.65	179.05611	12285879	C01487
Glucose	8.31	179.05611	5793	C00267
Arabitol	7.02	151.0612	94154	C01904
Vitamin C	4.43	175.02481	54670067	C00072
Aspartic acid	9.45	132.03023	5960	C00049
Aspartic acid_13C1	9.45	133.03359
Aspartic acid_13C2	9.45	134.03694
Aspartic acid_13C3	9.45	135.0403
Aspartic acid_13C4	9.45	136.04365
Aspartic acid_15N1	9.45	133.02727
Azelaic acid	6.79	187.09758	2266	C08261
sn-Glycero-2-phosphate	8.95	171.0064	2526	C02979
Butyric acid	8.6	87.04515	264	C00246
CDP-Ethanolamine	10.1	445.0531	123727	C00570
Cellobiose	9.23	341.10893	10712	C06422
Citramalic acid	9.26	147.0299	441696	C00815
Citric acid	11.35	191.01973	311	C00158
Citric acid_13C1	11.35	192.02308
Citric acid_13C2	11.35	193.02644
Citric acid_13C3	11.35	194.02979
Citric acid_13C4	11.35	195.03315
Citric acid_13C5	11.35	196.0365
Citric acid_13C6	11.35	197.03985
Cortisol	2.38	361.20205	657311	C00735
3',5' cyclic AMP	4.99	328.04524	6076	C00575
CDP	10.91	402.0109	6132	C00112
CMP	9.96	322.04457	6131	C00055
CTP	12.27	481.97723	6176	C00063
Deoxycytidine	5.02	226.08333	13711	C00881
dCMP	9.29	306.04966	13945	C00239
Deoxyuridine	3.92	227.06734	13712	C00526
Glucuronolactone	5.3	175.02481	439782	C02670
Diacetyl	9.49	85.0295	650	C00741
4,5-Dihydroorotic acid	6.42	157.02548	648	C00337
Dihydroxyacetone phosphate	9.58	168.99075	668	C00111
Ribose 5-phosphate	9.89	229.01188	440101	C00117
beta-D-sedoheptulose	7.78	209.06668	441483	C08355
Ethylmalonic acid	8.39	131.03498	11756	NA
Fructose 6-phosphate_13C1	10.05	260.0258
Fructose 6-phosphate_13C2	10.05	261.02915
Fructose 6-phosphate_13C3	10.05	262.03251
Fructose 6-phosphate_13C4	10.05	263.03586
Fructose 6-phosphate_13C5	10.05	264.03922
Fructose 6-phosphate	10.05	259.02244	69507	C00085
Fumaric acid	10.15	115.00368	444972	C00122
Fumaric acid_13C1	10.15	116.00704
Fumaric acid_13C2	10.15	117.01039
Fumaric acid_13C3	10.15	118.01375
Fumaric acid_13C4	10.15	119.0171
Glucose 1-phosphate_13C1	9.94	260.0258
Glucose 1-phosphate_13C2	9.94	261.02915
Glucose 1-phosphate_13C3	9.94	262.03251
Glucose 1-phosphate_13C4	9.94	263.03586
Glucose 6-phosphate_13C1	10.68	260.0258
Glucose 6-phosphate_13C2	10.68	261.02915
Galactaric acid	10.97	209.03029	3037582	C00879
Galactitol	7.88	181.07176	11850	C01697
Galactose	9.69	179.05611	439357	C00984
Galactose 1-phosphate	10.03	259.02244	123912	C00446
Galacturonic acid	10.11	193.03538	84740	C08348
gamma-Aminobutyric acid	8.73	102.05605	223130	C00334
Gluconic acid	8.26	195.05103	10690	C00257
Glucose 1-phosphate	9.94	259.02244	65533	C00103
Glucose 6-phosphate	10.68	259.02244	5958	C00092
Glucose_13C1	8.31	180.05947
Glucose_13C2	8.31	181.06282
Glucose_13C3	8.31	182.06618
Glucose_13C5	8.31	184.07289
Glucose_13C6	8.31	185.07624
Glucuronic acid	9.96	193.03538	94715	C00191
Glutamic acid	9.12	146.04588	33032	C00025
Glutamic acid_13C1	9.12	147.04924
Glutamic acid_13C2	9.12	148.05259
Glutamic acid_13C3	9.12	149.05595
Glutamic acid_13C4	9.12	150.0593
Glutamic acid_13C5	9.12	151.06266
Glutamic acid_15N1	9.12	147.04292
Glutamine	8.48	147.07642	5961	C00064
Glutaric acid	9.23	131.03498	743	C00489
Glyceric acid	6.89	105.01933	439194	C00258
Glycerol	5.23	91.04007	753	C00116
sn-Glycero-3-phosphate_13C1	9.33	172.00975
sn-Glycero-3-phosphate_13C2	9.33	173.01311
sn-Glycero-3-phosphate_13C3	9.33	174.01646
sn-Glycero-3-phosphate	9.33	171.0064	439162	C00093
Glycocholic acid	2.4	466.31631	10140	C01921
Guanidoacetic acid	8.9	118.0611	763	C00581
Guanine	6.34	152.05669	135398634	C00242
Guanosine	6.72	282.08439	135398635	C00387
GDP	11.62	442.01705	135398619	C00035
GDP-mannose	11.72	604.06988	135398627	C00096
GMP	10.56	362.05072	135398631	C00144
GTP	13.11	521.98338	135398633	C00044
Homovanillic acid	4.74	181.05063	1738	C05582
Hydroxyphenyllactic acid	5.04	181.05063	9378	C03672
Hydroxypyruvic acid	6.7	103.00368	964	C00168
Indoxyl sulfate	4.18	212.0023	10258	NA
IMP	9.75	347.03982	135398640	C00130
Isocitric acid	12.02	191.01973	1198	C00311
Isocitric acid_13C1	12.02	192.02308
Isocitric acid_13C2	12.02	193.02644
Isocitric acid_13C3	12.02	194.02979
Isocitric acid_13C4	12.02	195.03315
Isocitric acid_13C5	12.02	196.0365
Isocitric acid_13C6	12.02	197.03985
Itaconic acid	9.49	129.01933	811	C00490
Lactic acid	5.36	89.02442	107689	C00186
Lactic acid_13C1	5.36	90.02777
Lactic acid_13C2	5.36	91.03113
Lactic acid_13C3	5.36	92.03448
Lactose	9.24	341.10893	6134	C01970
Malic acid	10.18	133.01425
Malic acid_13C1	10.18	134.0176
Malic acid_13C2	10.18	135.02096
Malic acid_13C3	10.18	136.02431
Malic acid_13C4	10.18	137.02767
Maleic acid	8.67	115.00368	444266	C01384
Malonic acid	10.03	103.00368	867	C00383
Maltose	8.66	341.10893	439341	C00897
Mannitol	7.72	181.07176	6251	C00392
Mannose	8.05	179.05611	18950	C00936
Mannose 6-phosphate	10.17	259.02244	439198	C00275
Melibiose	8.61	341.10893	440658	C05402
Mesoxalic acid	12.27	116.98295	10132	C00830
Methyl beta-D-galactoside	5.87	193.07176	445238	C03619
Methylmalonic acid	9.38	117.01933	487	C02170
Methylmalonic acid_13C4	9.38	121.03275
Myo-inositol	7.65	179.05611	892	C00137
N-Acetylalanine	4.85	130.05097	88064	NA
N-Acetylaspartic acid	9.16	174.0408	65065	C01042
N-Acetylglutamic acid	8.78	188.05645	70914	C00624
N-Acetylglutamic acid_13C2	8.78	190.06316
N-Acetylglycine	5.49	116.03532	10972	NA
N-Acetylmethionine	2.68	190.05434	6180	C02712
N-Acetylserine	6.04	146.04588	65249	NA
N-Formylmethionine	3.55	176.03869	439750	C03145
N-Methyl-D-aspartic acid	7.89	146.04588	22880	C12269
O-Acetylserine	5.94	146.04588	99478	C00979
Orotic acid	5.8	155.00983	967	C00295
Oxalic acid	11.25	88.98803	971	C00209
Oxoadipic acid	9.27	159.0299	71	C00322
2-Oxoglutaric acid	9.84	145.01425	51	C00026
2-Oxoglutaric acid_13C1	9.84	146.0176
2-Oxoglutaric acid_13C2	9.84	147.02096
2-Oxoglutaric acid_13C3	9.84	148.02431
2-Oxoglutaric acid_13C4	9.84	149.02767
2-Oxoglutaric acid_13C5	9.84	150.03102
Palatinose	9.23	341.10893	439559	C017424
Valeric acid	3.01	101.0608	7991	C00803
Phosphocreatine	9.49	210.02853	587	C02305
Phosphoenolpyruvic acid	11.22	166.9751	1005	C00074
Phosphoenolpyruvic acid_13C2	11.22	168.98181
Phosphoenolpyruvic acid_13C3	11.22	169.98516
Pipecolic acid	6.52	128.0717	849	C00408
Psicose	9.16	179.05611	90008	C06468
Pyroglutamic acid	5.9	128.03532	7405	C01879
Pyruvic acid	4.34	87.00877	1060	C00022
Pyruvic acid_13C1	4.34	88.01212
Pyruvic acid_13C3	4.34	90.01883
Quinic acid	7.54	191.05611	6508	C00296
Quinolinic acid	9.7	166.01458	1066	C03722
Raffinose	9.76	503.16176	439242	C00492
Resorcinol monoacetate	2.68	151.04007	5055	C12064
Ribitol	7	151.0612	6912	C00474
Glucaric acid	10.81	209.03029	33037	C00818
Salicylic acid	5.2	137.02442	338	C07588
Shikimic acid	8.29	173.04555	8742	C00493
Sorbitol	7.68	181.07176	5780	C00794
Sorbose	9.69	179.05611	6904	C01452
Stachyose	10.78	665.21458	439531	C01613
Succinic acid	9.62	117.01933	1110	C00042
Succinic acid_13C1	9.62	118.02269
Succinic acid_13C2	9.62	119.02604
Succinic acid_13C3	9.62	120.0294
Succinic acid_13C4	9.62	121.03275
Sucrose	8.61	341.10893	5988	C00089
D-Tagatose	8.69	179.05611	439312	C00795
Tartaric acid	10.93	149.00916	444305	C00898
Thiamine diphosphate	9.08	423.02987	1132	C00068
Threonine	8.22	120.06552	6288	C00188
Thymidine	3.49	241.08299	5789	C00214
dTMP	7.79	321.04933	9700	C00364
Trehalose	9.22	341.10893	7427	C01083
Uracil	3.9	111.02	1174	C00106
Uric acid	7.6	167.02106	1175	C00366
Ureidopropionic acid	6.91	131.04622	111	C02642
Uridine	4.69	243.06226	6029	C00299
UDP	10.55	402.99492	6031	C00015
UDP-glucose	10.4	565.04774	8629	C00029
UDP-glucuronic acid	12.46	579.02701	17473	C00167
UDP-galactose	10.45	565.04774	18068	C00052
UDP-N-acetylglucosamine	9.56	606.07429	445675	C00043
UMP	9.52	323.02859	6030	C00105
UTP	12.02	482.96125	6133	C00075
Urocanic acid	6.2	137.03565	736715	C00785
Xanthosine	7.07	283.06841	64959	C01762
Xanthurenic acid	7.39	206.04478	5699	C02470
Xylitol	7	151.0612	6912	C00379
METABOLITES_END
#END