metabolite_name	MB-1	MB-2	MB-3	MB-4	MB-5	MB-6	MB-7	MB-8	MB-9	MB-10	MB-11	MB-12	MB-13	MB-14	MB-15
glycine	31456.10	19272.62	10854.66	26236.48	22177.43	27052.14	34587.17	37634.90	21132.78	42650.65	23026.04	24197.90	12652.33	5575.80	6624.36
ATP	170870.75	16370.42	239969.55	123946.78	71518.55	60971.59	108630.32	109814.12	136055.22	179135.14	295185.66	76227.88	584291.31	38877.14	383944.28
ADP	815553.06	14793.80	702507.81	148134.38	55603.56	264793.38	524660.81	372251.59	340085.22	703654.00	424504.00	112687.77	2560060.50	78223.16	927901.69
Adenine	50155.25	25584.81	37285.79	28484.04	24161.35	51657.22	52093.39	56416.72	21191.63	57726.71	64508.81	41957.33	17839.55	29179.22	21363.96
GDP	95090.88	2285.73	58543.04	18730.79	7007.88	23933.80	53204.02	50019.24	45703.50	110536.04	72452.89	13981.47	250839.92	5997.04	103267.66
CDP	135429.75	9470.54	95094.71	30420.36	0.00	76047.34	98704.22	84074.34	20546.07	102623.70	39531.88	9973.97	219476.11	71574.32	88148.80
CMP	15858.05	2098.05	16207.04	0.00	2564.10	6236.01	17174.22	6903.74	4321.38	22703.66	5954.45	4652.46	46132.07	10577.25	6803.57
Thymidine	83399.16	29114.17	67921.34	62888.05	36950.39	63287.61	85836.13	119747.75	72533.54	38491.29	76319.66	72932.89	101768.37	71690.93	68760.26
UDP	845192.75	153229.05	698250.19	543427.25	206600.95	799932.94	1022719.19	644085.25	537155.81	305719.62	791920.50	529248.25	889314.31	487555.78	437185.50
UMP	75349.62	1935.72	21176.33	3782.11	2674.27	30272.56	68963.22	30505.05	27319.51	121379.50	28171.20	20840.38	300858.25	1375.59	41323.92
IDP	561150.88	171679.67	601078.81	467525.62	252511.69	659510.00	696093.38	628227.94	443135.59	301069.66	625023.62	606000.06	838257.69	533907.88	591827.06
IMP	188656.92	0.00	71011.51	0.00	0.00	24416.20	112525.97	48912.33	27453.82	347586.66	32878.29	3002.07	297455.72	0.00	190877.95
Inosine	46090.16	0.00	13822.82	3025.66	0.00	15279.61	33352.23	4031.36	6736.81	11009.11	9730.88	0.00	87415.75	4016.56	8122.12
Hypoxanthine	218506.02	56792.02	194544.06	69584.23	64029.46	147980.17	153513.19	114125.03	83645.59	183716.89	132099.83	97863.94	660108.25	193767.61	278332.34
(S)(+)-Allantoin	80683.59	90742.16	97635.65	126938.31	66375.69	101992.13	102080.16	121026.69	142946.86	136983.70	134376.19	169692.78	107926.77	126596.96	78201.10
Urate	326944.28	96827.99	376945.47	156039.47	93609.76	290522.97	455562.72	276563.03	140199.06	232405.27	368563.00	347928.28	157774.86	76522.87	228438.70
3',5'-Cyclic IMP	7482022.50	3562286.25	11265904.00	8955885.00	4962998.50	12236447.00	12224885.00	11202299.00	9779622.00	4613275.00	9632438.00	10125308.00	11315003.00	6757799.50	6010958.00
Pyridoxal	25101.23	2310.52	17486.41	1786.82	3700.03	12283.48	17619.24	7322.06	2289.39	9953.41	8812.87	1744.38	50656.55	4162.67	8678.37
UDP-glucose	52824.41	0.00	27855.39	4933.88	0.00	10186.81	47951.98	19464.79	14849.48	32816.33	14418.66	0.00	125560.62	0.00	14719.08
ADP-D-ribose	168444.17	1282.93	99430.06	15098.36	7901.04	60301.26	124573.74	40539.63	34397.00	109499.00	59201.72	8789.89	90360.38	0.00	85126.82
Phosphate	7572936.50	3802785.75	8518519.00	3685058.25	3413998.75	6719930.50	6816566.00	5231883.00	4263710.50	6052862.00	5687138.50	5771769.50	14550073.00	8751842.00	10319297.00
Diphosphate	257331.33	102196.19	232465.67	84666.23	95786.69	213593.58	196279.38	102467.02	84279.69	257182.83	160727.20	141643.36	535149.31	354238.16	282907.03
D-Glucose	14993709.00	8823681.00	13162351.00	12142128.00	8759295.00	11899873.00	14847141.00	17605072.00	12506175.00	10742812.00	15225984.00	13372087.00	18883300.00	13620224.00	15858629.00
D-Glucose 6-phosphate	196812.98	2483.37	151648.47	29881.74	10482.65	62483.57	178448.25	138334.16	98307.02	255832.30	144434.12	25307.86	839396.50	9121.25	226074.70
D-Fructose 1-6-bisphosphate	115343.71	1662.40	41673.54	9060.94	3145.14	38595.86	77136.74	43728.34	23395.17	171659.23	51218.03	8983.02	967140.75	4916.92	93836.15
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	202780.62	2016.52	85338.20	27393.95	10063.10	30824.49	98019.94	98354.96	63366.12	330809.53	137048.02	24136.83	1219794.12	7441.48	272677.88
1-3-Bisphosphoglycerate	2864012.25	3176.77	1670348.88	296468.66	4433.35	1024345.00	3282637.25	959665.31	499221.38	1164715.62	1093400.62	21355.18	7646330.50	308276.28	1300950.00
2/3-Phospho-D-glycerate	1555739.12	734.91	649430.19	80751.10	2742.99	547082.69	1165849.88	314247.78	189534.27	476809.88	361662.91	15641.56	3295673.00	103130.97	305441.62
Phosphoenolpyruvate	263195.28	285.86	108207.40	8776.09	781.10	81076.32	200508.44	48704.77	16750.38	66748.24	53515.02	604.48	558548.00	17919.18	50322.47
Pyruvate	116411.49	61644.04	100463.16	89983.68	82043.95	94427.99	100814.63	122477.34	93409.81	63624.86	75660.40	80665.45	540714.44	103508.96	150731.02
Lactate	3337844.25	1593549.88	2790560.75	2226468.25	1833839.38	2396241.50	3193035.75	3206380.75	2217296.00	2039564.00	2899953.00	2493017.25	8196306.00	3203486.75	4982720.50
Mannitol	320487.84	198096.48	280964.34	371298.34	224042.64	252685.98	317385.03	341324.66	326271.34	210890.23	358661.03	297569.91	802754.94	441709.41	435746.38
D-Ribose	209290.33	122255.12	231096.05	193697.95	140425.20	186226.12	222419.73	254842.00	188802.45	172697.55	218200.00	209194.55	291025.47	172055.25	210508.62
D-Arabitol	23441.73	9700.68	21180.36	15949.63	7305.98	8708.40	12691.63	21021.20	17585.50	5068.48	17539.77	14943.12	36085.81	33030.39	29783.46
Citrate	1872113.12	283414.38	1566463.50	614326.56	312965.84	967514.75	1321704.38	922206.25	732395.00	1375229.38	1449297.38	525066.81	6534305.50	1234826.50	2758271.75
Succinate	156357.20	125271.85	303476.47	228916.75	174979.19	353076.72	302304.91	235789.52	208175.00	172932.23	311273.81	299645.88	826585.19	386695.12	383544.50
Malate	399579.75	72777.48	265582.03	116462.50	104214.05	258981.20	438186.53	197374.77	162049.06	477251.50	279318.00	159505.27	1193398.50	233537.30	339231.56
2-Hydroxyglutarate/Citramalate	29453.17	4931.39	28424.36	4707.71	7932.72	16906.82	29673.19	20323.19	12240.98	21520.95	21742.65	17769.04	117124.00	30657.97	45281.66
6-Phospho-D-gluconate	18437.43	1392.47	13798.40	993.59	1150.54	2930.58	15605.06	4723.62	5589.79	29679.07	16395.36	0.00	99254.07	4548.56	23138.06
alpha-D-Ribose 1-phosphate	119048.10	1885.30	51515.44	9495.57	3030.83	43655.95	76580.09	45698.67	28583.02	107533.66	47708.30	10403.50	386855.38	9590.70	61851.02
Glutathione	3948014.75	13774.14	524471.12	13907.21	25456.69	31996.73	1880995.88	386151.59	224267.50	927033.19	434840.47	129149.81	138463.42	10460.23	200537.75
Glutathione disulfide	222460.75	0.00	120454.97	34730.59	1740.65	115994.87	126888.69	62231.16	38848.34	122727.38	68409.18	7351.64	806414.31	9446.28	59753.14
5-Oxoproline	134224.47	23526.54	105206.44	33080.70	31508.13	76920.23	123359.71	66855.68	34755.67	105681.53	85035.05	56491.96	22068.44	66165.28	89400.29
S-Glutathionyl-L-cysteine	21007.98	0.00	24053.16	3655.80	0.00	3966.35	16211.28	7081.80	8916.44	16017.79	6413.31	0.00	77381.00	7729.10	20297.74
Dehydroascorbate	80715.43	14184.44	51338.59	40096.92	19572.29	37831.19	70050.72	54467.77	47150.89	80629.88	75729.85	31987.02	248064.05	52245.13	124001.19
N-Acetylneuraminate	67545.26	16193.16	49343.46	20473.62	13295.57	42984.62	64276.03	32715.65	23909.77	48596.49	36138.06	37051.36	127915.76	59811.99	43260.57
N-Glycoloyl-neuraminate	19538.63	774.48	12024.88	5017.46	0.00	12833.29	20449.81	8910.29	7415.15	26386.82	12671.58	0.00	54105.67	15426.98	13387.38
alpha-D-Glucosamine 1-phosphate	65823.38	0.00	41822.79	4162.91	0.00	16457.07	36160.42	20359.38	11412.65	29778.21	17511.84	4136.16	110379.77	4507.94	21628.56
1-4-beta-D-Xylan	218896.00	120345.91	193228.75	201113.00	152713.86	178894.38	235648.89	262693.44	202237.62	157353.20	236309.70	194524.44	266871.75	179374.58	213267.30
UDP-N-acetyl-D-glucosamine	51729.61	1346.44	45817.42	19813.60	3603.83	18338.36	53131.50	34933.40	33041.00	87163.19	54440.71	16173.67	158213.14	0.00	52219.58
Glycolate	136890.77	164971.98	133729.73	157371.55	148095.70	163452.86	175019.12	174242.48	101780.62	258943.67	162687.45	157209.42	134065.20	93047.06	119519.72
Carnosine	0.00	10941.43	5000.81	17487.03	6332.00	7649.51	4954.86	17505.44	10296.76	10663.87	5945.74	19823.89	14287.48	7618.36	4869.74
Phosphocreatine	55552.05	0.00	42383.46	14769.08	5317.07	27685.80	32133.91	28942.31	36503.28	51238.00	43401.19	7332.31	171608.00	0.00	56804.19
quinolinic acid	21551.69	3013.88	26842.03	14235.89	6455.27	25411.79	24636.99	19929.96	10290.48	22409.12	38770.54	15935.05	0.00	0.00	7650.53
Glycerol 3-phosphate	133201.34	2607.07	51291.80	9078.37	5187.96	57068.50	104763.65	29669.08	21642.12	45117.43	33095.29	6874.72	235791.50	15730.36	36484.94
Ethanolamine phosphate	105867.00	2449.01	98246.54	33606.54	17121.38	27963.45	113522.51	63602.62	67012.19	174728.11	68719.42	25779.20	248731.67	23978.17	110204.59
Nonanoic acid (pelargonate)	1256654.75	1284328.88	1266634.38	1736288.00	2407214.75	1438134.88	1442380.00	1753624.12	1421924.62	755517.25	1181980.50	1458227.12	1457327.00	888962.00	950073.44
Decanoic acid (caprate)	710024.31	610773.44	830816.56	825810.00	894891.06	683764.50	829460.06	793737.31	609507.56	483000.16	1067352.62	881783.50	1084053.50	550953.44	720718.69
Dodecanoic acid (lauric acid)	323223.97	338713.84	401158.88	560709.81	562175.62	448004.41	331745.97	391927.53	451929.75	318107.84	391672.75	646604.19	682175.31	317082.50	312644.22
Tetradecanoic acid (myristic acid)	960500.69	981109.50	1227495.38	1671398.88	1339615.75	1410891.62	1212993.88	1179656.12	1219466.38	1092952.00	884129.69	1400347.88	1590671.12	1054305.88	933608.00
Hexadecanoic acid (palmitic acid)	16114149.00	22237812.00	23237064.00	22924358.00	34292884.00	19796016.00	19985980.00	21252176.00	18094534.00	18313574.00	16423165.00	19281856.00	21582826.00	15158445.00	19757544.00
Octadecanoic acid (stearic acid)	3322459.25	2961064.75	5256431.50	3974332.75	2896466.75	3832973.75	3359656.25	2716938.25	4073456.00	2904970.25	3148607.25	5038414.00	5369451.50	3402129.25	2347368.25
Tetradecenoic acid (myristoleic acid)	61088.45	43580.23	53734.85	75810.43	56673.78	50348.11	51336.11	39734.21	60685.11	32838.71	38434.41	70375.03	131768.67	32270.44	37102.39
Hexadecenoic acid (Palmitoleic acid)	486004.47	288335.84	565718.19	392224.97	417151.41	436196.66	626314.50	496015.16	351644.84	293716.22	451759.72	394583.47	1714277.38	324175.09	460923.50
Octadecenoic acid (Oleic acid)	4314890.50	874710.50	3810187.00	1635593.00	1564034.50	2652329.25	3808000.00	2349721.50	2135736.75	1679910.62	2609933.50	1755973.38	12994268.00	2804537.75	2739395.75
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)	5304522.00	832524.69	3759978.75	1599066.00	1073999.88	2907043.25	4663782.50	2676912.50	2000449.38	1736586.38	2720738.75	2410167.50	15230548.00	3734158.00	3230970.00
a-Linolenic acid (Octadecatrienoic acid)	241348.30	35748.64	166239.08	93521.03	40255.86	168985.61	157124.92	115668.75	107795.55	66532.71	114740.04	98933.77	751518.56	161505.31	122253.32
Arachidonic acid (Eicosatetraenoic acid)	2986386.75	1140218.62	1669958.38	1552534.12	1127941.38	4218420.50	4362971.50	1889895.62	1334165.88	1087813.38	1286053.50	2132232.00	5152055.00	3824666.25	2057316.00
Docosahexaenoic acid	2412361.75	679490.94	1335083.12	644606.12	875685.25	1645285.12	1611035.38	930282.00	1107394.12	662736.06	897817.50	1110963.38	6411658.00	1519660.12	1468864.00
Eicosapentaenoic acid	96740.27	33210.21	30771.25	43924.33	42745.75	138805.80	82853.03	37636.78	46894.97	18589.64	24605.52	50693.69	179951.61	102104.25	45349.89
(8Z-11Z-14Z)-Icosatrienoic acid	363750.09	59162.53	200507.00	119227.44	77819.40	205931.06	323662.97	141222.55	123832.38	94347.10	124309.96	146932.56	651451.69	189747.92	167138.77
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid	320793.09	70859.79	153990.06	106771.34	90168.07	190949.88	289995.41	166511.80	120623.59	103596.69	151313.17	134898.73	653578.69	212341.42	192055.25
Hemine	15825.02	4332.25	14349.24	8638.70	2457.01	9019.08	10982.68	10272.68	7177.62	8233.94	11478.79	3787.40	10020.99	13592.86	12783.58

metabolite_name	KEGGID	parent	medRt
glycine	C00037	74.0244	0.6580
ATP	C00002	505.986328	0.536
ADP	C00008	426.020386	0.563
Adenine	C00147	134.046646	0.711
GDP	C00035	442.015167	0.551
CDP	C00112	402.004425	2.141
CMP	C00055	322.042511	0.566
Thymidine	C00214	241.080475	0.669
UDP	C00015	402.99707	0.781
UMP	C00105	323.028381	0.608
IDP	C00104	427.00531	0.559
IMP	C00130	347.038208	0.609
Inosine	C00294	267.071014	0.596
Hypoxanthine	C00262	135.029358	0.593
(S)(+)-Allantoin	C02350	157.036072	0.676
Urate	C00366	167.020218	0.645
3',5'-Cyclic IMP	C00943	329.028961	0.535
Pyridoxal	C00250	166.050262	1.789
UDP-glucose	C00029	565.045105	0.545
ADP-D-ribose	C01882	558.061707	0.584
Phosphate	C00009	96.969231	0.594
Diphosphate	C00013	176.935089	0.59
D-Glucose	C00031	179.055313	0.664
D-Glucose 6-phosphate	C02965	259.021301	0.573
D-Fructose 1-6-bisphosphate	C00354	338.987274	0.523
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	C00118	168.989777	0.584
1-3-Bisphosphoglycerate	C00236	264.950836	0.524
2/3-Phospho-D-glycerate	C00631	184.984756	0.536
Phosphoenolpyruvate	C00074	166.974396	0.529
Pyruvate	C00022	87.008377	0.674
Lactate	C01432	89.02401	0.652
Mannitol	C00392	181.070984	0.667
D-Ribose	C00121	149.045013	0.671
D-Arabitol	C01904	151.060547	0.691
Citrate	C00158	191.018951	0.541
Succinate	C00042	117.018799	0.567
Malate	C00149	133.013672	0.557
2-Hydroxyglutarate/Citramalate	C02630	147.029266	0.559
6-Phospho-D-gluconate	C00345	275.015717	0.554
alpha-D-Ribose 1-phosphate	C00620	229.010849	0.581
Glutathione	C00051	306.075226	0.637
Glutathione disulfide	C00127	611.141785	0.547
5-Oxoproline	C01879	128.03476	0.634
S-Glutathionyl-L-cysteine	C05526	425.078766	0.582
Dehydroascorbate	C05422	173.008347	0.536
N-Acetylneuraminate	C00270	308.097473	0.601
N-Glycoloyl-neuraminate	C03410	324.092377	0.598
alpha-D-Glucosamine 1-phosphate	C06156	258.037354	0.59
1-4-beta-D-Xylan	C02352	131.034424	0.685
UDP-N-acetyl-D-glucosamine	C00043	606.071716	0.549
Glycolate	C00160	75.008438	0.701
Carnosine	C00386	225.097763	0.692
Phosphocreatine	C02305	210.027588	0.542
quinolinic acid	C03722	166.016785	0.654
Glycerol 3-phosphate	C00093	171.005417	0.582
Ethanolamine phosphate	C00346	140.01123	0.621
Nonanoic acid (pelargonate)	C01601	157.122864	2.183
Decanoic acid (caprate)	C01571	171.138306	2.273
Dodecanoic acid (lauric acid)	C02679	199.169449	2.481
Tetradecanoic acid (myristic acid)	C06424	227.200668	2.774
Hexadecanoic acid (palmitic acid)	C00249	255.231857	3.208
Octadecanoic acid (stearic acid)	C01530	283.263123	2.121
Tetradecenoic acid (myristoleic acid)	C08322	225.185013	2.537
Hexadecenoic acid (Palmitoleic acid)	C08362	253.216232	2.843
Octadecenoic acid (Oleic acid)	C00712	281.247437	3.25
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)	C01595	279.231781	2.886
a-Linolenic acid (Octadecatrienoic acid)	C06427	277.216064	2.65
Arachidonic acid (Eicosatetraenoic acid)	C00219	303.231659	2.772
Docosahexaenoic acid	C06429	327.231567	2.66
Eicosapentaenoic acid	C06428	301.216003	2.573
(8Z-11Z-14Z)-Icosatrienoic acid	C03242	305.247314	2.994
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid	C16513	329.247223	2.798
Hemine	C06767	650.136169	4.014