Data for ST001527
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 12-Aminododecanoic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C 2-Aminobutyric acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C 3-Hydroxypyridine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C 3-Phenyllactic acid | - | - | 12107400.67 | - | 6874578.96 | - | - | - | - | 4438627.50 | 26628859.10 | 21192773.45 | 48208029.81 | - | - | |
| 13C 4-Guanidinobutyric acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C 5-Aminovaleric acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C 5-Aminovaleric acid_analog | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C 5-CMP | - | - | - | 149454.08 | - | - | - | - | - | - | - | 96886.15 | - | - | - | |
| 13C 5-Hydroxytryptophan | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Acetylcholine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Acetyl-L-carnitine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Adenine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Adenosine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Adenosine 5^-monophosphate | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Adipic acid | 32301.46 | 118086.81 | - | 26190.33 | - | - | - | 68729.06 | 81829.41 | - | 10057.42 | 50936.52 | 8319131.22 | - | 65189.39 | |
| 13C Adonitol | - | - | - | 3253262.15 | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Alanine | - | - | - | 1156755.39 | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Alanine_analog | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C alpha-Amino-n-butyric acid | - | - | - | 6779584.11 | - | - | 601020.15 | - | - | - | 1152046.64 | - | - | 923451.00 | - | |
| 13C alpha-D-Glucose1-phosphate_analog | - | - | - | 2437479.43 | - | - | - | - | - | - | - | - | - | 279091.97 | - | |
| 13C alpha-Glycerol phosphate | 12471867.73 | - | - | 47585293.49 | - | - | 2429029.88 | - | - | - | - | - | - | 6551704.95 | - | |
| 13C alpha-Ketoglutarate | 95214.98 | - | - | 227005.98 | - | - | - | - | - | - | 819584.85 | - | - | - | - | |
| 13C Arginine | - | - | - | - | - | 943050.81 | - | - | - | - | - | - | - | - | - | |
| 13C Asparagine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Aspartic acid | - | - | - | 1229854.86 | - | - | - | - | - | - | - | 462695.86 | - | - | 228310.25 | |
| 13C Aspartic Acid | - | - | - | - | - | - | - | - | - | - | 1689448.61 | - | - | - | - | |
| 13C Azelaic acid | 5583.15 | - | - | 26923.00 | - | - | - | 46059.27 | - | - | - | 1813.85 | 2458270.80 | 1509644.01 | - | |
| 13C Benzoic acid | - | - | - | - | - | - | - | - | - | - | - | 79793.40 | - | 2606463.65 | 9795.69 | |
| 13C Betain | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Betaine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Betaine_analog | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Carnitine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Choline | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C cis-Aconitate | - | - | - | 1469392.31 | - | - | - | - | - | - | - | - | - | 967463.98 | - | |
| 13C cis-Aconitic acid | - | - | - | - | - | - | - | - | - | - | 713757.32 | - | - | - | - | |
| 13C Citraconic acid | 503106.01 | - | - | 1061099.27 | - | - | - | 63103.14 | 895695.02 | - | - | - | - | 458518.29 | - | |
| 13C Citrate | - | - | - | 4473753.18 | - | - | 475002.76 | 541301.50 | 24030.23 | 41570.65 | 1649352.26 | - | - | 825046.63 | - | |
| 13C Citric acid | - | - | - | - | - | - | - | - | - | - | - | - | - | 5076936.63 | - | |
| 13C Citrulline | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Coenzyme Q1 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Creatine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Creatinine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Cystathionine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Cystine | - | - | - | - | - | - | - | 16738.59 | 15879.89 | - | - | - | - | - | - | |
| 13C D-Fructose-1,6-Bisphosphate (F1,6BP) | - | - | - | - | 579783.41 | - | - | - | - | - | 27570318.30 | - | - | - | - | |
| 13C D-Fructose-1,6-Bisphosphate (F1,6BP)_analog | 459778.56 | - | - | 7029115.37 | - | - | - | - | - | - | - | - | - | 3109954.52 | - | |
| 13C D-Fructose-6-Phosphate (F6P)_analog_1 | - | - | - | - | - | - | - | - | - | - | 7841822.45 | - | - | - | - | |
| 13C D-Fructose-6-Phosphate (F6P)_analog_2 | - | - | - | 1746681.50 | - | - | - | - | - | - | - | - | - | 96061.26 | - | |
| 13C D-Glucose-6-Phosphate (G6P) | - | - | - | - | - | - | - | - | - | - | 5094769.63 | - | - | - | - | |
| 13C D-Glucose-6-Phosphate(G6P)_analog | 130293.35 | - | - | 921543.66 | - | - | - | - | - | - | - | - | - | 161080.13 | - | |
| 13C D-Glucose (Glc)_analog | - | - | 63382744.65 | - | 15931860.74 | - | - | - | - | - | 34258120.03 | 22156976.75 | 7546914.29 | - | - | |
| 13C DL-Glyceraldehyde 3-phosphate | 54115.38 | - | - | 53023.69 | - | - | - | - | 11304.86 | - | 97946.11 | 243963.56 | - | - | 54698.46 | |
| 13C DL-p-Hydroxyphenyllactic acid | 251445.38 | 36562.05 | - | 204387.22 | - | - | 432933.18 | 64581.65 | 195008.00 | - | 256412.53 | 42025.97 | 331282.37 | 391623.32 | 82119.83 | |
| 13C DL-β-Leucine | - | - | - | 12274.26 | - | - | - | 19397.68 | - | - | - | - | - | - | - | |
| 13C D-(+)-Malic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | 12746600.18 | - | |
| 13C D-Ribulose-5-phosphate | - | - | - | 12500378.52 | - | - | - | - | - | - | - | - | - | 4106968.80 | - | |
| 13C Eicosapentaenoic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Eicosapentaenoic acid (EPA) | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Folic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Fructose | 908220.38 | 1461075.56 | - | 6773711.99 | - | - | 657322.34 | 10955744.63 | 1366191.66 | - | 22189729.33 | 1370681.25 | - | 2806404.53 | 6990462.10 | |
| 13C Fructose_analog_1 | - | - | - | - | - | - | - | - | - | - | - | - | - | 65852998.87 | - | |
| 13C Fructose_analog_2 | - | - | - | - | - | - | - | - | 38902868.59 | - | - | - | - | 52572755.61 | - | |
| 13C G (Guanosine) | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Gluconic acid | 973170.30 | 1155630.66 | - | 11121184.90 | - | - | - | 1252971.58 | 3624597.98 | - | 601965.66 | 2071817.60 | - | - | 1021569.83 | |
| 13C Glucose | 247781288.50 | - | - | 219659510.20 | - | 322985493.30 | 178913004.12 | 343142885.90 | 37687436.78 | - | 106435355.10 | - | 116462839.10 | 76533310.91 | - | |
| 13C Glutamic acid | - | - | - | - | - | - | - | - | - | - | 7840131.62 | - | - | 1772491.04 | - | |
| 13C Glutamine | - | 1084018.02 | - | 73447.44 | - | 13499956.14 | - | 14648.64 | - | - | 1303276.71 | 1053977.25 | - | 4966691.06 | 8276.36 | |
| 13C Glutaric acid | - | - | - | - | - | - | - | - | - | - | - | - | 2507425.64 | - | - | |
| 13C Glutaryl-L-carnitine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Glutathione | - | - | - | - | - | - | - | - | - | - | 12165911.07 | - | 1132423.20 | 1615882.43 | - | |
| 13C Glyceraldehyde 3-phosphate | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Guaiacol | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Guanine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Guanosine | - | - | - | 4508620.57 | - | - | - | 2180099.29 | - | - | 33536658.95 | - | - | - | - | |
| 13C Histamine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Histidine | 25459.21 | 59181.79 | 1059356.06 | 6057879.69 | 648583.88 | 6950000.04 | 1438196.89 | 995034.68 | 789435.83 | 887302.05 | 7168569.87 | 865584.35 | 2271185.99 | 2000600.73 | 79694.27 | |
| 13C Hydroxybutyric acid_analog_01 | 41271.08 | - | - | 9629.60 | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Hydroxybutyric acid_analog_02 | 2428078.52 | - | - | 222778.83 | - | - | - | - | 1107946.14 | - | - | - | - | 83217.36 | - | |
| 13C Hypoxanthine | - | - | - | - | - | 844022.25 | - | - | - | - | 317853.33 | - | - | - | - | |
| 13C Hypoxanthine_analog | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C α-D-Glucose-1,6-bisphosphate | - | - | - | - | - | - | - | - | - | - | - | - | - | 650356.30 | - | |
| 13C Inosine | 1712203.95 | - | - | 7686389.53 | 9841135.43 | 1588810.30 | 2032368.49 | 8970234.17 | 199873.73 | 3820137.83 | 19264959.13 | 1043420.75 | 1110393.12 | 4511973.53 | 117300.19 | |
| 13C Isocitrate | - | - | - | 246389.54 | - | - | - | - | - | - | 536258.78 | 18650.03 | - | - | - | |
| 13C Isoleucine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Itaconic acid | 86616.11 | - | - | 18974.68 | - | - | 53644.90 | - | 16099.62 | - | - | - | - | 17350.13 | - | |
| 13C Lactate | 16888269.50 | 1030716.11 | - | 416680153.34 | 4738618.83 | - | 60204549.49 | 272258234.94 | 5570760.75 | 4374920.11 | 91177353.03 | 16870004.70 | 3405954.48 | 123140142.34 | 4339594.18 | |
| 13C L-alpha-Aminoadipic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C L-alpha-Amino-n-butyric acid | - | - | - | 998862.97 | - | - | - | - | - | - | 10629521.87 | 107903.33 | - | - | 77346.70 | |
| 13C Leucine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Leucine_analog_1 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Leucine_analog_2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Levulinic acid | - | 324296.26 | - | - | - | 323628.99 | - | 20496.02 | - | - | 79922.19 | - | 1778921.18 | - | - | |
| 13C L-Glutathione oxidized | - | - | - | - | - | - | - | - | - | - | - | - | - | 9505355.50 | - | |
| 13C L-Glutathione (reduced) | - | - | - | - | - | - | - | - | - | - | - | - | - | 25578103.35 | - | |
| 13C Linolenic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C L-Pyroglutamic acid | - | - | - | - | - | - | - | 568780.57 | 10650833.72 | - | - | - | - | 20838194.97 | - | |
| 13C L-Pyroglutamic acid_analog_1 | - | - | - | 6216755.55 | - | - | 1906015.15 | 1813685.41 | - | - | - | - | - | 1819938.66 | - | |
| 13C L-Pyroglutamic acid_analog_2 | - | - | - | - | - | - | - | - | - | - | 403304.05 | - | - | - | - | |
| 13C L-Threonic acid | - | 104618.52 | - | 5124123.75 | - | - | - | - | 942084.11 | - | 494124.16 | 2772983.94 | - | - | 342206.95 | |
| 13C Lysine | - | - | - | - | - | 1175965.32 | - | - | 131029.40 | - | 709986.50 | - | - | - | - | |
| 13C Malate | 948077.86 | - | - | 2653027.59 | - | - | 120227.08 | 195910.26 | 5286.34 | - | 4659468.00 | 370506.55 | - | 1246146.58 | - | |
| 13C Malic acid | 111140.37 | - | - | 1850982.94 | - | - | - | - | - | - | 179143.01 | - | - | 432613.57 | - | |
| 13C Mannose | - | - | - | 65851917.50 | - | - | 3500856.32 | 50428561.64 | 2141352.97 | - | - | - | - | 14429854.52 | - | |
| 13C Methionine | - | - | - | 138402.47 | - | - | - | - | - | - | 698192.60 | - | - | - | - | |
| 13C Methionine sulfoxide | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Methylguanosine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C N1-Acetylspermine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C N3,N4-Dimethyl-L-arginine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C N6-Acetyl-L-lysine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C N6,N6,N6-Trimethyl-L-lysine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C N8-Acetylspermidine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C N-Acetyl-DL-glutamic acid | 1099694.62 | - | - | 123373.28 | - | - | - | - | - | - | - | - | - | 3136127.60 | - | |
| 13C N-Acetyl-L-glutamic acid | - | - | - | 387558.33 | - | - | - | - | 18848.09 | - | 13716512.18 | 29641.55 | - | - | - | |
| 13C N-Acetylneuraminic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | 81531.69 | - | |
| 13C Niacinamide | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Nicotinamide | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C N-Isovalerylglycine | - | - | - | - | - | - | - | - | - | - | - | 41609.24 | - | - | - | |
| 13C O-Acetylserine | - | - | - | 7585586.45 | - | - | - | 1506806.40 | - | - | 1183819.47 | - | - | 86299.06 | - | |
| 13C Oleamide | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C O-Phosphoethanolamine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Ornithine | - | 15508.28 | - | 78119.54 | - | - | - | 10969.81 | 18791.50 | - | 461531.82 | 97641.39 | - | - | - | |
| 13C Pantothenic acid | - | - | - | 3670366.10 | - | - | 443238.32 | 216271.81 | - | - | 184724.68 | - | - | 22747.84 | - | |
| 13C Phenylalanine | - | - | - | - | - | - | 187246.36 | - | - | - | - | - | - | - | - | |
| 13C Phenylpyruvic Acid | - | - | 31671396.84 | - | 23615858.96 | - | - | - | - | 1773743.65 | - | - | 9449719.54 | - | - | |
| 13C Pinolenic Acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Proline | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Proline_analog | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Propionylcarnitine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Pyridoxal | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Pyridoxine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Pyroglutamic acid | - | 4571207.34 | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Pyruvate | 1651800.00 | - | - | 3221362.85 | - | - | 2901611.54 | 30706819.57 | 55003.74 | - | 6406372.50 | 132300.48 | - | 2005115.94 | - | |
| 13C (R)-2-Hydroxybutyric acid | - | - | - | 44674.08 | - | - | - | - | - | - | 1622517.54 | 16552.87 | - | - | - | |
| 13C Ribose | - | - | - | - | - | - | - | - | - | - | 3324180.48 | - | - | - | - | |
| 13C Salicylic acid | 505508.13 | - | - | 684704.67 | - | - | 1441211.77 | 6538678.12 | 745189.34 | - | 1921121.55 | - | 572234.66 | 1016176.21 | - | |
| 13C Salsolinol | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Sarcosine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Serine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Sorbitol | - | - | - | 11345396.27 | - | - | - | - | - | - | 6001832.20 | 133145.38 | - | 3916041.07 | - | |
| 13C Spermidine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Spermine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Succinate | - | - | - | - | - | - | - | - | 463802.82 | - | - | - | - | 511488.79 | - | |
| 13C Succinate_analog | - | - | - | - | - | - | - | - | - | - | 1435597.51 | - | 986376.33 | - | - | |
| 13C Succinic acid | - | - | - | - | - | - | - | - | 1178653.94 | - | - | - | - | 575383.90 | - | |
| 13C Sucrose | - | - | - | - | - | - | - | - | 246451.68 | - | - | - | - | - | 5405.28 | |
| 13C Taurine | - | - | - | 1055485.58 | 557553.51 | - | - | - | 93956.38 | - | 17424983.12 | 304761.71 | - | 2218902.49 | 230060.80 | |
| 13C Thiamine | 7389.00 | - | - | - | - | - | - | - | - | - | - | 37466.75 | - | - | - | |
| 13C Threonine | - | - | - | - | - | 5881397.29 | - | - | - | - | - | - | - | - | - | |
| 13C trans-Ferulic acid | - | - | 321676.27 | - | - | - | - | - | - | - | - | - | 4134572.22 | - | - | |
| 13C Tryptophan | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Tyrosine | 21071.32 | - | - | - | - | - | - | 15629.52 | - | - | - | 71332.46 | - | - | 249507.76 | |
| 13C UDP-Glucose | - | - | - | - | - | - | - | - | - | - | 10262092.58 | - | - | 1945300.93 | - | |
| 13C UDP-N-acetylglucosamine | - | - | - | - | - | - | - | - | - | - | - | - | - | 1666794.34 | - | |
| 13C Urea | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Uric acid | 159810.40 | - | - | - | - | - | - | 1145462.57 | - | - | - | 651281.32 | - | - | - | |
| 13C Uridine | 336550.12 | 866321.27 | - | 1674643.89 | - | - | - | 651879.91 | 875678.59 | - | 3532138.53 | 233960.20 | - | - | 401558.37 | |
| 13C Urocanic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Urocanic acid_analog | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Vaccenic Acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Valine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 13C Xanthine | 254451.83 | - | - | 1056711.10 | - | 1804859.87 | 180483.20 | 675701.58 | 13281.42 | - | - | 1655929.34 | - | 432641.16 | 16349.10 | |
| 13C Y (Pseudouridine) | 161515.29 | 351928.85 | - | 457243.79 | - | - | - | 157533.83 | 873178.09 | - | 137775.06 | 168390.02 | - | - | 263800.45 | |
| 1-Methyl-L-histidine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 2-Aminoadipic acid | - | - | - | - | - | - | - | - | 853835.57 | - | - | - | - | 1985547.67 | - | |
| 2-Aminoadipic acid_analog | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 2-Hydroxybutyric acid | - | 701480.80 | - | - | - | 9525686.46 | - | - | - | - | - | - | - | - | - | |
| 2-Hydroxycinnamic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 2-Hydroxyvaleric acid | - | - | - | - | - | - | - | - | 2415668.49 | - | - | - | - | 7126331.92 | - | |
| 2-Ketobutyric acid | - | - | 4055285.79 | - | 2359749.92 | - | - | - | 3337568.24 | 3179694.39 | 21318517.94 | 4909251.14 | 175200672.20 | 3214427.76 | - | |
| 2^-O-Methyladenosine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-Hydroxybutyric acid | - | - | 2213380.31 | - | 606045.62 | - | - | - | 16042366.52 | 1436614.56 | 11651376.74 | 14089492.87 | 2565880.35 | 19938321.41 | - | |
| 3-Hydroxypyridine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-Methyl-L-histidine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-Phenyllactic acid | - | - | - | - | - | - | - | - | - | - | 3490987.03 | 375225.91 | 2491928.13 | - | - | |
| 3-Ureidopropionic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 4-Acetamidobutanoic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 4-Guanidinobutanoic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 4-Guanidinobutyric acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 4-Methyl-2-oxovaleric acid | - | 958618.38 | - | - | - | 3896557.26 | - | - | 4211880.22 | - | - | - | - | 1724958.87 | - | |
| 4-Methyl-5-thiazoleethanol | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 4-Nitrophenol | - | - | - | - | - | - | - | - | 3570926.29 | - | - | - | - | 4964567.21 | - | |
| 4-Oxoproline | 9897731.66 | 2341263.64 | - | - | - | - | - | 3178947.61 | 67968.03 | - | 32070.67 | 1047254.36 | - | - | 73987.95 | |
| 4-Oxoproline_analog | 218246858.90 | - | - | 262401512.80 | - | - | 227074760.57 | 520992654.70 | 75048405.78 | - | 74960373.22 | - | 49816788.02 | 95133413.39 | - | |
| 5-Aminovaleric acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 5-Aminovaleric acid_analog | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 5-CMP | 43750.45 | - | - | 497106.81 | - | - | - | - | 155612.14 | - | 153322.36 | 203917.66 | - | - | 347233.36 | |
| 5-Hydroxyindole-3-acetic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 5-Hydroxytryptophan | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 6-Hydroxycaproic acid | 7465643.30 | - | - | 6363024.64 | - | - | 655102.10 | 6237583.61 | 2844477.15 | - | 610429.17 | - | 200482.16 | 3318222.55 | - | |
| Acetylcholine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Acetyl-L-carnitine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Acetyl-L-glutamic acid | - | - | - | - | - | - | 288757.07 | - | - | - | - | - | - | - | - | |
| Adenine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Adenosine | - | - | - | - | - | - | - | - | - | - | - | - | - | 724869.06 | - | |
| Adenosine 5^-monophosphate | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Adipic acid | 1253039.90 | 4086936.21 | 10874369.96 | 2964252.33 | 11277419.32 | 30486402.03 | 2710781.79 | 3094243.90 | 3110944.65 | 6362866.88 | 10340567.25 | 11780800.08 | 48953348.85 | 4896887.00 | 1228448.02 | |
| Adonitol | - | - | - | 2821986.38 | - | - | - | 1022644.17 | 726663.72 | - | - | - | - | 3630456.89 | - | |
| Alanine | 2454961.34 | - | - | 10175502.31 | - | - | 3794982.90 | 1924455.66 | - | - | 7125770.65 | - | - | 3454068.39 | - | |
| Alanine_analog | - | - | - | - | 1800196.81 | - | - | - | - | 10333017.27 | 31637683.71 | 6203789.52 | - | - | - | |
| alpha-Aminoadipic acid | 2316879.03 | - | - | 14175599.68 | - | - | 1778370.15 | - | - | - | 2866270.23 | - | - | 6640295.67 | - | |
| alpha-Amino-n-butyric acid | 7043866.64 | - | - | 33622274.61 | - | - | 10543676.32 | 3802866.05 | - | - | 19208015.12 | - | - | 15139189.09 | - | |
| alpha-Glycerol phosphate | - | - | - | - | - | - | 500228.63 | - | - | - | - | - | - | 393759.49 | - | |
| alpha-Ketoglutarate | 1396396.99 | 451214.87 | 1067868.93 | 2236785.09 | - | - | 1191834.88 | 560393.86 | 1649335.88 | 701868.80 | 3543488.21 | 3500246.70 | 48525479.82 | 1829627.94 | 94068.75 | |
| alpha-Ketoglutaric acid | - | - | - | - | - | 1444608.75 | - | - | 5353044.28 | - | - | - | - | - | - | |
| Aminobutanoic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Aminobutanoic acid_analog_1 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Aminobutanoic acid_analog_2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Aminobutyricacid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Aminoisobutyric acid | - | - | - | - | - | - | - | - | - | - | - | - | - | 15646357.33 | - | |
| Arachidonic acid (ARA) | 155500.83 | 89912.97 | - | 235672.80 | - | - | - | 154441.59 | 255189.46 | - | 133572.49 | 164192.57 | - | - | 150008.70 | |
| Arginine | - | - | 5014795.23 | - | 3119814.08 | 20562729.54 | - | - | 923018.96 | 2339867.45 | 37438869.26 | 25093058.48 | 32506167.40 | 1421923.52 | - | |
| Asparagine | - | - | - | - | - | 16034273.57 | - | - | 1400599.41 | - | - | - | - | 1929143.31 | - | |
| Aspartic acid | 1502473.16 | 1672524.55 | - | 14334087.97 | - | - | - | 1526423.87 | 2914422.17 | - | 3591773.51 | 29066707.59 | - | - | 5662490.91 | |
| Aspartic Acid | - | - | 571945.68 | - | 997374.94 | - | - | - | - | 894018.46 | 16388745.21 | 8426752.53 | 990859.15 | - | - | |
| Azelaic acid | 10370468.54 | 18052266.62 | 110926275.90 | 10823159.11 | 76644041.07 | 24235994.31 | 14919905.31 | 10612794.64 | 45846843.01 | 74361987.54 | 41317743.79 | 34355146.69 | 57805424.23 | 17615478.75 | 8565548.92 | |
| Benzoic acid | 9308934.24 | 1082573.71 | - | 8418527.62 | - | - | 9031751.22 | 8936228.14 | 49922798.28 | - | 4828633.14 | 2138890.03 | 7138648.73 | 19945017.53 | 1306053.09 | |
| Betain | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Betaine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Betaine_analog | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Caffeine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Carnitine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Carvone | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Choline | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| cis-Aconitate | - | - | - | 13230547.12 | - | - | 2531288.93 | 1737163.41 | 3572021.74 | - | 5450959.85 | - | 568661.03 | 17245177.93 | - | |
| cis-Aconitic acid | - | - | 3337741.47 | - | - | 118488278.90 | - | - | 628497.46 | - | 4252231.78 | 3265193.48 | 5639769.71 | 3073695.23 | - | |
| Citraconic acid | 3802610.26 | - | - | 74636982.44 | - | - | 6512584.54 | 6308145.45 | 32917423.34 | - | 3683404.12 | - | 10843872.77 | 39739107.80 | - | |
| Citrate | - | - | - | 11390983.08 | - | - | 11977853.04 | 4578900.35 | 12942063.13 | - | 1017418.39 | 218669.20 | 1476581.40 | 15845289.10 | - | |
| Citric acid | - | - | - | - | - | 21535606.24 | - | - | 8753327.34 | - | - | - | - | 37078912.48 | - | |
| Citrulline | 50806.55 | 160642.66 | - | 841020.97 | - | 3015476.09 | - | 400694.14 | 171456.63 | - | 255754.24 | 306646.72 | - | 2814313.72 | 187278.21 | |
| Coenzyme Q1 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Creatine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Creatinine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Cystathionine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Cysteine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Cystine | 162080.57 | 204911.10 | 11857585.13 | 113654.07 | 2156683.10 | - | - | 476421.09 | 406560.87 | - | 5461079.80 | 3397247.37 | 14922456.25 | - | 222296.58 | |
| Cystine_analog | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Cytidine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Cytosine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Decanoic acid | - | - | - | - | - | 225401.44 | - | - | 191443.79 | - | - | - | - | - | - | |
| D-Fructose-1,6-Bisphosphate (F1,6BP) | - | - | - | - | - | - | - | - | - | - | 1633403.02 | - | - | - | - | |
| D-Fructose-1,6-Bisphosphate (F1,6BP)_analog | - | - | - | 1878077.92 | - | - | 111464.72 | - | - | - | - | - | - | - | - | |
| D-Fructose-Phosphate_analog_1 | - | - | - | - | - | - | - | - | - | - | 2139049.46 | - | - | - | - | |
| D-Fructose-Phosphate_analog_2 | - | - | - | 429049.71 | - | - | 191525.35 | - | - | - | - | - | - | - | - | |
| D-Glucose-6-Phosphate (G6P) | - | - | - | - | - | - | - | - | - | - | 4073772.59 | - | - | - | - | |
| D-Glucose-6-Phosphate (G6P)_analog | - | - | - | 595794.42 | - | - | 341173.03 | - | - | - | - | - | - | - | - | |
| D-Glyceraldehyde3-Phosphate(GADP) | 1804851.71 | - | - | 2048755.95 | - | - | 1956871.92 | 1970945.97 | 1989859.96 | - | 2047494.52 | - | - | 1996004.57 | - | |
| Dihydrothymine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| DL-Glyceraldehyde 3-phosphate | 615640.60 | 912785.55 | - | 411491.91 | - | - | - | 405830.29 | 13330592.38 | - | 394717.87 | 342435.44 | - | 31442178.60 | 490936.95 | |
| DL-β-Leucine | 55763.46 | - | - | 247973.31 | - | - | - | 173006.01 | 1303549.91 | - | - | 5106179.86 | - | - | 368645.83 | |
| DL-p-Hydroxyphenyllactic acid | 684098.16 | 21668.51 | - | 3406637.55 | - | - | 829761.13 | 2714706.90 | 334938.70 | - | 1306464.29 | 332031.80 | - | 2954894.15 | 85587.48 | |
| DL-Stachydrine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| D-(+)-Malic acid | - | - | - | - | - | - | - | - | 14231745.05 | - | - | - | - | 73648850.00 | - | |
| D-(-)-Mannitol | - | - | 7615133.04 | - | 970203.09 | - | - | - | 6274770.13 | 12761778.91 | 40097728.52 | 4119567.19 | 4776270.05 | 2735112.83 | - | |
| Docosahexaenoic acid (DHA, FAC22:6n3) | 98424.39 | 84997.02 | - | 214973.15 | - | - | - | 160493.94 | 236022.88 | - | 149722.18 | 152309.54 | - | - | 156508.43 | |
| Dodecanedioic acid | - | 47416759.55 | - | - | - | 6286281.96 | - | - | 2937875.62 | - | - | - | - | - | - | |
| D-(-)-Ribose | - | - | - | - | - | - | - | - | 7656502.35 | - | - | - | - | 4093060.64 | - | |
| D-Ribulose-5-phosphate | 2231700.04 | - | - | 4031020.24 | - | - | 5571256.58 | 361055.12 | 480450.31 | - | - | - | - | 1696211.13 | - | |
| Eicosapentaenoic acid (EPA) | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Estrone | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Ethanolamine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Folic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Fructose | 582066.02 | 94542.74 | 2096337.95 | 180394.22 | 2940084.71 | 2086003.84 | 769552.47 | 1676968.55 | 1346570.37 | 8803651.84 | 6430629.19 | 1618406.46 | 3301612.08 | 1357475.37 | 147542.42 | |
| Fructose_analog_1 | - | - | - | - | - | - | - | - | 66986039.64 | - | - | - | - | 25032611.23 | - | |
| Fructose_analog-2 | - | - | - | - | - | - | - | - | - | - | - | - | - | 15016113.76 | - | |
| Fumarate | 171561.86 | 196038.76 | 195213.59 | 375760.16 | 1769637.59 | - | 157372.15 | 144475.57 | 104263.83 | - | 304430.96 | 437315.63 | 869252.33 | 276614.64 | 181677.97 | |
| Fumarate_analog_1 | 193401.19 | 151828.47 | - | 203850.14 | - | - | - | 368399.25 | 168452.84 | - | 158862.74 | 210631.97 | - | - | 216025.89 | |
| Fumaric acid | - | - | - | - | - | 1795380.82 | - | - | 16720847.78 | - | - | - | - | 14910749.60 | - | |
| gamma-Aminobutyric acid | - | - | - | - | - | 2965468.50 | - | - | - | - | - | - | - | - | - | |
| gamma-Amino-n-butyricacid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| G (Guanosine) | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Gluconic acid | 2009082.60 | 4509829.16 | - | 4244905.94 | - | - | - | 995233.18 | 3299264.31 | - | 2162191.15 | 5595577.70 | - | - | 2164548.62 | |
| Glucose | 3292821.13 | - | - | 4290357.18 | - | 4330075.91 | 3569869.84 | 3837442.83 | - | - | - | - | - | 510860.79 | - | |
| Glucose 1-phosphate | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Glucose-6-phosphate | - | - | - | - | - | - | - | - | - | - | - | - | - | 7729307.60 | - | |
| Glucose_analog | - | - | 2929886.44 | - | 7120848.52 | - | - | - | - | 4386963.47 | - | - | - | - | - | |
| Glutamic acid | - | - | 2760924.13 | - | 2200442.91 | - | - | - | - | 228851.59 | 47128994.22 | 14195631.26 | 13410435.05 | 18121905.54 | - | |
| Glutamine | - | 47454352.02 | 4341301.91 | 10859108.06 | 2485491.46 | 255427758.10 | - | 1663582.49 | 4275352.21 | - | 11487146.59 | 18192465.21 | 6111721.34 | 29409463.86 | - | |
| Glutaric acid | 5961474.89 | 9036001.80 | 5446542.34 | 5612739.06 | 2203823.39 | 6255721.64 | 4183543.75 | 5102990.55 | 10455659.60 | 3488383.79 | 16364793.24 | 45890262.79 | 79478104.58 | 13379198.10 | - | |
| Glutaryl-L-carnitine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Glutathione | - | - | 5322764.89 | - | - | - | - | - | - | 1754261.58 | 131641975.10 | 4139667.17 | 2382637.96 | 7266545.54 | - | |
| Glyceraldehyde 3-phosphate | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Glycine | - | - | 1093918.03 | - | 471133.07 | 2135889.77 | - | - | - | - | 12268773.51 | 2136583.40 | 1024247.45 | 2053415.12 | - | |
| Guaiacol | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Guanine | - | - | 1877160.49 | - | 1148018.30 | - | - | - | - | - | 14029114.17 | 2557040.77 | 1566327.02 | - | - | |
| Guanosine | 684978.11 | - | 17320254.70 | - | 3651686.22 | - | 8012680.99 | 16159127.96 | - | - | 39665420.90 | 14378367.81 | 6767932.98 | 2657073.37 | - | |
| Hexanoic Acid (FAC6:0) | - | - | - | - | - | - | - | - | 3757209.82 | - | - | - | - | 3957536.04 | - | |
| Histamine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Histidine | 5168658.08 | 1959997.16 | 27178149.80 | 94875931.14 | 16947459.89 | 112270101.60 | 27583594.24 | 17425424.99 | 14748364.76 | 21215285.21 | 119378123.99 | 27557567.71 | 23340905.08 | 40631998.20 | 2177517.61 | |
| HODE_analog | - | - | 2563481.99 | - | - | - | - | - | - | 1716116.51 | 3186020.42 | 2810741.88 | - | - | - | |
| Hydroxybutyric acid_analog_1 | 5948246.99 | - | - | - | - | - | 1877431.04 | 4788060.03 | 10243055.44 | - | 807174.74 | - | 7186717.72 | - | - | |
| Hydroxybutyric acid_analog_2 | 9598080.84 | - | - | 8144629.63 | - | - | 938542.11 | 16885601.38 | 10930321.10 | - | 1475475.13 | - | 2690729.52 | 9511168.29 | - | |
| Hydroxy-proline | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Hypoxanthine | - | - | 1577951.76 | 1780316.40 | 5469471.17 | 22092274.44 | - | - | 840701.25 | 324693.04 | 26052659.13 | 5835015.55 | 3516704.11 | - | 63145.49 | |
| α-D-Glucose-1,6-bisphosphate | 6016066.08 | - | - | 5883337.59 | - | - | 3296542.52 | 6687980.39 | 3810301.21 | - | 6876918.75 | - | 6212863.08 | 5789452.12 | - | |
| Inosine | 2383185.70 | 15763.43 | 3386125.71 | 4315834.79 | 7703299.55 | 17007963.03 | 14328563.83 | 16839939.76 | 1327897.83 | - | 61031334.41 | 4170584.00 | 7089427.48 | 12869262.27 | 400243.85 | |
| Isobutyric acid | - | - | 2693105.53 | - | 1036703.43 | - | - | - | - | 1295818.01 | 7982683.85 | 10168951.27 | 36542683.13 | - | - | |
| Isocitrate | 111452.02 | 199479.61 | 889654.43 | 837575.61 | - | - | 182448.19 | 177348.53 | 384568.43 | - | 24724078.61 | 5044371.89 | 21766089.55 | 853220.88 | 185511.49 | |
| Isoleucine | 644714.28 | 1446112.90 | - | 3923448.88 | - | - | - | 2715048.74 | 2624622.50 | - | 2703891.99 | 3907080.16 | - | - | 2072408.53 | |
| Isoleucine_analog | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Itaconic acid | 95997553.11 | 435828.44 | 66570368.02 | 122043464.20 | 18339019.25 | - | 13124912.24 | 31270541.61 | 108532782.11 | 50027051.88 | 127803571.62 | 514767855.70 | 1167936948.36 | 54206221.70 | - | |
| Lactate | 45286324.68 | 74036222.06 | 60455629.62 | 75203027.26 | 84825897.65 | 46153701.83 | 44560228.79 | 70845053.29 | 74542315.36 | 99622167.65 | 122644397.35 | 155039443.93 | 327107017.79 | 50792377.21 | 86857132.33 | |
| L-alpha-Aminoadipic acid | - | - | - | 1428176.53 | - | - | - | - | 1097766.48 | - | - | 3788927.47 | - | 38156802.09 | 1591414.85 | |
| L-alpha-Amino-n-butyric acid | - | - | - | 6868154.66 | 1624890.14 | - | - | - | 635809.39 | - | 27305492.04 | 6087803.55 | 18627125.45 | - | 1184852.40 | |
| L(-)-Carnitine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Leucine | 571999.97 | 4432332.15 | - | 3099322.69 | - | 20374731.44 | - | 2595374.54 | 3477770.99 | - | 539487.39 | 3171139.76 | - | - | 1724198.55 | |
| Leucine_analog_1 | - | - | - | - | - | - | - | - | - | - | 9953567.40 | 1913715.32 | 780140.04 | - | - | |
| Leucine_analog_2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Levulinic acid | 1038893.19 | 3481490.09 | 33485045.48 | 2722968.51 | - | 10137063.51 | 559128.29 | 1481396.52 | 2956164.11 | 17057406.34 | 47964401.80 | 464665248.10 | 464476263.05 | 1506492.23 | 237912.41 | |
| L-Glutathione oxidized | - | - | - | - | - | - | - | - | 1528551.73 | - | - | - | - | 31842942.41 | - | |
| L-Glutathione (reduced) | - | - | - | - | - | - | - | - | - | - | - | - | - | 96609716.50 | - | |
| Lidocaine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Linolenic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| L-Kynurenine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| L-Pyroglutamic acid | 15192220.24 | 19999186.58 | - | 15584521.32 | - | - | - | 46478062.39 | 143345985.69 | - | 13500878.96 | 74904236.67 | - | 412341722.30 | 22466499.75 | |
| L-Pyroglutamic acid_analog | - | - | 53707074.03 | - | 47627856.30 | - | - | - | - | 66821057.77 | 662665025.60 | 109385240.80 | 82258067.84 | - | - | |
| L-Rhamnose_analog | - | - | - | - | - | - | - | - | - | 264326.82 | 1289604.04 | 997041.57 | 642358.57 | - | - | |
| L-Threonic acid | 872911.56 | 2874231.05 | - | 3271584.48 | - | - | - | 337013.01 | 1176402.33 | - | 3839873.57 | 733739.76 | - | - | 568607.83 | |
| L-Threonine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| L-Tryptophan | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Lysine | - | 1288844.38 | 2236159.93 | - | 616938.93 | 22869095.65 | - | - | 8802484.13 | - | 18382100.74 | 4431190.71 | 3258993.11 | - | - | |
| Malate | 3427275.27 | 2203837.69 | 3349197.20 | 15010340.06 | 1087889.89 | - | 8484353.91 | 3284381.48 | 940737.80 | 4042709.00 | 20989915.89 | 19745263.25 | 6990261.70 | 16845707.90 | 1538855.46 | |
| Maleic acid | 15745613.92 | 2800490.50 | 8020735.64 | 5772360.70 | 10247210.61 | 16242820.94 | 9753090.32 | 8885164.24 | 10724554.30 | 11761632.16 | 7567051.07 | 18378248.87 | 24865568.52 | 7152091.11 | - | |
| Malic acid | 992535.53 | 1409751.89 | - | 10391291.87 | - | 16084501.33 | 2008063.03 | - | 3597891.70 | - | 3973562.93 | - | - | 3672707.25 | - | |
| Malonic acid | 6804302.36 | 117301.77 | 471423.48 | 4341302.16 | 813345.16 | 2293219.49 | 9315305.95 | 1367960.68 | 13645056.45 | 1249242.16 | 5075693.89 | 2573867.39 | 18236604.47 | 4639082.90 | 175819.81 | |
| Mannitol | - | 12561994.79 | - | - | - | 21721022.10 | - | - | - | - | - | - | - | - | - | |
| Methionine | 42978.80 | 99213.06 | - | 737554.80 | 527487.81 | - | - | 917415.94 | 622396.88 | - | 36520738.81 | 2157307.36 | - | 2775872.91 | 462231.15 | |
| Methionine sulfoxide | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Methylguanosine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| N1-Acetylspermine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| N3,N4-Dimethyl-L-arginine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| N6-Acetyl-L-lysine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| N6,N6,N6-Trimethyl-L-lysine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| N8-Acetylspermidine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| N-Acetyl-alpha-glucosamine phosphate | - | - | - | - | - | 2099197.75 | - | - | - | - | - | - | - | - | - | |
| N-Acetyl-D-Glucosamine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| N-Acetyl-DL-glutamic acid | 2859403.66 | - | - | 1683620.97 | - | - | 1149248.90 | 248113.12 | - | - | - | - | - | 11428342.15 | - | |
| N-Acetyl-Glucosamine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| N-Acetyl-L-glutamic acid | 43611.56 | 76092.90 | - | 2961685.29 | - | - | - | 38644.78 | 69339.20 | - | 14265138.39 | 1529078.01 | 2965073.71 | - | 34816.04 | |
| N-Acetylneuraminic acid | - | - | - | - | - | - | - | - | 14376432.25 | - | - | - | - | 40169678.65 | - | |
| Niacinamide | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Nicotinamide | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Nicotinamide adenine dinucleotide phosphate (NADP) | - | - | - | - | - | - | - | - | 117172.45 | - | - | - | - | - | - | |
| Nicotinic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| N-Isovalerylglycine | 152703.35 | 57420.89 | - | 837869.60 | - | - | - | 435481.44 | 149404.83 | - | 99427.84 | 297795.90 | - | - | 748243.62 | |
| N,N-Dimethylsphingosine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| None Hypoglycin A | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| N-Phenylacetylglutamine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| O-Acetylserine | 1014389.84 | - | - | 23151191.70 | - | - | 2243214.58 | 6541735.37 | 299363.98 | - | 7224450.84 | - | - | 6074430.54 | - | |
| Oleamide | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| O-Phosphoethanolamine | - | - | - | 3076867.29 | 1947937.66 | - | - | - | 280721.41 | - | 93273255.15 | 6216086.26 | 461368.66 | - | 469039.80 | |
| O-Phosphorylethanolamine | 4131397.49 | - | - | 45994242.49 | - | - | 14831053.45 | 7385459.79 | - | - | 4955247.72 | - | - | 10805998.03 | - | |
| O-Phosphorylethanolamine_analog | - | - | - | - | - | - | 2607034.39 | - | - | - | - | - | - | - | - | |
| Ornithine | 297700.73 | 539677.11 | 2284333.71 | 1565931.08 | 1585555.69 | - | - | 1333348.42 | 3011100.91 | 1508283.17 | 8139572.88 | 3796169.25 | 9279249.09 | - | 354158.12 | |
| Oxalic acid | - | - | - | 2268182.89 | - | - | 1696631.51 | 200419.70 | 7019973.32 | - | 844908.24 | - | - | 6396749.79 | - | |
| Pantothenic acid | 12038630.65 | - | - | 79477852.17 | - | - | 9750132.31 | 41910851.97 | 1904228.94 | - | 50225494.17 | 18741039.94 | 9580697.84 | 13568259.68 | - | |
| Phenylalanine | 46860891.38 | 13887903.80 | 12973566.89 | 419097534.20 | 17168855.97 | 74628249.06 | 42802860.57 | 251027768.40 | 11111350.44 | 7983618.73 | 146398635.58 | 47946087.29 | 14077014.21 | 69672795.25 | - | |
| Phenylpyruvic Acid | - | - | - | - | - | - | - | - | - | - | - | - | 155531.34 | - | - | |
| Pinolenic Acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Pipecolic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Pipecolinic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Pipecolinic acid_analog | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Proline | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Propionylcarnitine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Putrescine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Pyridoxal | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Pyridoxine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Pyroglutamic acid_analog | - | 59427391.71 | - | - | - | 173815742.30 | - | - | 162391034.40 | - | - | - | - | - | - | |
| Pyruvate | 8140439.65 | 444355.01 | 28961611.39 | 7899527.15 | 20119370.69 | 3127163.32 | 2849797.24 | 3265860.65 | 7149520.86 | 40677902.21 | 82715381.08 | 44889174.99 | 980998.45 | 15432514.46 | 916504.40 | |
| Pyruvic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | 19836200.59 | - | |
| (R)-2-Hydroxybutyric acid | 1554413.81 | 337843.50 | 25930803.51 | 11543450.70 | - | - | - | 596272.98 | 11322324.82 | 2746459.86 | 992978.56 | 29128281.51 | 784985785.70 | 40098880.96 | 2396434.64 | |
| Ribose | - | - | - | - | - | - | - | - | - | 746054.44 | 7815665.38 | 44103240.96 | 39805822.39 | - | - | |
| (S)-(+)-1,2-Isopropylideneglycerol | - | - | - | - | - | - | - | - | 7271795.69 | - | - | - | - | 15476380.45 | - | |
| S-Adenosylhomocysteine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Salicylic acid | 3722483.83 | 2848022.26 | 3532416.85 | 5135005.98 | - | 31471549.92 | 1920341.07 | 2176945.23 | 8692500.73 | 8424654.32 | 13852956.02 | 12821816.61 | 30716063.01 | 4374935.61 | 236441.35 | |
| Salsolinol | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Sarcosine | - | - | - | - | - | - | - | - | 2050500.47 | - | - | - | - | 6858116.44 | - | |
| Sarcosine_analog | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Serine | 308591.54 | 1607250.24 | 5967921.71 | 3988088.31 | 6097479.54 | 36000326.75 | - | 1097451.86 | 1592068.43 | 2465659.22 | 15138225.26 | 5159804.21 | 2691845.44 | 6332251.28 | 999842.26 | |
| (S) HODE | 1406298.50 | 625700.31 | - | 2316444.43 | - | - | 5112150.62 | 1339437.55 | 3283445.00 | - | 1557729.72 | 640082.58 | 2299311.16 | 5026363.39 | 726667.63 | |
| Sorbitol | 822127.47 | 209989.68 | - | 2150223.63 | - | - | 2707873.82 | 2104406.46 | 1539944.79 | - | 1678853.73 | 867353.94 | 1552877.88 | 2863729.56 | 2068344.52 | |
| Spermidine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Spermine | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Stearic acid | - | 21526545.97 | - | - | - | 1115429.94 | - | - | 758314.36 | - | - | - | - | - | - | |
| Suberic acid | - | 30481965.14 | - | - | - | 56037088.04 | - | - | 14238094.01 | - | - | - | - | - | - | |
| Succinate | 22831611.63 | 1735384.27 | - | 36506346.57 | - | - | 31977033.98 | 7166021.37 | 24635888.13 | - | 9113793.71 | 4850218.60 | 13411235.51 | 43415609.05 | 1568117.78 | |
| Succinate_analog | - | - | 86735114.89 | - | 126273133.50 | - | - | - | - | 96959299.72 | 63815117.24 | 192907210.70 | 262243515.30 | - | - | |
| Succinic acid | - | - | - | - | - | 41453872.32 | - | - | 83422139.81 | - | - | - | - | 113676954.20 | - | |
| Sucrose | 160586.29 | 319278.29 | 40396274.03 | 275958.15 | 36977415.26 | 27863736.82 | - | 223511.33 | 21412274.92 | 17402745.43 | 36994032.11 | 17569757.13 | 70622787.37 | 35244726.99 | 161442.57 | |
| Tartaric acid | - | - | - | 14497386.01 | - | - | 1002229.52 | 2370425.82 | 3104792.15 | - | - | - | - | 8699108.65 | - | |
| Taurine | 1471314.47 | 1031660.62 | 38534472.12 | 80278718.24 | 29183761.14 | 28269124.33 | - | 683378.55 | 17385928.15 | 2045280.88 | 475603773.16 | 22861943.78 | 7860856.66 | 158474532.30 | 6156143.84 | |
| Thiamine | 8189164.39 | 75252.26 | - | 10035110.11 | - | - | - | 3703633.18 | 272807.03 | - | 4633609.44 | 212448.71 | - | 42110500.35 | 203880.22 | |
| Threonine | 935249.55 | 9678641.30 | 25969511.75 | 9044148.97 | 17888485.21 | 148974557.00 | - | 3364171.86 | 12905116.09 | 9208382.82 | 108500478.15 | 14103709.79 | 23630560.87 | 86414528.79 | 2531194.04 | |
| trans-4-Hydroxy-L-proline | - | - | 470208.46 | - | 591486.37 | - | - | - | - | - | 3198243.00 | 463530.30 | - | - | - | |
| trans-4-Hydroxy-proline | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| trans-Ferulic acid | - | 487541.74 | 4546137.06 | 116096.64 | - | - | - | 115452.03 | 3274749.65 | - | - | 81031.45 | 1222215.37 | - | 36733.93 | |
| Tryptophan | - | 1560161.14 | - | - | - | 11375348.71 | - | - | 6739687.42 | - | - | - | - | - | - | |
| Tyrosine | 279430.54 | 8022019.88 | 12179136.03 | 11466018.25 | 11331296.46 | - | - | 5246574.37 | 16056097.98 | 3468531.28 | 26854837.18 | 12576412.46 | 2006563.96 | - | 535339.99 | |
| Ubiquinone Q1_analog | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| UDP-Glucose | - | - | - | - | - | - | - | - | - | - | - | - | - | 274558.06 | - | |
| UDP-N-acetylglucosamine | - | - | - | - | - | - | - | - | - | - | - | - | - | 1005760.88 | - | |
| UMP | 26401.06 | 19153.17 | - | 479464.91 | - | - | - | - | 129679.09 | - | 105883.42 | 229678.05 | - | - | 298954.95 | |
| Urea | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Uric acid | 11317633.53 | 3783509.25 | - | 42653209.28 | - | - | 27152436.31 | 44955788.88 | 29682443.76 | - | 20386291.36 | 6269077.30 | - | 352728907.30 | 488236.41 | |
| Uridine | 5467167.13 | 73499.40 | 10031222.52 | 10019907.44 | 5333540.31 | 28685157.19 | 22829600.70 | 27212008.43 | 726734.02 | - | 18565017.04 | 4114639.49 | 7357939.24 | 9144567.39 | 936292.34 | |
| Uridine monophosphate (UMP) | - | - | - | - | - | - | - | - | - | - | - | - | - | 12240057.23 | - | |
| Urocanic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Urocanic acid_analog | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Vaccenic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Vaccenic Acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Valine | - | 3817802.12 | - | - | - | 2912183.88 | - | - | 2122353.66 | - | 3481470.18 | 1263643.44 | 1229163.03 | - | - | |
| Xanthine | 4444537.06 | 289026.53 | 3329601.20 | 16250905.36 | 9151910.50 | 40811440.44 | 6333302.11 | 8864280.75 | 748950.97 | 1262427.53 | 6073725.99 | 10309304.58 | 3180366.21 | 12576093.13 | 537043.82 | |
| Y (Pseudouridine) | 19172.00 | 13614.75 | - | 11847680.01 | - | - | 1452712.14 | 5135506.10 | 3863776.89 | - | 536604.60 | 993028.67 | - | 20523716.05 | 83982.82 |
Factors:
| F1 | Tumor_staging_before_chemo:1 | Chemo_response_numeric:- |
| F2 | Tumor_staging_before_chemo:1 | Chemo_response_numeric:1 |
| F3 | Tumor_staging_before_chemo:1 | Chemo_response_numeric:3 |
| F4 | Tumor_staging_before_chemo:2 | Chemo_response_numeric:- |
| F5 | Tumor_staging_before_chemo:2 | Chemo_response_numeric:1 |
| F6 | Tumor_staging_before_chemo:2 | Chemo_response_numeric:2 |
| F7 | Tumor_staging_before_chemo:3 | Chemo_response_numeric:- |
| F8 | Tumor_staging_before_chemo:3 | Chemo_response_numeric:2 |
| F9 | Tumor_staging_before_chemo:3 | Chemo_response_numeric:3 |
| F10 | Tumor_staging_before_chemo:3 | Chemo_response_numeric:4 |
| F11 | Tumor_staging_before_chemo:4 | Chemo_response_numeric:- |
| F12 | Tumor_staging_before_chemo:4 | Chemo_response_numeric:2 |
| F13 | Tumor_staging_before_chemo:4 | Chemo_response_numeric:3 |
| F14 | Tumor_staging_before_chemo:4 | Chemo_response_numeric:4 |
| F15 | Tumor_staging_before_chemo:- | Chemo_response_numeric:- |
