metabolite_name G7_1 G7_2 G7_3 G10_2 G10_3 G14_1 G14_2 G14_3 G15_1 G15_2 G15_3 P7_1 P7_2 P7_3 P10_2 P10_3 P14_1 P14_2 P14_3 P15_1 P15_2 P15_3 Succinate 318 246.2 229 12.5 4.6 5.8 0 11 0 3.6 1.7 1.8 1.7 4.5 0 4.2 30.8 5.7 10.4 0 0 0 Acetic acid 3483.3 2619.3 2058.4 123.6 202.9 41.1 11.7 89.9 103.6 37.4 0 0 20.6 1055 233.3 0 38 0.1 17.8 131.2 109.5 109.5 Xanthine 733.8 598 994.6 0 5.1 70.8 32.3 0 0.8 12.4 25.9 0 1.9 383.3 3.3 24.6 143.9 33.9 0 5.9 0 0 Propylene glycol 2.1 0 2.6 1.1 0 0 0 0 0 1.1 0 0 0 0 0.1 0 0.9 0.8 0 0 0 0 2-Hydroxyisovalerate 38.4 87.4 42.7 20.3 1.4 0 0 10.7 30.2 0.1 0 0 0.3 17.6 9.8 0 6.5 2.6 3.8 18.2 5.5 5.5 Fructose 0 0 0 9.4 0 22.7 0 0 55.2 461.4 626.6 0 0 31.8 0 0 0 24.6 84.4 121.6 77.3 77.3 2-Hydroxybutyric acid 69.5 125.6 67.9 305.6 403.6 48.9 0 16 238.6 277.8 261.4 51.5 0 0 138.8 290.8 17 0 48.7 35.9 0 0 Formate 200.2 154.6 128.8 74.6 127.8 1.8 2.8 10.1 52.3 17.9 3.4 20.2 2 34.6 65.5 45.3 7.3 0.9 1.7 33.4 41 41 Hypoxanthine 0.7 0.5 3.8 1.8 1.9 0.2 1.5 0.6 4.8 6.5 5.9 1 0.2 1.4 0.4 0.6 0.7 0.3 0.3 3.2 2.2 2.2 3-Hydroxyisovaleric acid 11.8 0 9.4 3.6 0 1 2.5 3.6 4.9 30.1 23.1 0 0 30.6 0 0 4.2 1.4 0 0.2 0 0 L-Proline 0 0 0 180.4 0 90.6 254.9 120.1 112 0 315.8 0 43.7 0 101 177.2 0 114.3 0 0 0 0 Isobutyric acid 406.1 300.4 231.1 122.4 105.6 110.3 237.5 198.8 360.6 499.8 511.1 128 10.9 203.6 61.4 99.9 109.8 116.1 119.1 264.8 207.9 207.9 L-Leucine 214.5 154 107.7 202.9 188.7 132.8 324.4 230.6 486.4 745.9 657.2 140.5 22.3 114 81.3 172.2 178.2 157.9 173.3 235.1 333.9 333.9 Glycine 317.5 299.2 243.3 206.1 306.4 117.6 448 314.9 439.5 306 269.1 29.3 81.6 318.2 234.6 47.8 164.1 25.7 119.7 408.1 154.3 154.3 Valine 345.5 316.2 198.2 82.5 140.8 100.9 192.1 145.9 413.7 322.6 246.3 128.6 11.8 221.7 46.4 75.8 142.9 133.7 116.2 205.5 189.1 189.1 D-Glucose 46.8 0 451.8 0 6.2 0 0 0 21 0 0 0 0 0 0 0 0 0 223.9 45.4 0 0 Isoleucine 94.6 109.6 50.4 402.8 391.7 172.3 401.9 307.7 888.9 1341.6 1294.9 379.8 28.5 551.5 192.1 284.2 164 158.8 205.2 601.5 422.8 422.8 L-Alanine 236.6 196.2 119.9 199.7 221.8 73.6 174 148.4 174 273 251.4 47.8 21.6 146.3 163.9 222.5 101.4 71.5 65.2 173.3 136.5 136.5 Acetone 58.8 524.6 86.8 33 100.9 6.7 1.9 5.2 9 1.1 5.3 63.8 5.2 228.8 41.8 61.8 33 0.8 32.1 0 0 0 L-Lactic acid 157.8 58.8 62 136.9 133.7 43.4 79.1 93.8 60.6 389.8 217.5 94.6 8.6 297.3 65.3 40.7 71.3 53.4 30 113.3 45.4 45.4 L-Glutamic acid 4138.4 2747.1 2994 1239.2 1561 343.3 1021 544.1 824.9 1279.5 1616.4 2251.8 360.9 2429.1 920.4 1909 462.8 524.8 544.4 787.1 346 346 Glycerol 57.2 359.7 93.8 286.7 306.3 588 1225.9 888.3 1749.4 1103.1 2579.5 510.9 149.7 304 80.1 379.1 595.2 486.1 996.5 762.7 1092 1092 L-Lysine 1009.3 898.6 540.2 69.7 0 95.4 324 120.3 295.1 203 550.5 1316 34.4 0 179.3 249.4 155.6 142.1 187.1 150.9 0 0 Tyrosine 34.8 40.5 36.9 30.6 41.1 14.8 27.1 24.5 29.8 30.3 65.2 24.9 2 53.4 13.7 28 12.8 13.6 6 32.5 36.9 36.9 Creatine 117.9 152.2 62.1 98.3 220.9 23.9 75.3 0 101.1 61.8 154.6 126.6 26.4 0 91.1 97.1 47.7 29.7 110.4 17.3 115.3 115.3 3-Hydroxybutyric acid 42.6 24.2 45.9 55 54.3 83.9 119.3 53.4 39.6 48.8 58.2 57.5 3.3 43.7 19.3 50.1 50.9 31.8 74.8 32.4 23.9 23.9 Creatinine 0 87 0 122.6 24.1 36.9 54.9 86.3 1.9 126.2 33.9 15.7 0 0 0 71.7 118.3 45.3 86.9 17 34.6 34.6 L-Phenylalanine 285.4 200.2 158.5 104.1 138.1 25.8 63.8 47.4 33.8 79 59.5 185.9 8.1 268.6 54.8 110.1 47.6 37.1 33.4 34.8 49.1 49.1 L-Threonine 29.6 34.7 64.1 76.7 55.9 13.3 25.7 28.2 121.9 24.9 153.6 19.2 3.8 197.4 23.2 40.8 16.9 6.2 34.3 78.5 44.4 44.4 Malonate 113 129.2 86.4 0 0 28.4 46.1 17.9 23.1 99.4 352.9 9.3 0 337.6 0 4.6 43.9 7.7 165.9 13.4 82.3 82.3 Dimethylamine 19.7 29 10.2 20.8 19.4 11.6 29.7 24 41.2 36.3 19.6 14 2.1 90.2 8.3 12.3 8.8 12.3 10.8 24.5 11 11 Ethanol 126.3 106.4 101.3 9.3 0 96.2 142.6 47.4 41.1 60.3 0 61.6 5.1 252.6 0 34.3 66.1 23.7 55 49.8 0 0 Isopropyl alcohol 13.6 6.2 18.1 4.5 5.2 5.1 5 9.7 8.2 13.6 13.3 10.2 0.8 30.5 3.2 4.3 6 2.6 1.3 13.2 5.2 5.2 Urea 0 6.1 56.7 5.2 22.7 65.7 142.9 120.9 4.3 103.6 157.3 17.2 7.3 15.8 84.9 24.2 63.3 103.7 0 24.4 225.8 225.8 Methionine 81 0 48 39.7 35.8 11.7 10.7 22.9 13.9 35.3 29.7 99.5 9.5 86.8 36 57 24 10.3 0 5.8 0 0 Myo-inositol 39.1 0 43.4 3.9 0 1.1 24.6 0 93.1 0 338.9 0 0.5 0 0 169 0 0 378.3 0 0 0 L-Histidine 821.1 1427.2 0 3941.8 3208.6 848.7 2108.8 3369.1 3067.8 2737.5 1182.6 3763.6 531.2 5836.5 4177.8 3133.2 1262.8 296.1 484.7 2662.9 2396.8 2396.8 Methanol 10851.9 109799.6 17722.2 17387 17291.1 12581.1 64315.8 17068.3 5461.6 64058.6 71668.3 36794.3 77.4 162013.8 6627.9 34708.2 82658.4 2420 58462 32987 60112 60112 Aspartate 232.2 619.6 106.1 298.4 266.9 42.5 55.1 0 116.5 140.8 207.1 227.3 25.4 1420.4 150.4 151.4 195.9 37.7 134.1 112.5 156.5 156.5 L-Arginine 0 0 0 161.1 476.3 20.5 132.4 27.1 16.3 534.1 441 1083 0 0 179.5 1194.5 0 0 0 0 0 0 Dimethyl sulfone 12.3 57.1 13 30 38.5 12.1 10.6 7.4 15.3 19.9 79.1 39.9 5.4 201.5 27.7 37 19 5.9 41.4 3.1 36.4 36.4 3-Hydroxyisobutyrate 5.6 0 0 152.2 209.6 69.6 56 159.2 134.9 157 218.7 290.3 14.9 601.7 149.1 175.9 77.9 12.2 109.4 158.1 56.2 56.2 Citric acid 105.1 80.3 28.3 50.4 61.6 9.2 37.2 19.7 47.9 52.8 64.6 87 6.2 514.2 34.4 77.2 24.9 8.8 15.9 24.2 17.1 17.1 Betaine 60.2 496.2 125.9 144.3 41.4 94.7 97.7 120.3 25.9 46.7 153 0.4 0 759.3 29.4 138.8 642 0 37 558 367.3 367.3 Choline 0.7 10 8 0 0 0.2 4.1 0.2 0 0 31.4 1 0.7 54.1 0.9 1.1 5.2 0 19.3 4.5 21.1 21.1 L-Ornithine 403 0 0 1219.4 1397.3 182.4 381 362.7 1051.6 1546.7 1427.8 2044.5 221.9 8120 939.6 1837.4 185.2 162.9 257.7 1443.6 811.2 811.2 L-Glutamine 627.5 88.3 236.5 0 183.7 4.6 294.3 0 24 0 0 429.5 0 2195.7 0 165.9 94.2 108.8 0 0.8 125.3 125.3 Pyruvic acid 0 0 0 116.1 0 45.8 73.3 102.4 45.9 114.1 119.7 252.2 20 653.1 95.5 75.5 90 59.6 51.3 80.2 57.4 57.4 Pyroglutamic acid 46.2 0 14.5 94.6 37.9 0 4.3 0 16.2 0 23.9 67.6 0.9 428.6 83.8 78.9 0 2.2 24.2 13.6 2 2 Acetoacetate 8.4 0 3.8 36.7 3 14.4 14.5 5.4 17.4 50.1 13.7 71 3.4 392.5 5.4 30.5 47.7 1.4 38.4 2.3 10 10 Carnitine 6.8 0 35.1 0 0 2.4 7 0.7 0 2.4 53.8 0 0 390.3 0 0 0 7.7 14.4 9.8 18.4 18.4 metabolite_name Succinate Acetic acid Xanthine Propylene glycol 2-Hydroxyisovalerate Fructose 2-Hydroxybutyric acid Formate Hypoxanthine 3-Hydroxyisovaleric acid L-Proline Isobutyric acid L-Leucine Glycine Valine D-Glucose Isoleucine L-Alanine Acetone L-Lactic acid L-Glutamic acid Glycerol L-Lysine Tyrosine Creatine 3-Hydroxybutyric acid Creatinine L-Phenylalanine L-Threonine Malonate Dimethylamine Ethanol Isopropyl alcohol Urea Methionine Myo-inositol L-Histidine Methanol Aspartate L-Arginine Dimethyl sulfone 3-Hydroxyisobutyrate Citric acid Betaine Choline L-Ornithine L-Glutamine Pyruvic acid Pyroglutamic acid Acetoacetate Carnitine