Data for ST002471
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 10-Hydroxystearic Acid | 20487901.25 | 17672559.42 | 18752561.17 | 20651758.50 | 44424361.50 | 30912375.93 | 16690010.45 | 13588969.00 | 16586131.50 | 14887233.50 | |
| 10Z-Heptadecenoic acid | 283959.08 | 390904.75 | 268365.72 | 386014.00 | 1102010.00 | 853998.29 | 207429.18 | 362081.00 | 121535.00 | 162614.50 | |
| 11-HDoHE | 93449.56 | 204027.57 | 20815.00 | 11557.00 | 46009.00 | 68210.20 | 50907.12 | - | - | 31389.50 | |
| 11-HETE | 4856.18 | 13069.50 | 551.11 | 951.00 | 1588.50 | 1495.21 | 4628.82 | 997.00 | 605.00 | 4623.00 | |
| 12,13-diHOME | 317871.00 | 116289.08 | 170920.22 | 256292.00 | 591195.00 | 193819.29 | 124808.09 | 426243.50 | 142867.00 | 100640.50 | |
| 12-HETE | 10653.92 | 27398.46 | 1547.56 | 2400.25 | 2823.50 | 3710.86 | 10715.73 | 1678.50 | 453.00 | 13510.00 | |
| 13-HODE | 61173.17 | 54382.21 | 94930.72 | 121814.50 | 1114263.00 | 109316.93 | 36021.91 | 123626.50 | 52844.00 | 64393.00 | |
| 14-pentadecenoic acid | 14667.67 | 14192.33 | 10466.33 | 7399.75 | 18418.50 | 9440.64 | 7108.55 | 28858.00 | 4180.00 | 4072.50 | |
| 15-HETE | 11988.25 | 43646.83 | 1641.11 | 2049.75 | 8568.50 | 2721.57 | 10580.55 | 4205.50 | 316.00 | 10087.50 | |
| 15R-15-methyl PGA2 [iSTD] | 277485.83 | 390241.21 | 226621.50 | 195951.25 | 245148.00 | 213982.79 | 230901.18 | 220001.00 | 204207.50 | 366943.50 | |
| 15R-15-methyl PGF2a [iSTD] | 334660.67 | 550674.25 | 322644.33 | 256420.50 | 359767.00 | 312529.50 | 333894.45 | 297984.50 | 269390.00 | 480364.50 | |
| 15S-15-methyl PGD2 [iSTD] | 127664.92 | 167679.12 | 101353.22 | 93252.75 | 113889.50 | 100432.86 | 105343.82 | 106225.50 | 96115.50 | 179247.50 | |
| 15S-15-methyl PGE1 [iSTD] | 80923.17 | 104869.88 | 64227.94 | 56405.00 | 70688.50 | 61845.93 | 65083.73 | 66748.50 | 60182.50 | 106491.00 | |
| 15S-15-methyl PGE2 [iSTD] | 255543.75 | 358011.67 | 211308.56 | 186195.25 | 240678.00 | 202435.43 | 214383.18 | 219548.00 | 194281.50 | 356737.50 | |
| 17-Methylstearate | 35630.50 | 101648.96 | 20571.06 | 33203.00 | 102550.50 | 35465.64 | 29640.00 | 30735.00 | 15622.00 | 45759.50 | |
| 2-Furoylglycine | 418.08 | 269.78 | 781.78 | 674.00 | 245.00 | 676.93 | 653.91 | 471.50 | 1313.00 | 294.50 | |
| 2-Hydroxyibuprofen | - | 222662.00 | 210401.00 | 2919714.00 | - | - | 10497.00 | - | 100223.50 | - | |
| 2-Hydroxymyristic acid | 15130.25 | 7449.83 | 13137.89 | 18862.25 | 5046.00 | 20251.71 | 10270.00 | 5495.50 | 16123.00 | 20785.50 | |
| 2-Hydroxyoctanoic acid | 146946.58 | 180432.54 | 82785.33 | 138704.50 | 375809.00 | 91866.93 | 160494.27 | 107298.50 | 55212.00 | 135920.50 | |
| 2-Hydroxy palmitic acid | 1022399.17 | 384114.25 | 813587.50 | 1334135.00 | 305227.00 | 873701.93 | 954610.36 | 188323.00 | 1503339.50 | 1373968.50 | |
| 2-Hydroxystearic Acid | 826.55 | 739.61 | 808.47 | 584.50 | 934.50 | 1135.43 | 688.90 | 1007.50 | 759.50 | 983.00 | |
| 3-Hydroxydecanoic acid | 153876.08 | 263419.04 | 109335.17 | 147968.00 | 550299.50 | 98002.14 | 118855.36 | 143490.00 | 46075.00 | 654271.00 | |
| 3-Ketodeoxycholic acid | 630930.92 | 255956.00 | 635866.94 | 185449.50 | 2606729.00 | 764198.50 | 293308.18 | 24043.50 | 561806.50 | 393513.00 | |
| 3-Methyladipic acid | 23556.33 | 35186.38 | 40753.28 | 30095.00 | 48165.00 | 30425.21 | 27519.82 | 10233.50 | 31142.50 | 11445.00 | |
| 3S-Hydroxyhexanoic acid | 664.00 | 760.96 | 424.17 | 851.75 | 1651.00 | 525.93 | 3190.55 | 376.50 | 226.50 | 1071.50 | |
| 4,7,10,13,16-Docosapentaenoic acid | 2298702.75 | 3743870.54 | 1051740.17 | 883293.75 | 2676321.50 | 916773.57 | 1695691.64 | 973434.50 | 1588459.50 | 1657985.50 | |
| 4-Hydroxystyrene | 74019.17 | 32814.67 | 126827.17 | 81640.00 | 495596.00 | 68648.57 | 82046.91 | 20124.00 | 104612.00 | 40959.00 | |
| 5,6 diHETE | 851.73 | 2685.92 | 215.08 | 382.00 | 587.00 | 461.71 | 1074.09 | 477.00 | 311.00 | 1132.00 | |
| 5-Dodecenoic acid | 549.09 | 1001.48 | 392.06 | 499.67 | 991.00 | 437.07 | 450.73 | 1061.50 | 174.00 | 515.00 | |
| 5-HETE | 22238.09 | 48480.83 | 1522.83 | 2638.00 | 14266.00 | 8724.57 | 13227.09 | 3944.50 | 747.50 | 17112.00 | |
| 7-Ketodeoxycholic acid | 270816.42 | 1127791.71 | 727439.56 | 832368.00 | 1556362.50 | 1735874.00 | 2476915.27 | 3271337.50 | 46785.50 | 742803.50 | |
| 9,10-DiHOME | 199634.25 | 86998.62 | 133773.56 | 206211.50 | 297382.00 | 275987.64 | 115254.82 | 273227.00 | 199225.00 | 110800.00 | |
| 9-cis-Retinoic acid | 13396.25 | 16288.75 | 9336.00 | 17054.00 | 1469.50 | 5986.00 | 10554.09 | 75350.50 | 40867.50 | 91357.00 | |
| 9-HETE | 3485.27 | 8186.42 | 314.19 | 458.50 | 682.00 | 1151.64 | 3022.90 | 887.50 | 91.50 | 3536.00 | |
| Acesulfame | 11332.00 | 171520.30 | 79325.73 | 78857.25 | 1690.50 | 16406.00 | 20057.00 | 132628.00 | 6592.00 | 7852.00 | |
| Adrenic acid | 2541198.00 | 5178893.46 | 1120673.06 | 1294997.00 | 1714066.00 | 968417.71 | 2021878.55 | 1514702.00 | 698460.00 | 2243036.00 | |
| Ala - Deoxycholic acid | 37357.67 | 15095.93 | 8934.93 | 502.00 | 8953.00 | 13507.08 | 1718.40 | 516.00 | 22301.00 | 12359.00 | |
| alpha-CEHC | 66769.14 | 80208.33 | 257312.00 | 84313.33 | 54121.00 | 227041.50 | 212206.50 | 287555.00 | 211446.50 | - | |
| alpha-Linolenic acid | 3130725.67 | 2875825.96 | 4982408.50 | 1730564.50 | 4008884.00 | 3610398.14 | 1110979.18 | 987211.00 | 1383214.50 | 620817.00 | |
| alpha-Muricholic acid | 375034.92 | 796579.41 | 663277.59 | 203730.25 | 1065651.50 | 1448311.43 | 1163615.36 | 833202.00 | 166995.00 | 167276.50 | |
| alpha-N-Phenylacetylglutamine | 4387.17 | 64109.96 | 9881.53 | 32604.00 | 766068.50 | 55656.14 | 77752.00 | 163457.00 | 166.00 | 2002.50 | |
| Apocholic acid/12-Ketodeoxycholic acid | 678653.67 | 144448.11 | 443467.12 | 112958.50 | 1512614.50 | 529371.50 | 311468.22 | 5678.00 | 259063.50 | 226516.00 | |
| Arachidic acid | 919467.92 | 1815492.54 | 797926.67 | 1320921.50 | 1690882.00 | 1248855.14 | 945499.91 | 1139453.00 | 1029373.50 | 2029013.50 | |
| Arachidonic acid | 6888590.08 | 15429133.75 | 2050064.72 | 3530906.75 | 3766386.50 | 2003483.14 | 6450346.00 | 6572991.50 | 941553.00 | 8285349.50 | |
| Asn - Cholic acid | 4796.92 | 6758.10 | 5011.18 | 1750.75 | 26185.00 | 23980.75 | 5864.73 | 15283.50 | 238.00 | 2707.00 | |
| Asn - Deoxycholic acid | 3601.82 | 2793.74 | 5363.59 | 2406.00 | 1227.50 | 7692.07 | 3604.10 | 1018.50 | 2280.00 | 182.00 | |
| Asp - Cholic acid | 6657.67 | 8043.65 | 10284.22 | 2069.75 | 13358.50 | 21912.21 | 8986.45 | 15773.00 | 3350.00 | 1581.50 | |
| Asp - Deoxycholic acid | 4999.64 | 601.36 | 7422.82 | 2270.00 | 879.00 | 6549.86 | 3540.20 | 56.00 | 1785.50 | 4840.00 | |
| Azelaic acid | 134264.25 | 173547.79 | 181945.33 | 180579.25 | 247942.50 | 140652.21 | 97224.64 | 70379.00 | 112772.00 | 69441.00 | |
| Capric acid | 21612.50 | 10009.71 | 38005.61 | 7261.25 | 11997.00 | 7181.43 | 17072.91 | 17422.00 | 4804.50 | 9902.00 | |
| Caprylic acid | 4254.83 | 514.38 | 8872.78 | 2235.25 | 906.00 | 628.21 | 7413.20 | 1573.00 | 331.00 | 548.00 | |
| carboxyibuprofen | 616.33 | 19392.58 | 3471.83 | 219749.25 | 1058.00 | 675.93 | 420.73 | 603.50 | 8441.00 | 1275.50 | |
| Carnosol | 30749.00 | 5489.00 | 254546.50 | 63260.25 | 7659.00 | 178240.42 | 176846.50 | 174439.50 | 270829.00 | 32132.00 | |
| Chenodeoxycholic acid | 33291274.25 | 59424229.25 | 18921455.94 | 26585805.25 | 29105739.00 | 25494040.50 | 35391038.18 | 73977955.00 | 2645932.50 | 6742155.00 | |
| Cholic acid | 6760031.08 | 8124135.88 | 2414617.67 | 3462194.25 | 6201527.00 | 4705493.50 | 6183240.36 | 15720842.50 | 199605.00 | 2613016.50 | |
| Cinnamoylglycine | 19902.42 | 19486.48 | 9079.67 | 27749.50 | 4780.00 | 34741.43 | 28385.91 | 41880.50 | 3181.50 | 30010.00 | |
| cis-Erucic acid | 461462.33 | 820451.39 | 418945.28 | 509591.00 | 566274.00 | 356948.14 | 311419.18 | 369838.50 | 238498.50 | 773555.50 | |
| Citrulline - Deoxycholic acid | 2838.12 | 4869.91 | 2254.85 | 571.33 | 2067.00 | 3106.73 | 647.25 | - | 3049.00 | 4155.00 | |
| Dehydroepiandrosterone sulfate | 178224.83 | 256788.83 | 92038.06 | 32270.00 | 86822.00 | 152606.27 | 81064.00 | - | 120860.50 | - | |
| Dehydrolithocholic acid | 1819.90 | 8499.00 | 2540.75 | 5304.00 | 8487.50 | 1553.57 | 2065.60 | 128.00 | 3036.50 | 1157.00 | |
| Deoxycholic acid | 12920670.00 | 5480438.04 | 13295843.44 | 10019464.25 | 11006008.00 | 14389738.43 | 7907744.73 | 4096113.50 | 10638033.00 | 10116098.00 | |
| Docosahexaenoic acid | 1541114.92 | 3353792.58 | 576812.83 | 492623.25 | 1678790.00 | 349588.57 | 985247.00 | 588700.00 | 228050.50 | 1127837.50 | |
| Dodecanedioic acid | 13924.00 | 24196.00 | 15857.00 | 10078.00 | 14816.00 | 12975.86 | 10735.36 | 8000.50 | 7967.50 | 14212.00 | |
| Eicosadienoic acid | 1255841.92 | 2341190.17 | 716199.78 | 611770.50 | 1072398.50 | 683099.86 | 1096465.36 | 836908.00 | 480108.00 | 1292402.50 | |
| Eicosanedioic acid | 2909.25 | 3974.65 | 3099.56 | 3032.25 | 2307.50 | 3052.71 | 3287.91 | 3174.50 | 3521.00 | 2878.50 | |
| Eicosapentaenoic acid | 350016.33 | 578457.92 | 113986.33 | 185029.75 | 154197.50 | 111344.00 | 295589.45 | 195749.50 | 52607.00 | 290230.50 | |
| Eicosatrienoic acid | 4981114.42 | 7325386.38 | 2532696.89 | 2156241.00 | 6488808.50 | 2834352.07 | 4306504.55 | 3775447.50 | 4382648.00 | 6166220.00 | |
| Eicosenoic acid | 897735.42 | 1387846.17 | 778034.72 | 1293318.75 | 1425115.50 | 1023863.86 | 704435.82 | 505356.50 | 602813.50 | 820313.50 | |
| Gln - Cholic acid | 9267.92 | 17283.85 | 6082.33 | 3956.50 | 14888.00 | 19947.54 | 7291.00 | 18837.00 | 1676.00 | 3782.50 | |
| Glu - Chenodeoxycholic acid | 12074.42 | 18206.36 | 30887.17 | 3885.25 | 10521.50 | 40529.43 | 11113.55 | 13234.50 | 1054.00 | 4195.50 | |
| Glu - Cholic acid | 18958.45 | 53226.22 | 56981.72 | 9450.00 | 42715.50 | 135131.36 | 62953.18 | 53154.00 | 2375.00 | 19140.00 | |
| Glu - Deoxycholic acid | 40309.27 | 4959.06 | 54578.83 | 12921.25 | 16771.50 | 48700.93 | 13285.18 | 540.00 | 6804.50 | 7901.50 | |
| Glycochenodeoxycholic acid | 229021.25 | 9944419.67 | 5232301.83 | 100307.00 | 97313.50 | 166169.86 | 118268.18 | 163420.50 | 117574.00 | 172838.00 | |
| Glycocholic acid | 68152.08 | 9731599.75 | 7815415.83 | 16316.50 | 59479.00 | 100761.14 | 58806.64 | 111296.50 | 72660.50 | 45838.50 | |
| Glycodeoxycholic acid | 80425.00 | 1679351.73 | 76577.88 | 8983.75 | 14168.50 | 77195.69 | 9355.36 | 2645.50 | 91593.50 | 31957.00 | |
| Glycolithocholic acid | 44587.91 | 7142.05 | 15167.88 | 5400.67 | 3352.00 | 22999.31 | 2968.62 | 339.00 | 36657.00 | 10355.00 | |
| Glycoursodeoxycholic acid | 8984.42 | 234306.84 | 21044.88 | 5037.75 | 4294.00 | 10651.00 | 5193.27 | 19271.50 | 7690.00 | 3796.00 | |
| Heptylic acid | 1214.50 | 428.94 | 248.11 | 3672.00 | 13.50 | 133.00 | 1030.43 | 58.00 | 18.00 | 732.00 | |
| Hexadecanedioic acid | 35482.08 | 26738.33 | 25065.28 | 24333.50 | 24793.50 | 30992.50 | 21970.64 | 26869.00 | 33536.00 | 53584.00 | |
| Hexose | 1179261.00 | 884640.04 | 741554.50 | 787114.50 | 566759.00 | 743668.14 | 724268.00 | 710235.00 | 455770.00 | 393679.00 | |
| His - Deoxycholic acid | 3210.20 | 3900.36 | 8261.94 | 3351.75 | 5102.50 | 9919.67 | 7534.44 | 140.00 | 1106.50 | 4309.00 | |
| Hydrocinnamic acid | 113637.75 | 101613.17 | 37388.94 | 80684.75 | 227209.00 | 27486.29 | 106123.45 | 16181.00 | 12677.50 | 42594.00 | |
| Hyocholic acid | 661255.00 | 232203.67 | 415483.11 | 583586.25 | 1816124.50 | 422141.14 | 151946.00 | 1550.00 | 321413.50 | 251778.00 | |
| Hyodeoxycholic acid | 709119.00 | 280906.59 | 664514.65 | 309210.25 | 183368.50 | 644394.36 | 370559.82 | 783193.50 | 338722.50 | 255340.50 | |
| Indoleacetic acid | 3497.50 | 6487.92 | 5569.39 | 6949.25 | 3986.00 | 12092.57 | 7425.64 | 2933.50 | 839.00 | 4040.50 | |
| Isoallolithocholic acid | 115035.18 | 86179.06 | 106992.59 | 73618.50 | 107640.50 | 79698.00 | 84553.64 | - | 145355.00 | 107238.00 | |
| Isodeoxycholic acid | 4214249.25 | 740842.75 | 4362611.78 | 1915229.25 | 3388373.50 | 5542957.64 | 2169957.00 | 275810.00 | 5600965.00 | 2569513.00 | |
| Isolithocholic acid | 887885.00 | 168118.83 | 717216.69 | 953198.00 | 69545.50 | 570118.31 | 538496.50 | 9573.50 | 1193148.00 | 582910.50 | |
| Juniperic acid | 3565723.17 | 3535518.25 | 2952928.00 | 3267419.75 | 4394356.50 | 3931769.57 | 3325009.09 | 4041448.50 | 3325870.00 | 4616388.50 | |
| Lauric acid | 371256.33 | 93779.92 | 1284639.44 | 157238.00 | 62533.50 | 98629.43 | 353124.64 | 102061.50 | 30246.50 | 94644.50 | |
| Levulinic acid | 61446.67 | 117775.17 | 42956.72 | 20624.00 | 76979.50 | 43445.36 | 79157.18 | 9970.00 | 31756.00 | 238531.50 | |
| Linoleic acid | 21058359.42 | 26483545.50 | 26457691.17 | 32641609.00 | 67747685.50 | 26203209.50 | 14199690.18 | 24115867.00 | 14045563.00 | 16935109.50 | |
| Lithocholic acid | 4239459.42 | 1288891.67 | 4373085.83 | 3755133.50 | 3430440.00 | 4236998.57 | 2806819.09 | 89117.50 | 3815250.50 | 3740391.50 | |
| L-Urobilin | 1586482.25 | 1122587.17 | 1820115.18 | 2047907.33 | 13088.00 | 1692330.38 | 750158.44 | 286.00 | 175064.50 | 1051905.50 | |
| Lys - Chenodeoxycholic acid | 13769.14 | 5727.56 | 10901.40 | 1874.50 | 14932.00 | 17304.17 | 2811.50 | 185.00 | 14732.00 | 14268.00 | |
| Margaric acid | 2269620.50 | 3823048.33 | 1778820.33 | 2497842.50 | 6024676.50 | 3537648.07 | 2783756.82 | 1950104.00 | 1428243.50 | 2347493.00 | |
| Maslinic acid | 131538.18 | 7371.59 | 51937.00 | 56221.75 | 207607.00 | 1218463.21 | 17284.82 | 8491.00 | 14165.00 | 27875.00 | |
| Met - Chenodeoxycholic acid | 8388.09 | 3425.71 | 12046.72 | 5073.75 | 2821.00 | 10390.07 | 4507.80 | 724.00 | 9074.00 | 10450.00 | |
| Met - Cholic acid | 2976.27 | 18237.14 | 2857.18 | 3388.25 | 7438.50 | 7222.57 | 8635.91 | 15535.00 | 91.50 | 6.00 | |
| Methyl dodecanoate | 11314.08 | 7600.00 | 10426.39 | 12903.75 | 19498.50 | 8837.93 | 9977.73 | 5355.50 | 10159.50 | 8856.50 | |
| Myristic acid | 1207999.25 | 1554648.50 | 1771728.78 | 1328029.00 | 2209440.00 | 1390878.36 | 1335666.82 | 1355509.50 | 546894.50 | 958166.50 | |
| Myristoleic acid | 24303.92 | 30922.00 | 19277.94 | 21642.75 | 70267.00 | 24726.50 | 12830.09 | 59322.50 | 5854.50 | 12546.00 | |
| N-Acetylalanine | 3930.58 | 11639.38 | 3156.67 | 2947.75 | 3808.50 | 3367.71 | 5637.36 | 2731.00 | 2657.00 | 7415.00 | |
| N-Acetyltyrosine | 13934.42 | 16811.70 | 7369.18 | 17557.50 | 12761.50 | 8817.29 | 14787.22 | 9392.50 | 5831.50 | 24319.50 | |
| Nervonic acid | 525600.00 | 1983167.46 | 503828.44 | 1065992.75 | 1080342.50 | 445871.79 | 605862.82 | 313108.00 | 435532.00 | 1183821.00 | |
| Nonadeca-10Z-enoic acid | 194677.92 | 314680.83 | 183219.22 | 278391.50 | 428722.50 | 265894.36 | 141238.82 | 187347.50 | 105843.50 | 128531.00 | |
| Nonadecylic acid | 63301.08 | 183404.12 | 49952.28 | 67327.75 | 285044.00 | 86138.21 | 72454.55 | 85643.50 | 48248.00 | 182339.00 | |
| Oleanolic acid | 529597.40 | 31298.05 | 880830.19 | 61213.25 | 1391789.00 | 476960.64 | 86585.80 | 6309.50 | 176285.00 | 113382.00 | |
| Oleic acid | 20510618.00 | 27903375.00 | 22747795.28 | 37569153.00 | 58863491.50 | 36602507.64 | 16240018.36 | 27046185.00 | 14440100.00 | 21988486.50 | |
| Oxypurinol | 1040915.67 | 1628852.54 | 1358500.17 | 718105.00 | 797070.00 | 1269035.21 | 834575.91 | 1252126.00 | 1324871.00 | 1818914.50 | |
| Palmitic acid | 16442820.42 | 25048751.71 | 13998917.67 | 15985979.75 | 27443285.50 | 19371715.86 | 14372700.55 | 18327750.00 | 14350245.50 | 23356093.00 | |
| Palmitoleic acid | 1768186.92 | 2058071.88 | 1835511.17 | 4597630.75 | 4036508.50 | 3657687.21 | 1295139.18 | 1507831.00 | 1200109.50 | 1200578.00 | |
| Palmitoyl-EA | 33645.17 | 47821.83 | 66955.61 | 31148.75 | 38846.50 | 71643.14 | 61242.64 | 40507.00 | 30497.50 | 85046.00 | |
| Pentadecylic acid | 820763.42 | 1264198.21 | 1041104.17 | 1724107.00 | 1719781.50 | 1314347.43 | 1656833.18 | 766148.00 | 1311917.00 | 977031.50 | |
| Phe - Chenodeoxycholic acid | 9445.17 | 33100.22 | 8456.22 | 9203.25 | 9819.00 | 11776.57 | 17472.73 | 17041.50 | 4860.50 | 2890.50 | |
| Phe - Cholic acid | 15381.58 | 98453.65 | 17858.89 | 8081.50 | 66808.00 | 43642.57 | 99266.09 | 64280.00 | 5676.00 | 5976.50 | |
| Phe - Deoxycholic acid | 23876.08 | 21033.22 | 49739.61 | 20085.25 | 40172.00 | 46067.93 | 23381.64 | 8361.00 | 15879.00 | 19053.00 | |
| Phenyllactic acid | 871099.92 | 502774.38 | 1342144.28 | 957771.50 | 4720470.50 | 763437.29 | 959703.27 | 311865.00 | 1097386.00 | 684335.50 | |
| p-Hydroxyphenylacetic acid | 25372.33 | 135858.75 | 69859.33 | 89936.25 | 33136.50 | 125771.71 | 146078.09 | 59693.00 | 37739.50 | 56370.00 | |
| Phytanic acid | 146973.17 | 92644.58 | 94119.47 | 99239.00 | 196509.00 | 109815.64 | 41025.09 | 13105.00 | 71103.00 | 102801.50 | |
| Porphobilinogen | 9421.83 | 20164.46 | 9068.88 | 7534.25 | 18115.00 | 17009.93 | 14272.36 | 8894.00 | 4377.00 | 11036.00 | |
| Ribothymidine | 16609.42 | 101941.96 | 36268.89 | 11687.75 | 14358.00 | 11451.50 | 34301.55 | 7341.00 | 12201.00 | 16652.50 | |
| Saccharin | 257103.83 | 1166790.79 | 111958.22 | 293188.50 | 9420.50 | 22364.00 | 29075.73 | 367199.00 | 3319.00 | 2888.50 | |
| Salicylic acid | 9561.08 | 28273.62 | 19849.67 | 26461.50 | 37908.50 | 12584.57 | 13902.82 | 27134.50 | 19429.00 | 3678.50 | |
| Sebacic acid | 36124.67 | 41139.25 | 50296.89 | 51138.75 | 32130.50 | 45530.14 | 45841.18 | 14729.00 | 21038.50 | 22323.00 | |
| Stearic acid | 8543802.58 | 16773613.00 | 6966249.39 | 6479282.75 | 12212240.50 | 7505366.14 | 7403563.45 | 9668972.00 | 6532303.50 | 15448857.00 | |
| Taurochenodeoxycholic acid | 73973.00 | 4052194.61 | 265251.28 | 19012.00 | 31101.50 | 24052.29 | 42800.45 | 20883.50 | 26538.00 | 5250.00 | |
| Taurocholic acid | 168862.42 | 18469261.17 | 2056094.00 | 33349.25 | 530122.50 | 48551.57 | 129813.00 | 103119.50 | 18415.00 | 75306.00 | |
| Taurodeoxycholic acid | 30292.92 | 1049812.48 | 77090.17 | 24877.25 | 5894.00 | 45918.21 | 32801.73 | 2732.00 | 3242.00 | 19374.50 | |
| Taurolithocholic acid | 15553.92 | 21832.42 | 18652.11 | 12044.25 | 4218.50 | 16015.93 | 15687.36 | 2934.50 | 6108.00 | 12342.00 | |
| Tetradecanedioic acid | 19462.08 | 21520.21 | 14809.39 | 12939.00 | 14369.50 | 14780.93 | 13761.09 | 14816.00 | 12775.00 | 25708.50 | |
| Thr - Chenodeoxycholic acid | 3020.42 | 3204.09 | 2956.22 | 1832.50 | 1049.00 | 3646.93 | 3220.09 | 10006.50 | 68.00 | 1096.00 | |
| Thr - Cholic acid | 11216.33 | 30051.76 | 18189.83 | 10002.75 | 16168.00 | 41863.43 | 34609.55 | 59245.00 | 4857.00 | 2347.00 | |
| Thr - Deoxycholic acid | 7091.82 | 3647.00 | 12429.12 | 7496.75 | 1242.00 | 10487.79 | 6242.45 | 494.50 | 5527.00 | 3490.50 | |
| Tridecylic acid | 11060.42 | 17558.88 | 10027.94 | 11379.00 | 13810.50 | 10775.21 | 9973.55 | 9990.00 | 8926.50 | 13099.00 | |
| Trp - Cholic acid | 4733.36 | 23363.32 | 11854.50 | 1379.50 | 4179.50 | 22108.64 | 17560.91 | 18723.50 | 13025.00 | 757.50 | |
| Trp - Deoxycholic acid | 20961.91 | 42244.05 | 16508.44 | 3454.75 | 10641.50 | 38020.93 | 7886.27 | 314.00 | 7275.00 | 6844.50 | |
| Tyr - Chenodeoxycholic acid | 8845.25 | 26087.50 | 10171.89 | 5287.25 | 6804.00 | 10915.86 | 14642.18 | 12767.50 | 6177.50 | 1371.00 | |
| Tyr - Cholic acid | 15257.91 | 67602.77 | 21630.39 | 5231.00 | 15152.00 | 27646.29 | 35345.27 | 52621.50 | 2774.00 | 1645.00 | |
| Tyr - Ursodeoxycholic acid / Tyr - Hyodeoxycholic acid | 2540.36 | 2325.50 | 5205.94 | 1992.00 | 3317.00 | 3618.43 | 3080.18 | 3030.00 | 4049.50 | 529.00 | |
| undecanedionate | 22447.58 | 17479.92 | 25624.50 | 33673.50 | 18015.00 | 21384.86 | 15627.73 | 9131.50 | 16425.50 | 14449.50 |
Factors:
| F1 | collectionWeek:0 | PUCAI_C3_WKall:mild |
| F2 | collectionWeek:0 | PUCAI_C3_WKall:moderate/severe |
| F3 | collectionWeek:12 | PUCAI_C3_WKall:inactive |
| F4 | collectionWeek:12 | PUCAI_C3_WKall:mild |
| F5 | collectionWeek:12 | PUCAI_C3_WKall:moderate/severe |
| F6 | collectionWeek:4 | PUCAI_C3_WKall:inactive |
| F7 | collectionWeek:4 | PUCAI_C3_WKall:mild |
| F8 | collectionWeek:4 | PUCAI_C3_WKall:moderate/severe |
| F9 | collectionWeek:52 | PUCAI_C3_WKall:inactive |
| F10 | collectionWeek:52 | PUCAI_C3_WKall:moderate/severe |
