Data for ST003561
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1H-Indol-3-ylmethyl acetate | 822736.72 | 1202741.40 | 704705.00 | 869097.60 | 779920.40 | 738469.04 | 780502.96 | 834728.00 | 864446.68 | 781732.12 | 783040.48 | 837783.52 | |
| 2-Isopropoxyphenol | 1610897.84 | 1324658.29 | 1784237.88 | 1430375.50 | 1970499.02 | 1681570.17 | 1196104.43 | 1545561.74 | 1729779.63 | 1086099.40 | 1394788.84 | 1866761.94 | |
| alpha-Pinene | 442367.75 | 548320.22 | 420526.45 | 498645.27 | 516541.14 | 444726.00 | 534131.80 | 573949.39 | 471814.68 | 465022.77 | 122815.76 | 217702.59 | |
| Amyl salicylate | 474747.68 | 374170.69 | 650845.39 | 662744.42 | 636082.57 | 514141.18 | 624091.34 | 645126.84 | 743657.11 | 490076.97 | 652405.76 | 755388.35 | |
| Anethole | 2057790.94 | 2825686.06 | 1847370.29 | 2885430.44 | 2675890.23 | 3014338.54 | 2752463.05 | 3309053.77 | 2773060.69 | 3550533.09 | 923447.30 | 1743301.55 | |
| Anise alcohol | 238753.99 | 315752.37 | 231012.75 | 200906.55 | 259006.07 | 223463.33 | 216593.62 | 246594.23 | 247778.62 | 160842.01 | 170304.03 | 172980.72 | |
| beta-Caryophyllene | 39758766.08 | 42966556.63 | 40091042.00 | 40928525.25 | 45799321.03 | 39296172.98 | 38055978.49 | 43689159.37 | 37343660.53 | 43592003.12 | 43509926.05 | 36496046.60 | |
| Bis(2-ethylhexyl) phthalate | 373267.95 | 473006.41 | 400608.61 | 314605.80 | 348239.48 | 334453.59 | 287251.57 | 288834.80 | 336656.38 | 491419.68 | 261870.50 | 280749.91 | |
| Caffeine | 3288324.98 | 7904408.32 | 7767893.81 | 3466383.88 | 4408306.34 | 4443530.23 | 3786622.27 | 3315621.84 | 3291036.01 | 7092173.27 | 2864367.43 | 2107989.28 | |
| Carbofuran | 213899.59 | 310715.72 | 306165.06 | 306046.24 | 266253.61 | 275175.86 | 279773.48 | 220857.35 | 308164.32 | 213449.99 | 287277.43 | 315381.92 | |
| Coumarin | 1098382.55 | 811212.42 | 1413716.03 | 837598.08 | 825806.31 | 1136468.60 | 852419.65 | 817732.89 | 812888.88 | 781396.91 | 789535.26 | 764657.26 | |
| Dibutyl phthalate | 1343196.13 | 1860604.57 | 1368956.42 | 1319895.11 | 1478975.68 | 1405881.44 | 1525014.79 | 1425957.88 | 1561719.00 | 1265051.39 | 1362443.78 | 1600349.66 | |
| Dibutyl succinate | 296087.53 | 408118.41 | 304710.94 | 341812.10 | 388901.00 | 349872.72 | 342634.72 | 453839.37 | 370027.18 | 370220.87 | 384524.78 | 416879.26 | |
| Dimethyl benzyl carbinyl acetate | 175851.65 | 171151.90 | 159057.31 | 199812.56 | 152638.83 | 209462.49 | 157169.70 | 120380.58 | 215353.40 | 149573.11 | 208244.26 | 350345.69 | |
| Ethiolate | 1962828.65 | 2703980.36 | 2208250.31 | 2112037.06 | 2261544.50 | 2369268.45 | 2179032.74 | 2883993.52 | 2908768.33 | 2049014.75 | 2377581.22 | 2298894.08 | |
| Flamprop-isopropyl | 163499.69 | 264750.68 | 227797.75 | 198407.11 | 237832.69 | 214499.36 | 214362.69 | 215903.42 | 205331.44 | 203268.58 | 183048.53 | 151944.19 | |
| Fluoranthene | 2351244.79 | 6043938.65 | 10129326.10 | 1244454.11 | 5773231.67 | 10350984.13 | 1145568.77 | 2538891.82 | 10982607.48 | 3128726.88 | 2372133.19 | 10213007.35 | |
| Isomethyl ionone | 671187.55 | 962318.75 | 903166.68 | 825835.80 | 1091246.77 | 1350736.35 | 1014789.27 | 1100454.64 | 907368.70 | 942183.64 | 2541830.18 | 2957060.78 | |
| o-Hydroxybiphenyl | 4098384.08 | 3877803.98 | 3723530.42 | 5466911.23 | 4503674.81 | 4770879.31 | 5333373.77 | 5477848.94 | 5168883.99 | 4606232.58 | 1865757.95 | 3774353.81 | |
| Phenol | 397527.16 | 531696.18 | 486419.31 | 392476.76 | 520705.77 | 501632.21 | 470074.43 | 455015.92 | 449672.64 | 434841.08 | 382702.75 | 337981.27 | |
| Phenol, 2,4-dimethyl- | 739124.08 | 986103.52 | 859695.50 | 737893.24 | 884720.55 | 880792.36 | 916393.78 | 860312.45 | 829233.15 | 758633.16 | 660619.11 | 571488.43 | |
| Phenol, 3-methyl- | 288325.34 | 418645.57 | 329363.12 | 369059.29 | 329041.19 | 274807.19 | 407448.27 | 370201.84 | 309718.45 | 306826.96 | 373088.74 | 334349.19 | |
| Phenol, pentachloro- | 313779.25 | 327961.43 | 355497.14 | 319939.40 | 357565.61 | 384723.89 | 424679.45 | 422378.53 | 334839.79 | 449902.14 | 568327.93 | 597863.80 | |
| Phenol, pentachloro-B | 90280.06 | 99131.95 | 88147.34 | 94541.44 | 102445.28 | 103799.69 | 100517.62 | 111234.52 | 78813.42 | 124003.45 | 286497.62 | 352909.37 | |
| p,p^-DDE | 82911.30 | 103038.73 | 125448.76 | 73661.05 | 101105.20 | 173642.49 | 128510.24 | 93163.40 | 136213.17 | 88707.08 | 141040.38 | 205658.99 | |
| Propylidene phthalide | 340513.66 | 477027.06 | 471947.78 | 408065.25 | 480251.90 | 463893.21 | 463884.89 | 451546.35 | 433622.79 | 447773.98 | 319255.53 | 328761.90 | |
| Pyracarbolid | 98873.55 | 181884.90 | 153753.65 | 120316.78 | 192872.87 | 166363.47 | 166472.87 | 205992.51 | 182213.84 | 165298.35 | 162282.19 | 156458.44 | |
| Pyrene | 165858.27 | 394674.12 | 599268.04 | 120592.22 | 250923.17 | 742870.67 | 112793.39 | 204858.08 | 742051.20 | 257225.61 | 145038.80 | 714557.12 | |
| Salicylaldehyde | 459310.10 | 473152.96 | 637791.76 | 440726.72 | 448082.01 | 723210.44 | 373814.34 | 510827.25 | 613005.80 | 465658.21 | 518561.57 | 500453.13 | |
| Squalene | 1649757.50 | 3035398.51 | 1844996.11 | 1594402.94 | 2379771.48 | 1782689.41 | 2320046.77 | 1662417.68 | 2329241.37 | 1629298.04 | 1596985.03 | 1604438.16 | |
| Tolualdehyde | 102183.08 | 130055.60 | 143241.76 | 120900.48 | 164851.68 | 160701.52 | 155869.44 | 180156.04 | 154764.46 | 151710.33 | 158221.32 | 144227.14 | |
| trans-Amylcinnamic alcohol | 17950164.72 | 22556686.84 | 16362487.29 | 24553647.28 | 24602560.07 | 24380826.56 | 23806319.80 | 28432407.80 | 22412096.76 | 30828681.82 | 6862578.55 | 12619729.69 | |
| Triphenyl phosphate | 721281.91 | 409255.40 | 433966.10 | 430983.50 | 425177.33 | 477773.23 | 437878.35 | 398873.07 | 390660.22 | 458531.50 | 427132.10 | 539274.24 | |
| XMC(3,5-xylyl methylcarbamate) | 123820.35 | 212215.26 | 203640.94 | 155333.77 | 233291.71 | 195220.14 | 243396.84 | 237353.19 | 215178.55 | 204351.36 | 173648.56 | 156756.90 | |
| (Z)-Cinnamaldehyde | 84181.24 | 131122.71 | 128532.28 | 101333.20 | 140990.08 | 133802.87 | 148445.72 | 141550.32 | 141247.21 | 141273.61 | 174713.76 | 132366.10 |
Factors:
| F1 | Sample.x (Timepoint):A | Group:Crohns disease |
| F2 | Sample.x (Timepoint):A | Group:Healthy controls |
| F3 | Sample.x (Timepoint):A | Group:Ulcerative colitis |
| F4 | Sample.x (Timepoint):B | Group:Crohns disease |
| F5 | Sample.x (Timepoint):B | Group:Healthy controls |
| F6 | Sample.x (Timepoint):B | Group:Ulcerative colitis |
| F7 | Sample.x (Timepoint):C | Group:Crohns disease |
| F8 | Sample.x (Timepoint):C | Group:Healthy controls |
| F9 | Sample.x (Timepoint):C | Group:Ulcerative colitis |
| F10 | Sample.x (Timepoint):D | Group:Crohns disease |
| F11 | Sample.x (Timepoint):D | Group:Healthy controls |
| F12 | Sample.x (Timepoint):D | Group:Ulcerative colitis |