Data for (Study ST001823)
(Analysis AN002959)Values for each metabolite have been scaled by dividing by the mean across all factors Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study| Metabolite | F1 | F2 | F3 |
|---|---|---|---|
| 1,2,3,4-Tetramethyl-1,3-cyclopentadiene | 1.2007 | 0.7471 | 1.0188 |
| 1,3-Divinyl-2-imidazolidinone | 1.8954 | 0.7260 | 0.6704 |
| 1,5-Isoquinolinediol | 0.5064 | 1.0345 | 1.2381 |
| (1R,4aS)-7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid | 0.8553 | 2.1203 | 0.5326 |
| 2,3,4,9-Tetrahydro-1H-?-carboline-3-carboxylic acid | 0.5722 | 2.8875 | 0.3075 |
| 2,3,5,6-Tetramethylpyrazine | 3.3183 | 0.1595 | 0.2101 |
| 2,4-Dimethylbenzaldehyde | 0.9763 | 0.8242 | 1.0973 |
| 2-Acetamidophenol | 2.0867 | 0.6515 | 0.6077 |
| 2-Anisic acid | 0.8990 | 1.0746 | 1.0160 |
| 2^-Deoxyadenosine | 0.4982 | 0.8356 | 1.3386 |
| 2^-Deoxyinosine | 0.6106 | 1.0150 | 1.1937 |
| 2-Hydroxyquinoline | 0.2540 | 1.3081 | 1.2359 |
| 2-Oxindole | 0.7032 | 1.0051 | 1.1507 |
| 3-(2-Hydroxyethyl)indole | 1.1798 | 0.6053 | 1.0982 |
| (3aR,4aS,5R,7aS,8S,9aR)-5-Hydroxy-4a,8-dimethyl-3-methyleneoctahydroazuleno[6,5-b]furan-2,6(3H,4H)-dione | 2.7263 | 0.4580 | 0.3712 |
| (3aR,8R,8aR,9aR)-8-Hydroxy-8a-methyl-3,5-bis(methylene)decahydronaphtho[2,3-b]furan-2(3H)-one | 0.3238 | 3.0815 | 0.3418 |
| 4-Acetamidobenzoic acid | 0.3467 | 1.2007 | 1.2401 |
| 4-Amino-3-hydroxybenzoic acid | 1.0761 | 1.4440 | 0.7459 |
| 4-Amino-6-chloro-1,3-benzenedisulfonamide | 0.5863 | 2.6033 | 0.4377 |
| 4-Aminobenzoic acid | 1.9138 | 0.9419 | 0.5565 |
| 4-Coumaric acid | 0.4010 | 1.1241 | 1.2491 |
| (4E)-8-Hydroxy-4-(1-hydroxy-2-propanylidene)-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid | 0.2733 | 3.2692 | 0.2771 |
| 4-Ethoxy ethylbenzoate | 0.9544 | 0.9726 | 1.0368 |
| 4-Ethylbenzaldehyde | 0.2877 | 0.3672 | 1.6738 |
| 4-Indolecarbaldehyde | 1.3820 | 1.2622 | 0.6759 |
| 4-Methoxycinnamic acid | 0.1493 | 1.0611 | 1.4095 |
| 5-Hydroxyindole-3-acetic acid | 1.8157 | 1.1129 | 0.5243 |
| 5-Methoxyindole | 0.1448 | 2.2577 | 0.8328 |
| 5^-S-Methyl-5^-thioadenosine | 0.7836 | 0.5858 | 1.3121 |
| 6-Hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,9a,9b-octahydronaphtho[1,2-b]furan-2(3H)-one | 0.7756 | 1.0365 | 1.0982 |
| 6-Hydroxymelatonin | 2.0249 | 0.8965 | 0.5211 |
| 6-Hydroxynicotinic acid | 1.3526 | 0.8574 | 0.8870 |
| 6-Methylindole | 1.1504 | 1.4066 | 0.7256 |
| 6-Methylquinoline | 0.5420 | 2.8840 | 0.3248 |
| 8-{3-Oxo-2-[(2E)-2-penten-1-yl]-1-cyclopenten-1-yl}octanoic acid | 0.9887 | 1.5579 | 0.7359 |
| 8-Hydroxyquinoline | 1.0903 | 1.3297 | 0.7938 |
| 9-Oxo-10(E),12(E)-octadecadienoic acid | 1.0647 | 1.4716 | 0.7384 |
| Abietic acid | 1.6028 | 1.9691 | 0.2200 |
| Acetophenone | 1.1153 | 2.3963 | 0.2649 |
| a-Linolenic acid | 0.8721 | 0.7940 | 1.1657 |
| Alizarin | 0.3917 | 0.4254 | 1.5920 |
| Biotin | 0.6140 | 0.9791 | 1.2093 |
| Bis(2-butoxyethyl) ether | 0.9311 | 0.9793 | 1.0456 |
| Bis(2-ethylhexyl) amine | 0.8591 | 1.1188 | 1.0152 |
| Bis(4-ethylbenzylidene)sorbitol | 0.9624 | 0.9251 | 1.0557 |
| Bis(methylbenzylidene)sorbitol | 0.7791 | 0.8597 | 1.1819 |
| Butyl 4-aminobenzoate | 0.6126 | 0.5846 | 1.4010 |
| Cinnamoylglycine | 1.2889 | 0.7018 | 0.9952 |
| Citral | 0.7152 | 1.1193 | 1.0892 |
| Coumestrol | 1.5384 | 0.7451 | 0.8455 |
| Daidzein | 2.7179 | 0.4831 | 0.3634 |
| Decarbamoyloxysaxitoxin | 1.1122 | 0.8289 | 1.0249 |
| Desthiobiotin | 0.4483 | 0.8805 | 1.3426 |
| Diethyleneglycol diacetate | 1.0177 | 0.6583 | 1.1562 |
| Diisobutylphthalate | 0.8841 | 0.9860 | 1.0666 |
| Dimethyl sebacate | 0.6095 | 1.0169 | 1.1934 |
| Docosahexaenoic acid ethyl ester | 2.5692 | 1.0209 | 0.1800 |
| Dodecyltrimethylammonium | 0.9967 | 0.9291 | 1.0360 |
| D-(+)-Tryptophan | 2.1426 | 0.6926 | 0.5590 |
| Ethyl palmitoleate | 2.4389 | 0.7113 | 0.3970 |
| Ethyl paraben | 0.9749 | 0.9923 | 1.0167 |
| Ferulic acid | 0.4868 | 0.8205 | 1.3518 |
| Flavanone | 0.0998 | 0.0762 | 1.9116 |
| Glycyl-L-leucine | 1.6445 | 1.3750 | 0.4859 |
| Ibuprofen | 0.6653 | 1.3863 | 0.9858 |
| Icaritin | 0.4038 | 0.4145 | 1.5910 |
| Indole | 2.7061 | 0.5484 | 0.3380 |
| Isoquinoline | 2.1844 | 1.1467 | 0.3177 |
| Jasmonic acid | 0.7405 | 1.1758 | 1.0488 |
| Kahweol | 1.7871 | 1.2297 | 0.4826 |
| Kynurenic acid | 1.6037 | 2.0311 | 0.1895 |
| L-Phenylalanine | 1.7707 | 0.7159 | 0.7397 |
| L-Tyrosine | 2.3980 | 0.6856 | 0.4306 |
| Methocarbamol | 0.2420 | 0.1585 | 1.7984 |
| Methyl indole-3-acetate | 1.9140 | 0.4472 | 0.7957 |
| Methylparaben | 0.4919 | 0.5683 | 1.4711 |
| MMAI | 0.1799 | 0.1500 | 1.8346 |
| N4-Acetylsulfamethoxazole | 0.2293 | 2.9924 | 0.4337 |
| N-Acetyl-DL-tryptophan | 1.4065 | 0.7311 | 0.9203 |
| N-Acetyl-L-leucine | 2.0136 | 0.5566 | 0.6914 |
| N-Acetylserotonin | 0.6738 | 1.5535 | 0.9006 |
| N-Acetyltyramine | 2.6603 | 0.7123 | 0.2823 |
| N-Benzylformamide | 1.9445 | 0.6285 | 0.6923 |
| N,N^-Dicyclohexylurea | 0.5920 | 1.5991 | 0.9207 |
| Oxprenolol | 0.9732 | 1.2963 | 0.8705 |
| Oxyphenbutazone | 1.6499 | 2.0462 | 0.1583 |
| PEG n5 | 0.9528 | 1.1752 | 0.9396 |
| PEG n6 | 0.8755 | 1.2236 | 0.9561 |
| PEG n7 | 0.9510 | 1.2381 | 0.9101 |
| PEG n8 | 0.9006 | 1.6634 | 0.7303 |
| Phenacetin | 1.8526 | 1.1914 | 0.4673 |
| Pilocarpine | 1.1720 | 0.5420 | 1.1328 |
| Piperonylonitrile | 1.6042 | 0.9889 | 0.6935 |
| (R)-Equol | 0.1612 | 0.8079 | 1.5259 |
| Resorcinol monoacetate | 0.8469 | 0.5285 | 1.3072 |
| Sulfadiazine | 3.6309 | 0.1724 | 0.0426 |
| Sulfamethoxazole | 0.1474 | 3.6651 | 0.1505 |
| Thymidine | 0.5423 | 0.5740 | 1.4424 |
| Thymine | 1.2828 | 0.8943 | 0.9052 |
| Tolycaine | 1.8207 | 0.9794 | 0.5864 |
| Tramadol-N,N-didesmethyl | 2.0969 | 0.6485 | 0.6039 |
| trans-3-Indoleacrylic acid | 2.1446 | 0.6877 | 0.5603 |
| Tropinone | 1.2315 | 1.0155 | 0.8730 |
| Valpromide | 1.2269 | 0.9729 | 0.8960 |
| Vanillin | 0.7890 | 1.6677 | 0.7858 |
| Xanthurenic acid | 1.4203 | 2.1571 | 0.2232 |
Factors:
| F1 | Group:AAD |
| F2 | Group:ABX |
| F3 | Group:CON |
