Data for (Study ST001782)
(Analysis AN002893)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 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|
| 10-HDA | 1.5028 | 2.3195 | 0.6451 | 0.8036 | 0.5310 | 0.9020 | 0.6574 | 0.6385 |
| 10-Nitrolinoleic acid | 0.9832 | 0.8632 | 1.1548 | 1.1354 | 0.6904 | 1.1076 | 1.0428 | 1.0226 |
| 11,12-Epoxyeicosatrienoic acid | 0.1387 | 0.2768 | 6.2703 | 0.0911 | 0.4249 | 0.0878 | 0.0593 | 0.6512 |
| 11-Aminoundecanoic acid | 1.1466 | 0.7776 | 0.9108 | 1.1082 | 0.8239 | 1.1211 | 1.1745 | 0.9374 |
| 11-nor-9-carboxy-Delta(9)-tetrahydrocannabinol | 0.1678 | 0.7848 | 0.5754 | 0.7039 | 1.4473 | 1.2050 | 1.1299 | 1.9859 |
| 12,13-DiHODE | 0.7142 | 1.6143 | 0.6594 | 1.2375 | 0.8582 | 1.1285 | 1.0288 | 0.7590 |
| 12-Hydroxydodecanoic acid | 0.1297 | 4.1970 | 0.2837 | 0.8981 | 0.7358 | 0.7235 | 0.6710 | 0.3612 |
| 12-Hydroxystearic acid | 0.6537 | 1.5969 | 0.9600 | 1.2138 | 0.6922 | 1.2022 | 0.7410 | 0.9402 |
| 12(S)-HPETE | 0.7848 | 0.8360 | 2.2906 | 0.8940 | 0.9292 | 0.8923 | 0.7609 | 0.6122 |
| 12(S)-Leukotriene B4 | 0.2792 | 2.6502 | 0.3358 | 2.1737 | 0.4105 | 0.4475 | 0.7378 | 0.9652 |
| 13-HODE | 0.9742 | 1.2909 | 0.9179 | 0.9735 | 0.7492 | 1.1304 | 1.0926 | 0.8713 |
| 1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol | 0.7251 | 1.2954 | 1.5374 | 0.6181 | 0.5207 | 0.7086 | 0.6481 | 1.9465 |
| 1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose | 0.8640 | 0.7854 | 1.2237 | 0.4962 | 1.3542 | 1.0379 | 1.1615 | 1.0772 |
| 16-Hydroxy hexadecanoic acid | 0.2353 | 1.0971 | 0.3460 | 2.1747 | 1.0245 | 1.6803 | 0.9726 | 0.4695 |
| 19,20-DiHDPA | 0.2739 | 3.0618 | 0.3176 | 0.7879 | 0.6369 | 0.4006 | 1.5321 | 0.9892 |
| 1-Aminocyclopropanecarboxylic acid | 1.1293 | 1.2013 | 0.8422 | 0.5887 | 1.2722 | 0.6049 | 1.0388 | 1.3226 |
| 1-Arachidonoyl-sn-glycero-3-phosphocholine | 1.0901 | 1.5074 | 0.8375 | 0.9556 | 0.9937 | 0.8887 | 0.7442 | 0.9828 |
| 1-Hexadecanoyl-sn-glycero-3-phosphoethanolamine | 0.9878 | 1.0569 | 0.9193 | 0.9741 | 1.0406 | 1.0078 | 1.1546 | 0.8589 |
| 1-Methylhistamine | 1.3580 | 0.3447 | 1.8463 | 0.3544 | 1.4176 | 0.4162 | 0.5115 | 1.7513 |
| 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine | 0.9939 | 1.1469 | 0.7583 | 0.9380 | 1.0592 | 1.0637 | 1.2004 | 0.8397 |
| 20-Hydroxyeicosatetraenoic acid | 0.4009 | 3.6336 | 0.6207 | 1.0347 | 0.4300 | 0.6744 | 0.5209 | 0.6849 |
| 2,2^-Iminodipropanol | 0.5037 | 1.1614 | 1.0695 | 0.6630 | 0.7055 | 1.3879 | 0.7117 | 1.7972 |
| 2,4,6-Octatriyn-1-ol | 1.1493 | 0.9780 | 1.5725 | 0.5039 | 1.1528 | 0.5741 | 0.9094 | 1.1601 |
| (±)-2,6-Dimethyl-5-heptenal | 1.3855 | 1.1801 | 0.9341 | 0.5075 | 1.1627 | 0.8718 | 0.8664 | 1.0919 |
| 2,6-Di-tert-butyl-1,4-benzenediol | 0.8079 | 1.3083 | 0.5676 | 1.9617 | 1.0101 | 0.8466 | 0.9576 | 0.5402 |
| 2-Acetyl-4-methylpyridine | 1.0905 | 1.0410 | 1.3180 | 0.5300 | 1.2952 | 0.5692 | 0.9682 | 1.1879 |
| 2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1^,2^,3^-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin | 0.5479 | 1.2822 | 1.6892 | 0.5674 | 0.4449 | 0.7316 | 0.6529 | 2.0839 |
| 2-Dodecylbenzenesulfonic acid | 0.8122 | 0.9389 | 0.9438 | 1.1678 | 0.8985 | 1.0487 | 1.2807 | 0.9093 |
| 2-Ethyl-4,5-dimethylthiazole | 1.5320 | 0.3762 | 0.2445 | 1.2317 | 1.7280 | 0.7310 | 1.6805 | 0.4760 |
| 2-Furoic acid | 0.4148 | 0.7820 | 0.5425 | 1.0019 | 1.3854 | 0.7685 | 1.5946 | 1.5103 |
| 2-Hexenoylcarnitine | 0.7078 | 0.6475 | 0.7246 | 1.7037 | 1.2309 | 0.6429 | 1.6670 | 0.6756 |
| (±)-2-Hydroxy-4-(methylthio)butanoic acid | 1.0593 | 0.8368 | 1.0573 | 1.2614 | 0.8893 | 0.8489 | 1.0287 | 1.0182 |
| 2-Keto-6-acetamidocaproate | 0.7008 | 0.7303 | 0.6326 | 0.7379 | 1.7715 | 0.8365 | 1.2088 | 1.3817 |
| 2-Ketobutyric acid | 1.0548 | 1.0166 | 0.9887 | 0.7034 | 1.1074 | 0.8533 | 1.0796 | 1.1963 |
| 2-Methyl-5-nitroaniline | 0.6372 | 1.2206 | 0.6128 | 1.0606 | 1.3498 | 0.7664 | 1.1780 | 1.1745 |
| 2-Octanamidoacetic acid | 0.2674 | 1.3313 | 0.4085 | 2.0492 | 1.2107 | 1.0151 | 1.0143 | 0.7035 |
| 2-Oxoglutaric acid | 0.9128 | 0.1182 | 0.5084 | 1.0373 | 1.2191 | 1.2619 | 1.7561 | 1.1861 |
| (2S)-2-[(2-Methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid | 1.0453 | 2.5042 | 0.9792 | 0.6497 | 0.8649 | 0.4444 | 0.9787 | 0.5335 |
| 2-tert-Butyl-1,4-benzenediol | 0.8915 | 1.2233 | 0.5659 | 1.4646 | 1.0611 | 1.2025 | 1.0257 | 0.5655 |
| 2-Tetrahydrothiopheneacetic acid | 0.3862 | 0.4171 | 0.4691 | 2.0434 | 1.5767 | 0.5789 | 1.5676 | 0.9610 |
| 3,5-Dihydroxybenzoic acid | 0.9185 | 1.0679 | 0.8401 | 0.6590 | 1.1623 | 1.3331 | 0.6623 | 1.3569 |
| 3, 5-Tetradecadiencarnitine | 0.4248 | 1.1846 | 0.4271 | 1.7939 | 1.2105 | 1.4043 | 1.0172 | 0.5377 |
| 3-Carboxy-4-methyl-5-propyl-2-furanpropionate | 1.8593 | 0.2892 | 0.1886 | 0.8321 | 1.4838 | 1.1814 | 1.7441 | 0.4217 |
| 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid | 0.9784 | 0.5343 | 1.0628 | 1.0564 | 1.1431 | 1.2027 | 1.1640 | 0.8583 |
| 3-Hydroxymethylglutaric acid | 0.4084 | 0.9924 | 0.3869 | 1.4319 | 1.2733 | 0.5424 | 1.8811 | 1.0835 |
| 3-Hydroxysebacic acid | 1.2130 | 0.8607 | 0.9420 | 1.1224 | 0.8528 | 1.1532 | 0.9055 | 0.9505 |
| 3-Hydroxytetradecanedioic acid | 1.1338 | 3.3010 | 0.3196 | 0.7415 | 0.4096 | 0.7485 | 0.4016 | 0.9444 |
| 3-Hydroxytetradecanoyl carnitine | 0.2454 | 2.9227 | 0.1453 | 2.6590 | 0.3741 | 1.0615 | 0.4241 | 0.1681 |
| 3-Mercaptohexyl butyrate | 1.4994 | 1.4072 | 0.9603 | 1.0995 | 0.5350 | 0.6224 | 0.6934 | 1.1828 |
| 3-Methylcyclohexanethiol | 0.9733 | 0.5897 | 0.8448 | 1.0143 | 1.3481 | 1.1337 | 1.1314 | 0.9647 |
| 3-Oxotetradecanoic acid | 0.0943 | 3.5315 | 0.2157 | 1.4121 | 0.7803 | 0.8685 | 0.7294 | 0.3681 |
| 3-Pyridin-3-yl-2-thiophen-2-ylprop-2-enenitrile | 0.0039 | 0.0134 | 0.0175 | 0.0114 | 0.0149 | 7.9087 | 0.0194 | 0.0109 |
| 3-Tert-Butyladipic acid | 0.6629 | 1.2478 | 0.5377 | 1.4091 | 1.1886 | 0.7638 | 1.1942 | 0.9959 |
| 4-Guanidinobutanoic acid | 1.5453 | 0.7079 | 0.6762 | 0.4101 | 0.7375 | 0.4734 | 1.0548 | 2.3949 |
| 4-Hydroxy-5-methyl-3(2H)-thiophenone | 0.8137 | 0.9628 | 0.9118 | 1.0359 | 1.4300 | 1.1215 | 0.9193 | 0.8051 |
| 4-Hydroxybenzenesulfonic acid | 0.1576 | 2.0250 | 0.8249 | 0.0011 | 1.6540 | 0.3721 | 1.3146 | 1.6507 |
| 4-Hydroxycinnamic acid | 1.1474 | 1.1283 | 0.9354 | 0.6882 | 1.3353 | 0.6611 | 1.0761 | 1.0282 |
| 4-Indolecarbaldehyde | 0.7978 | 1.0765 | 0.7186 | 0.5969 | 1.1707 | 0.9326 | 0.9768 | 1.7302 |
| 4-Methylene-L-glutamine | 1.3842 | 0.8687 | 0.9399 | 0.6911 | 1.1778 | 0.8445 | 1.0219 | 1.0719 |
| 4-Oxo-L-proline | 0.7872 | 1.0186 | 1.3501 | 0.7136 | 1.1887 | 0.6168 | 1.0158 | 1.3093 |
| 4-Trimethylammoniobutanoic acid | 1.5848 | 1.1215 | 1.1018 | 0.5539 | 0.6548 | 0.5546 | 0.6104 | 1.8182 |
| 4-Vinylphenol sulfate | 1.1078 | 1.1376 | 0.3388 | 1.5076 | 1.3969 | 0.8189 | 0.6517 | 1.0407 |
| 5-[4-hydroxy-3-(sulfooxy)phenyl]pentanoic acid | 0.0361 | 2.6170 | 1.4304 | 0.0283 | 0.6012 | 0.1746 | 0.5929 | 2.5196 |
| 5-Sulfosalicylic acid | 0.8077 | 0.9114 | 1.2533 | 1.0636 | 0.7352 | 1.0041 | 0.8133 | 1.4113 |
| 6-Hydroxypseudooxynicotine | 0.7284 | 1.2654 | 1.4353 | 0.6606 | 0.5012 | 0.8411 | 0.7025 | 1.8655 |
| 9(S)-HPODE | 0.2214 | 4.2161 | 0.2529 | 1.2162 | 0.3880 | 0.4112 | 0.6350 | 0.6591 |
| A-12(13)-EpODE | 0.7960 | 2.5263 | 0.6595 | 1.0851 | 0.6336 | 0.9309 | 0.7485 | 0.6201 |
| Acetylglycine | 1.1675 | 0.7524 | 0.6922 | 0.8488 | 1.2559 | 0.8111 | 1.1710 | 1.3011 |
| Acetyl tributyl citrate | 0.4590 | 2.4317 | 0.4789 | 1.3352 | 0.7295 | 1.0759 | 0.6822 | 0.8075 |
| Adenosine monophosphate | 0.2314 | 0.1821 | 6.2123 | 0.1962 | 0.2567 | 0.1338 | 0.4607 | 0.3269 |
| Alanylglycine | 0.9391 | 0.9338 | 0.5843 | 0.8502 | 1.2407 | 0.7216 | 1.4573 | 1.2730 |
| Allantoin | 0.5723 | 0.8078 | 0.9624 | 1.0450 | 1.4788 | 0.8031 | 0.9595 | 1.3711 |
| all-trans-Retinoic acid | 1.1924 | 0.9133 | 0.7861 | 1.0803 | 0.9223 | 1.0570 | 1.2142 | 0.8345 |
| Amidosulfonic acid | 0.5378 | 0.5965 | 0.6018 | 1.1727 | 1.2337 | 0.9223 | 1.7810 | 1.1542 |
| Anethole | 0.6262 | 1.3058 | 1.7314 | 0.5490 | 0.4123 | 0.7250 | 0.5027 | 2.1475 |
| Artemether | 0.4284 | 0.5481 | 0.4072 | 0.4624 | 3.2659 | 1.0529 | 1.1063 | 0.7289 |
| Ascorbic acid | 1.3318 | 0.0530 | 0.0645 | 1.2451 | 1.3627 | 0.7209 | 2.4481 | 0.7738 |
| Ascorbic acid 2-sulfate | 0.4552 | 1.1824 | 0.5894 | 1.1533 | 1.0383 | 0.7960 | 1.1156 | 1.6698 |
| Aspartyl-L-proline | 0.7027 | 0.3355 | 0.5204 | 0.9264 | 2.3632 | 0.7695 | 1.3903 | 0.9921 |
| Astilbin | 1.3583 | 1.0879 | 0.5825 | 0.7429 | 1.0213 | 1.7831 | 0.4538 | 0.9701 |
| Avocadene 1-acetate | 0.4820 | 0.8619 | 0.6503 | 0.8911 | 1.2793 | 0.7393 | 1.5099 | 1.5860 |
| Azelnidipine | 1.1809 | 0.2725 | 0.3231 | 1.5260 | 1.4253 | 1.4683 | 0.9402 | 0.8637 |
| Bevenopran | 1.0486 | 1.3701 | 0.6488 | 0.8558 | 1.1891 | 1.0065 | 0.5114 | 1.3696 |
| Bilirubin | 1.1059 | 0.2504 | 0.3578 | 1.2091 | 1.6184 | 1.3237 | 1.2174 | 0.9173 |
| Bisoprolol | 0.5544 | 1.5751 | 0.3380 | 1.8167 | 0.8948 | 1.4741 | 0.8548 | 0.4921 |
| Butopyronoxyl | 0.3751 | 1.9951 | 0.3884 | 1.9985 | 0.7362 | 0.5963 | 1.4644 | 0.4459 |
| (+)-Calycanthine | 0.1296 | 0.7034 | 0.8210 | 1.3423 | 1.4255 | 1.0387 | 1.7463 | 0.7932 |
| (±)-Camphoric acid | 0.2128 | 1.1236 | 0.2343 | 3.3271 | 0.7565 | 0.7004 | 1.2518 | 0.3934 |
| Cascarillin | 0.9152 | 1.1597 | 1.3254 | 0.7909 | 0.4598 | 0.9771 | 0.8473 | 1.5245 |
| Cedefingol | 1.0172 | 1.1252 | 0.7248 | 0.7862 | 1.0717 | 0.9330 | 0.9592 | 1.3827 |
| Chenodeoxycholic acid | 0.3959 | 1.9976 | 0.4039 | 0.7738 | 0.6695 | 0.6356 | 0.6662 | 2.4575 |
| Chlorpromazine | 0.0008 | 0.0019 | 0.0116 | 0.0938 | 7.8822 | 0.0022 | 0.0023 | 0.0053 |
| Cholic acid | 0.6523 | 1.2868 | 0.3440 | 0.7168 | 0.9666 | 0.2231 | 0.7356 | 3.0748 |
| Choline | 0.7085 | 1.0154 | 0.5970 | 0.8725 | 1.4448 | 0.6782 | 1.1595 | 1.5241 |
| Ciclesonide | 1.3078 | 0.7498 | 0.6888 | 1.1559 | 0.8829 | 1.0892 | 1.3968 | 0.7288 |
| CID 12910457 | 0.9470 | 0.9569 | 0.9708 | 0.8901 | 1.1393 | 0.9147 | 1.1430 | 1.0382 |
| CID 134693179 | 0.6592 | 4.4929 | 0.0473 | 0.1255 | 0.5842 | 0.2050 | 0.1566 | 1.7294 |
| Cinnamoylglycine | 0.8961 | 0.9914 | 0.5813 | 0.6236 | 1.2498 | 1.0946 | 1.0500 | 1.5131 |
| cis-4-Decenedioic acid | 0.4712 | 1.5982 | 0.3345 | 1.6270 | 0.9926 | 0.7471 | 1.5342 | 0.6953 |
| cis-5-Tetradecenoylcarnitine | 0.2094 | 1.3616 | 0.2842 | 1.8909 | 1.4006 | 1.2806 | 1.1138 | 0.4589 |
| Citric acid | 0.4668 | 0.8137 | 0.6020 | 0.9648 | 1.3075 | 0.7954 | 1.5827 | 1.4672 |
| Citrulline | 1.2831 | 1.2241 | 0.9925 | 0.6605 | 0.9740 | 0.8906 | 0.9067 | 1.0686 |
| Clozapine | 0.0054 | 0.0012 | 0.0012 | 7.9705 | 0.0026 | 0.0105 | 0.0075 | 0.0011 |
| Clozapine N-oxide | 0.0104 | 0.0120 | 0.0165 | 7.9044 | 0.0143 | 0.0106 | 0.0197 | 0.0122 |
| Creatine | 1.3160 | 0.7849 | 1.3417 | 0.5561 | 1.3457 | 0.5679 | 1.0138 | 1.0740 |
| Creatinine | 0.6782 | 0.5812 | 1.4560 | 1.0714 | 1.0301 | 0.9994 | 1.0199 | 1.1636 |
| Cytosine | 0.7741 | 0.6947 | 0.7095 | 1.5374 | 1.1075 | 0.9095 | 1.3812 | 0.8862 |
| dacisteine | 0.4248 | 0.3775 | 0.1789 | 1.4859 | 1.3105 | 1.4161 | 1.6898 | 1.1165 |
| Daidzein | 1.6955 | 0.4797 | 1.0253 | 0.5220 | 1.4382 | 0.9508 | 0.6492 | 1.2393 |
| Deoxyuridine | 1.3164 | 0.5352 | 0.8986 | 1.0815 | 1.1836 | 0.9820 | 1.2585 | 0.7443 |
| D-Glucuronic acid | 1.2585 | 0.0587 | 0.0779 | 1.4949 | 1.1722 | 0.8486 | 2.2402 | 0.8490 |
| DIBOA-Glc | 2.1924 | 1.4341 | 1.5760 | 0.3673 | 0.3671 | 0.9544 | 0.5901 | 0.5186 |
| Dibutyl malate | 0.3712 | 5.3398 | 0.1763 | 0.4868 | 0.4651 | 0.3827 | 0.3339 | 0.4443 |
| Dibutyl phthalate | 1.3149 | 0.4988 | 0.0893 | 1.2017 | 1.8456 | 1.1699 | 1.7291 | 0.1508 |
| Diethyl pyrocarbonate | 0.9140 | 0.6351 | 1.1453 | 1.0048 | 1.1359 | 1.0657 | 1.2234 | 0.8758 |
| Dihexyverine | 0.8216 | 0.9065 | 0.8792 | 0.8383 | 1.0376 | 0.8569 | 1.5597 | 1.1001 |
| Dihydromethysticin | 0.6662 | 1.3098 | 1.7572 | 0.5558 | 0.3775 | 0.6685 | 0.6670 | 1.9980 |
| Dihydroroseoside | 0.8264 | 0.8149 | 0.6611 | 1.6649 | 1.3066 | 1.5052 | 0.7103 | 0.5106 |
| Diphenol glucuronide | 1.1625 | 1.1448 | 1.3315 | 0.3942 | 1.1262 | 1.1459 | 0.3272 | 1.3677 |
| DL-Glutamate | 1.0208 | 0.8793 | 0.6505 | 0.7216 | 1.6198 | 0.7380 | 1.2192 | 1.1507 |
| D-Mannose | 0.8950 | 0.7596 | 1.1431 | 0.9582 | 1.0498 | 1.1425 | 1.2071 | 0.8447 |
| Docosahexaenoic acid | 0.6401 | 1.2097 | 1.1103 | 0.9255 | 1.2521 | 0.8440 | 0.9781 | 1.0402 |
| Dodecanedioic acid | 0.6693 | 1.9714 | 0.2724 | 0.9520 | 0.9939 | 0.7964 | 0.9221 | 1.4225 |
| Dolichol phosphate | 0.8589 | 0.8924 | 1.4031 | 0.8168 | 0.6206 | 0.8742 | 0.8959 | 1.6382 |
| D-Phenyllactic acid | 0.6445 | 0.7154 | 0.8984 | 1.2928 | 0.9154 | 0.7548 | 1.2936 | 1.4851 |
| D-Proline | 1.1250 | 1.1280 | 0.9666 | 0.5922 | 1.3671 | 0.6446 | 0.8459 | 1.3306 |
| D-Xylonic acid | 0.8866 | 0.6273 | 1.0306 | 0.9042 | 1.2099 | 1.1611 | 1.2013 | 0.9789 |
| Ecgonine | 0.3275 | 1.4184 | 0.3723 | 1.6135 | 1.4529 | 0.7480 | 1.3655 | 0.7019 |
| Ectoine | 2.0273 | 0.3426 | 0.2319 | 0.4233 | 1.6247 | 1.1059 | 0.6640 | 1.5804 |
| Enviradene | 0.7919 | 0.9858 | 1.0787 | 0.7340 | 1.0187 | 0.8520 | 1.4462 | 1.0927 |
| Ethyl glucuronide | 0.9402 | 1.0468 | 1.3763 | 0.8909 | 0.6558 | 1.0435 | 0.6625 | 1.3840 |
| Ethyl vanillin isobutyrate | 0.7638 | 1.2374 | 1.5864 | 0.6774 | 0.4866 | 0.7779 | 0.6349 | 1.8357 |
| Fagomine | 0.9844 | 0.7829 | 0.9565 | 1.0045 | 1.2557 | 0.9070 | 1.1782 | 0.9307 |
| Fenethazine | 0.7537 | 0.6205 | 0.6464 | 0.6792 | 3.0882 | 0.7673 | 0.7503 | 0.6944 |
| Floionolic acid | 0.5321 | 2.1415 | 1.0058 | 0.5159 | 0.5137 | 1.2397 | 0.3927 | 1.6587 |
| Formiminoglutamic acid | 1.4668 | 0.3118 | 1.0863 | 0.8448 | 1.0904 | 1.3003 | 1.3245 | 0.5751 |
| Fumaric acid | 0.7907 | 0.3117 | 0.4503 | 0.7367 | 1.2398 | 0.9341 | 1.8205 | 1.7161 |
| (±)-Furaneol | 0.8048 | 1.3828 | 0.6619 | 0.8609 | 1.4088 | 0.7882 | 1.1413 | 0.9513 |
| Galactitol | 0.3684 | 0.4566 | 0.5125 | 0.8191 | 1.5479 | 0.5019 | 1.6857 | 2.1078 |
| Genistein | 1.0483 | 0.4773 | 0.9420 | 0.8061 | 1.3567 | 1.5367 | 0.6274 | 1.2054 |
| Gluconic acid | 0.5154 | 0.5610 | 0.5975 | 0.9364 | 1.7210 | 1.0131 | 1.8177 | 0.8380 |
| Glu-Gly | 1.1598 | 0.6098 | 0.7794 | 0.6660 | 1.7884 | 0.8028 | 1.2025 | 0.9914 |
| Glutamylglutamic acid | 0.7781 | 0.4367 | 0.5721 | 0.8863 | 1.8242 | 0.9252 | 1.5586 | 1.0189 |
| Glutamylmethionine | 1.7350 | 0.6287 | 0.6310 | 0.5263 | 1.1186 | 1.1699 | 1.1489 | 1.0415 |
| Glutamylserine | 0.6547 | 1.0376 | 0.9844 | 0.9254 | 1.1377 | 0.6602 | 1.6374 | 0.9628 |
| Glutamylthreonine | 1.3436 | 0.5051 | 0.8812 | 0.5131 | 1.3813 | 1.1486 | 1.2681 | 0.9589 |
| Glutaric acid | 0.6052 | 0.8817 | 1.0541 | 1.0110 | 1.3985 | 0.8301 | 1.2275 | 0.9919 |
| Glycerol | 0.6897 | 0.8152 | 0.6751 | 1.2539 | 1.4629 | 1.0907 | 1.0649 | 0.9475 |
| Glycerol tributanoate | 0.2746 | 1.2479 | 0.3726 | 3.4220 | 0.7962 | 0.2942 | 1.1595 | 0.4330 |
| Glycocholic acid | 2.0392 | 0.1866 | 0.0980 | 0.4123 | 1.7132 | 1.0521 | 2.2483 | 0.2502 |
| Glycyl-L-leucine | 0.8948 | 0.3998 | 0.6556 | 1.1590 | 1.5715 | 0.9511 | 1.5355 | 0.8327 |
| Glycylproline | 0.8429 | 0.6399 | 0.5029 | 1.0018 | 1.5374 | 1.0356 | 1.3989 | 1.0407 |
| Hexadecanedioic acid | 0.0797 | 4.7656 | 0.0750 | 1.2520 | 0.3938 | 0.2895 | 0.8232 | 0.3211 |
| Hexanamide | 0.2118 | 0.3943 | 0.7383 | 2.4716 | 0.4465 | 0.8748 | 2.1694 | 0.6934 |
| Hexanoylglycine | 0.4613 | 1.0262 | 0.5284 | 2.0531 | 0.8461 | 1.0582 | 1.2940 | 0.7326 |
| Hippuric acid | 0.7064 | 1.1746 | 0.6519 | 0.4883 | 0.9347 | 0.8778 | 0.6539 | 2.5124 |
| Histamine | 3.2267 | 0.6268 | 1.5382 | 0.6790 | 0.6103 | 0.4336 | 0.3798 | 0.5056 |
| Hypoxanthine | 0.7519 | 0.8632 | 1.1635 | 0.8548 | 0.7956 | 0.8120 | 1.6375 | 1.1215 |
| Indole | 0.6020 | 1.1043 | 0.6266 | 0.4138 | 0.9349 | 0.7938 | 0.9677 | 2.5569 |
| Indoleacrylic acid | 0.6172 | 0.8571 | 0.4702 | 1.0341 | 0.7415 | 0.9209 | 1.2734 | 2.0856 |
| Indolelactic acid | 0.4471 | 0.6082 | 0.7787 | 1.1479 | 1.0922 | 0.7820 | 1.3599 | 1.7841 |
| Indoxyl sulfate | 0.5155 | 1.5775 | 0.6468 | 0.1907 | 1.5635 | 1.0229 | 0.5590 | 1.9241 |
| Isobutyrylglycine | 0.6449 | 0.7868 | 0.1559 | 1.0242 | 1.1457 | 0.8865 | 1.2208 | 2.1352 |
| Itaconic acid | 1.2230 | 0.1084 | 0.0738 | 1.4806 | 1.1448 | 0.8497 | 2.2462 | 0.8734 |
| Kyotorphin | 0.9482 | 0.9645 | 1.2672 | 0.9266 | 0.5455 | 1.0244 | 0.8776 | 1.4460 |
| L-Acetylcarnitine | 1.6300 | 1.2952 | 0.8992 | 1.0639 | 0.6150 | 0.5628 | 0.6056 | 1.3283 |
| L-Arginine | 1.2891 | 1.1586 | 1.1668 | 0.6284 | 1.0556 | 0.8798 | 0.7512 | 1.0705 |
| L-Asparagine | 0.5580 | 0.8687 | 0.7042 | 0.8063 | 1.1945 | 1.0386 | 1.8421 | 0.9877 |
| L-Carnitine | 1.8440 | 0.9252 | 1.2997 | 0.7600 | 0.6661 | 0.8863 | 0.7206 | 0.8981 |
| Leucyl-Glutamate | 1.3259 | 0.6292 | 0.8758 | 0.6447 | 1.2639 | 0.8362 | 1.4057 | 1.0187 |
| Leucylproline | 0.1574 | 0.3707 | 0.5721 | 0.1565 | 4.1597 | 0.1576 | 1.4357 | 0.9903 |
| Levulinic acid | 0.7460 | 1.2383 | 1.4795 | 0.6584 | 0.4408 | 0.8009 | 0.7218 | 1.9143 |
| L-Glutamine | 1.1387 | 1.2355 | 0.7764 | 0.8244 | 0.9294 | 0.7221 | 0.9155 | 1.4580 |
| L-Histidine | 1.0404 | 1.1992 | 0.8955 | 0.8108 | 1.2441 | 0.6402 | 1.0923 | 1.0776 |
| L-Lysine | 1.0975 | 1.5226 | 0.8873 | 0.6433 | 1.0985 | 0.6737 | 0.8311 | 1.2460 |
| L-Methionine | 1.3912 | 1.1831 | 0.9194 | 0.5980 | 1.1703 | 0.8033 | 0.8698 | 1.0650 |
| Lopinavir | 1.1236 | 0.9882 | 0.8165 | 1.0828 | 0.7986 | 1.0838 | 1.1709 | 0.9355 |
| Loxoprofen | 1.0523 | 1.0665 | 1.0521 | 0.7446 | 0.8280 | 0.8730 | 1.3305 | 1.0529 |
| L-Phenylalanine | 0.6186 | 1.5752 | 0.4146 | 1.3319 | 0.8714 | 0.7400 | 1.2891 | 1.1592 |
| L-Prolinamide | 1.0861 | 1.5069 | 0.8927 | 0.6494 | 1.1219 | 0.6789 | 0.8056 | 1.2586 |
| L-Serine | 1.1084 | 1.1867 | 0.8243 | 0.8412 | 0.9495 | 0.7540 | 0.9414 | 1.3945 |
| L-Threonine | 1.4273 | 1.4909 | 1.0783 | 0.4509 | 0.9664 | 0.7237 | 0.6910 | 1.1714 |
| L-Tyrosine | 1.1581 | 1.1309 | 0.9345 | 0.6818 | 1.3327 | 0.6597 | 1.0711 | 1.0311 |
| Lunacalcipol | 1.0746 | 0.8682 | 0.9042 | 1.0404 | 0.8182 | 0.9515 | 1.2915 | 1.0514 |
| Lusitanicoside | 0.6783 | 2.8219 | 0.5361 | 0.4919 | 0.8951 | 0.6339 | 0.6009 | 1.3420 |
| L-Valine | 1.3189 | 1.1731 | 0.8635 | 0.7146 | 1.0121 | 0.7800 | 1.0209 | 1.1168 |
| LysoPC(0:0/18:1(9Z)) | 0.8527 | 0.9203 | 0.9729 | 1.1511 | 0.7936 | 1.0951 | 1.1048 | 1.1094 |
| LysoPC(16:1(9Z)/0:0) | 0.7615 | 0.9507 | 0.6928 | 1.3794 | 1.0095 | 1.1407 | 1.1486 | 0.9169 |
| LysoPC(18:2(9Z,12Z)/0:0) | 1.1347 | 1.0619 | 0.9386 | 0.9531 | 1.0259 | 1.0323 | 0.9702 | 0.8832 |
| LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) | 0.8854 | 1.3293 | 1.1390 | 0.7985 | 0.8069 | 1.2043 | 0.6993 | 1.1373 |
| LysoPC(22:5(7Z,10Z,13Z,16Z,19Z)/0:0) | 1.1062 | 0.9520 | 0.6680 | 1.2869 | 1.3254 | 1.2017 | 0.5157 | 0.9442 |
| LysoPC(P-16:0/0:0) | 0.9628 | 1.0529 | 0.8376 | 0.8839 | 1.2649 | 0.9011 | 1.2894 | 0.8074 |
| LysoPC(P-18:0/0:0) | 1.0321 | 1.0744 | 0.8206 | 0.8128 | 1.1762 | 0.9796 | 1.1762 | 0.9281 |
| LysoPE(18:1(9Z)/0:0) | 1.0488 | 1.1081 | 0.9096 | 0.8126 | 1.2186 | 0.9121 | 1.1427 | 0.8475 |
| LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0) | 0.9241 | 1.1431 | 1.1115 | 0.9550 | 1.1026 | 0.9405 | 0.7500 | 1.0733 |
| Menadiol | 0.7388 | 1.2636 | 1.3380 | 0.7219 | 0.4740 | 0.7461 | 0.8938 | 1.8238 |
| Menadione | 1.2189 | 0.9456 | 1.1500 | 1.0442 | 0.4488 | 1.1167 | 0.5217 | 1.5542 |
| Meprobamate | 1.1415 | 0.4563 | 0.8615 | 0.9325 | 1.0297 | 1.3430 | 1.2046 | 1.0310 |
| Methacholine | 1.9625 | 0.9403 | 0.6960 | 0.7763 | 0.9703 | 0.6256 | 0.8213 | 1.2076 |
| Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate | 0.1728 | 2.3664 | 0.2491 | 2.6728 | 0.8124 | 0.5320 | 0.7654 | 0.4293 |
| Methyl jasmonate | 0.8630 | 1.5396 | 0.5141 | 1.5379 | 0.8408 | 1.1773 | 0.8064 | 0.7208 |
| Mexiletine | 0.7164 | 1.0785 | 0.5544 | 1.4300 | 1.4870 | 1.1741 | 1.0983 | 0.4613 |
| Minaprine | 1.7540 | 1.1969 | 0.9605 | 0.8547 | 0.7026 | 1.0354 | 0.8363 | 0.6597 |
| Muscimol | 1.3211 | 0.9180 | 1.1941 | 0.6121 | 1.3044 | 0.5488 | 0.9451 | 1.1563 |
| N1-Acetylspermidine | 0.4410 | 0.3453 | 0.3909 | 1.5481 | 2.2990 | 0.7810 | 1.3471 | 0.8477 |
| N2-Acetylornithine | 1.3516 | 0.9615 | 0.7619 | 1.0971 | 1.0470 | 1.0167 | 0.9495 | 0.8146 |
| N-a-Acetyl-L-arginine | 1.2902 | 1.0101 | 1.0824 | 0.3657 | 1.3874 | 0.4159 | 1.5894 | 0.8587 |
| Nabilone | 0.6673 | 1.2791 | 0.3398 | 0.7383 | 0.9692 | 0.2606 | 0.7030 | 3.0427 |
| N-Acetylglutamine | 0.6687 | 0.8701 | 0.5380 | 0.7701 | 1.8461 | 0.7690 | 1.4023 | 1.1357 |
| N-Acetyl-L-alanine | 0.8630 | 0.6314 | 0.7169 | 0.8731 | 1.5220 | 0.9046 | 1.4442 | 1.0448 |
| N-Acetyl-L-phenylalanine | 0.6173 | 1.6467 | 0.3837 | 1.2970 | 0.8497 | 0.7256 | 1.3330 | 1.1472 |
| N-Acetyl-L-tyrosine | 0.5555 | 2.2952 | 0.4736 | 0.9383 | 0.8439 | 0.4826 | 1.1247 | 1.2863 |
| N-Acetylserine | 1.5352 | 1.1546 | 0.8117 | 0.6161 | 0.9709 | 0.6539 | 0.7802 | 1.4774 |
| N-Acetyltaurine | 0.5753 | 0.7981 | 0.6462 | 1.0675 | 1.0448 | 1.0871 | 1.2992 | 1.4819 |
| N-gamma-Glutamylglutamine | 1.2573 | 0.5699 | 0.5770 | 0.7765 | 1.4122 | 0.8729 | 1.1911 | 1.3432 |
| Nicotinic acid | 0.7829 | 0.6940 | 1.1065 | 1.2821 | 1.2433 | 0.8678 | 1.0564 | 0.9670 |
| N-Isovalerylglycine | 0.8072 | 0.8905 | 0.4533 | 0.8381 | 1.4733 | 0.7561 | 1.3455 | 1.4362 |
| N-Stearoyl tyrosine | 0.5393 | 1.4263 | 0.4068 | 1.3662 | 1.4040 | 1.1148 | 0.9671 | 0.7755 |
| Octadecanamide | 0.2675 | 1.6884 | 2.3078 | 0.2344 | 0.1277 | 0.2381 | 0.1544 | 2.9816 |
| Octanoylglucuronide | 1.1478 | 0.7669 | 1.0760 | 1.0360 | 0.7712 | 1.2257 | 0.8796 | 1.0968 |
| Olanzapine | 0.0029 | 0.0300 | 0.0461 | 0.0279 | 0.0184 | 7.8347 | 0.0114 | 0.0287 |
| Oleamide | 0.9101 | 1.3423 | 0.8895 | 0.8978 | 1.0715 | 1.0660 | 1.1104 | 0.7125 |
| Oleandolide | 0.9949 | 0.8630 | 1.5441 | 0.8243 | 1.6030 | 0.6034 | 0.8885 | 0.6788 |
| Oleic acid | 0.2977 | 2.0070 | 0.3071 | 1.4453 | 0.9601 | 0.8791 | 1.5988 | 0.5048 |
| Oleoylethanolamide | 0.1299 | 1.3819 | 2.5934 | 0.1383 | 0.0857 | 0.1366 | 0.0218 | 3.5124 |
| Ophthalmic acid | 0.8743 | 0.2078 | 0.3544 | 1.0570 | 1.4252 | 0.7719 | 2.6273 | 0.6821 |
| Oxidized glutathione | 0.9050 | 0.4176 | 0.3488 | 0.8330 | 1.4213 | 0.9450 | 2.2082 | 0.9212 |
| Oxoadipic acid | 0.8074 | 0.8508 | 1.4206 | 0.6538 | 0.4871 | 1.1351 | 1.3246 | 1.3206 |
| Oxoglutaric acid | 0.4839 | 0.9032 | 0.7126 | 0.9846 | 1.2931 | 0.7261 | 1.3799 | 1.5166 |
| Oxybuprocaine | 0.7050 | 1.5048 | 0.7296 | 0.5234 | 0.9318 | 1.1088 | 0.9289 | 1.5678 |
| Palmitic acid | 1.4877 | 0.3723 | 0.0826 | 1.3198 | 1.5164 | 1.3217 | 1.7725 | 0.1270 |
| Palmitic amide | 0.2599 | 1.6929 | 1.9155 | 0.1869 | 0.2033 | 0.2351 | 0.3198 | 3.1865 |
| Palmitoleic acid | 0.6370 | 1.1502 | 0.9188 | 1.2906 | 0.6642 | 1.5254 | 0.8869 | 0.9268 |
| Palmitoylethanolamide | 1.2826 | 0.3303 | 0.0535 | 1.2597 | 1.5949 | 1.2663 | 2.1232 | 0.0894 |
| Paraldehyde | 0.9189 | 1.0749 | 1.2070 | 0.8335 | 0.5788 | 0.9648 | 0.9409 | 1.4812 |
| Paucine | 0.5876 | 1.3807 | 1.8216 | 0.4675 | 0.3574 | 0.6750 | 0.4577 | 2.2524 |
| PE(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 1.0188 | 0.8661 | 0.9129 | 0.9913 | 0.8959 | 1.1420 | 1.3046 | 0.8684 |
| Pentamidine | 1.0837 | 0.6985 | 0.2438 | 1.1686 | 1.5701 | 1.1525 | 1.6469 | 0.4359 |
| Phenotype 1 | NA | NA | NA | NA | NA | NA | NA | NA |
| Phenotype 2 | NA | NA | NA | NA | NA | NA | NA | NA |
| Phenotype 3 | NA | NA | NA | NA | NA | NA | NA | NA |
| Phenylacetaldehyde | 0.6346 | 0.8604 | 0.8736 | 1.2498 | 0.8891 | 0.7303 | 1.2627 | 1.4995 |
| Phenylacetylglycine | 0.9786 | 1.4952 | 0.7314 | 0.9263 | 0.8383 | 0.7422 | 1.0131 | 1.2750 |
| Phenylhydrazine | 1.2772 | 0.3956 | 1.7549 | 0.4049 | 1.4004 | 0.4567 | 0.5677 | 1.7425 |
| Phosphoric acid | 0.8502 | 1.4744 | 0.4001 | 0.9643 | 1.0063 | 0.5329 | 1.4310 | 1.3408 |
| Picrocrocin | 0.7548 | 0.9329 | 0.7452 | 1.1455 | 1.1474 | 1.0702 | 1.2765 | 0.9274 |
| Pimilprost | 0.1795 | 1.6755 | 2.2535 | 0.4613 | 0.2454 | 0.1238 | 0.3110 | 2.7500 |
| Pipazethate | 0.4958 | 0.6156 | 1.3220 | 1.6880 | 1.7047 | 0.5152 | 1.0094 | 0.6492 |
| Pipecolic acid | 0.9756 | 0.8625 | 0.8788 | 0.9301 | 1.4652 | 0.8815 | 1.0577 | 0.9486 |
| Pivagabine | 0.5028 | 0.6533 | 0.3418 | 1.2965 | 1.4873 | 0.7679 | 1.5580 | 1.3922 |
| Platelet-activating factor | 1.0859 | 1.0241 | 0.9258 | 0.8554 | 1.0946 | 1.0605 | 0.9894 | 0.9643 |
| Plazomicin | 1.0865 | 0.8871 | 0.8134 | 1.1646 | 0.8856 | 0.9862 | 1.1986 | 0.9781 |
| Pregabalin | 1.8250 | 1.0248 | 0.7612 | 0.8897 | 0.8218 | 0.7700 | 0.8283 | 1.0792 |
| Probucol | 0.9325 | 1.1065 | 1.1520 | 0.9953 | 0.6220 | 0.8213 | 0.9634 | 1.4069 |
| Prohydrojasmon | 0.3383 | 1.8155 | 0.5384 | 1.7355 | 1.3536 | 0.7079 | 1.0720 | 0.4389 |
| Proline | 1.3798 | 1.2863 | 1.0578 | 0.6297 | 1.1626 | 0.6149 | 0.8234 | 1.0455 |
| Proline betaine | 0.7142 | 1.2840 | 1.0286 | 0.9121 | 0.9155 | 0.7461 | 1.0401 | 1.3593 |
| Promazine 5-sulfoxide | 0.0503 | 0.0393 | 0.0407 | 0.0476 | 7.6662 | 0.0449 | 0.0669 | 0.0442 |
| Promethazine sulfoxide | 0.0739 | 0.1093 | 0.1154 | 0.1008 | 7.2239 | 0.0738 | 0.1861 | 0.1167 |
| Propionylcarnitine | 0.1812 | 1.6188 | 0.3371 | 1.9397 | 1.3463 | 0.7491 | 1.3123 | 0.5155 |
| Propofol | 0.4331 | 0.8412 | 0.2859 | 2.1406 | 1.3873 | 1.0490 | 1.2443 | 0.6185 |
| Prostaglandin G2 2-glyceryl Ester | 1.3111 | 0.3111 | 0.0639 | 1.1397 | 1.8048 | 1.2349 | 2.0538 | 0.0806 |
| Protodioscin | 1.1362 | 0.7177 | 0.9288 | 1.0882 | 0.8738 | 1.3513 | 1.0429 | 0.8611 |
| PS(16:0/16:1(9Z)) | 0.1213 | 3.6292 | 0.1650 | 1.7803 | 0.5998 | 0.6975 | 0.7208 | 0.2862 |
| Purine | 0.8162 | 0.5471 | 0.8797 | 1.0028 | 1.2654 | 1.2342 | 1.3590 | 0.8956 |
| Putrescine | 1.1361 | 1.0519 | 0.6898 | 0.7868 | 1.3078 | 0.6689 | 1.1674 | 1.1914 |
| Pyrogallol | 0.8383 | 0.6433 | 1.4395 | 0.6671 | 1.3038 | 0.9287 | 1.3245 | 0.8548 |
| Pyrogallol-2-O-sulphate | 0.3533 | 0.7020 | 0.5311 | 0.1169 | 3.6609 | 1.2438 | 0.1397 | 1.2523 |
| Quercitrin | 0.8348 | 2.0630 | 0.8720 | 0.8719 | 0.7732 | 1.3263 | 0.5495 | 0.7094 |
| Quetiapine | 0.0430 | 0.1288 | 5.1325 | 2.2590 | 0.1380 | 0.0951 | 0.1022 | 0.1013 |
| (R)-3-hydroxybutyrylcarnitine | 1.0321 | 1.4975 | 0.6912 | 1.1964 | 0.5120 | 0.4298 | 0.8590 | 1.7821 |
| (R)-3-Hydroxydecanoic acid | 1.3416 | 2.4946 | 0.4848 | 0.9888 | 0.5005 | 0.8784 | 0.5543 | 0.7571 |
| (R)-3-Hydroxy myristic acid | 0.1483 | 4.0567 | 0.3043 | 0.7844 | 0.8152 | 0.7122 | 0.6723 | 0.5067 |
| Ribothymidine | 1.1717 | 0.5552 | 0.5558 | 0.7743 | 1.5156 | 0.8718 | 1.2543 | 1.3012 |
| Ribulose-5-phosphate | 1.2138 | 0.7527 | 1.3950 | 0.9393 | 0.9502 | 0.6298 | 1.3158 | 0.8034 |
| Risperidone | 1.0187 | 0.8825 | 1.0805 | 1.0572 | 0.6804 | 0.9883 | 1.0260 | 1.2664 |
| (S)-10,16-Dihydroxyhexadecanoic acid | 0.3356 | 1.8653 | 0.5880 | 1.1610 | 0.8505 | 1.1651 | 1.0878 | 0.9468 |
| S-2-Propenyl propanethioate | 1.2175 | 1.2734 | 0.8951 | 0.6783 | 0.9567 | 0.6872 | 0.8480 | 1.4438 |
| (S)-9-Hydroxy-10-undecenoic acid | 0.6869 | 2.6835 | 0.4342 | 1.2683 | 0.7647 | 0.6700 | 0.7590 | 0.7334 |
| Salbutamol | 0.7608 | 0.9014 | 0.6204 | 1.4140 | 1.5503 | 1.1975 | 1.1012 | 0.4545 |
| Salicylic acid | 1.6886 | 1.0788 | 0.6616 | 0.6710 | 0.8877 | 1.0028 | 0.5965 | 1.4130 |
| Salicyluric acid | 0.7827 | 0.6487 | 0.4416 | 0.5690 | 1.5256 | 0.8622 | 0.7740 | 2.3961 |
| S-Allylcysteine | 0.7722 | 0.6552 | 0.3095 | 1.0576 | 1.4484 | 1.1557 | 1.7656 | 0.8357 |
| Secobarbital | 1.2346 | 0.7652 | 0.6808 | 1.2075 | 0.9139 | 1.1086 | 1.3521 | 0.7372 |
| Secoisolariciresinol | 0.4775 | 1.4814 | 2.0215 | 0.4324 | 0.3634 | 0.4843 | 0.4113 | 2.3282 |
| Sorbitan laurate | 0.1187 | 4.6981 | 0.1601 | 0.2968 | 0.4443 | 0.1613 | 0.2830 | 1.8377 |
| Soyasaponin I | 0.6736 | 1.2381 | 1.6068 | 0.5684 | 0.5279 | 0.7836 | 0.6028 | 1.9987 |
| Spermidine | 1.8176 | 0.4720 | 1.5221 | 0.5073 | 1.5117 | 0.3778 | 0.6272 | 1.1643 |
| Sphinganine 1-phosphate | 1.0411 | 1.0503 | 0.5595 | 0.8272 | 1.1693 | 0.9767 | 1.0147 | 1.3613 |
| Sphingosine 1-phosphate | 1.1267 | 1.3465 | 0.5702 | 0.8519 | 0.9647 | 1.0277 | 0.8604 | 1.2518 |
| Stearoylcarnitine | 0.5526 | 1.2582 | 0.4947 | 1.6834 | 1.3353 | 0.7632 | 1.3279 | 0.5848 |
| Succinic acid | 0.4969 | 0.3745 | 0.0783 | 1.0192 | 1.3299 | 1.1440 | 2.3792 | 1.1780 |
| Succinic anhydride | 0.3456 | 0.2607 | 0.0742 | 0.8316 | 1.5643 | 0.9934 | 2.4659 | 1.4643 |
| Sucrose | 0.3807 | 0.2749 | 1.3890 | 0.6070 | 2.4344 | 0.8043 | 1.5037 | 0.6060 |
| Sulfoglycolithocholate(2-) | 0.6358 | 1.4275 | 0.7783 | 0.6859 | 0.6747 | 0.7205 | 0.6695 | 2.4077 |
| Suprofen | 0.8664 | 0.8327 | 0.6123 | 0.8605 | 1.0837 | 0.7767 | 0.8540 | 2.1137 |
| Taurine | 1.1629 | 1.9825 | 0.9126 | 0.6836 | 0.9380 | 0.5911 | 0.5732 | 1.1562 |
| Tentoxin | 1.2040 | 0.7946 | 0.6030 | 1.1716 | 0.9935 | 1.0956 | 1.3955 | 0.7422 |
| Tetraacetylethylenediamine | 0.7343 | 0.5417 | 0.5760 | 0.9381 | 1.7277 | 0.7244 | 1.3432 | 1.4146 |
| Tetradecanedioic acid | 0.2697 | 3.3801 | 0.2623 | 1.1790 | 0.6714 | 0.5284 | 1.1206 | 0.5885 |
| Tetrahydrocortisol | 0.3386 | 1.0310 | 0.3862 | 1.2612 | 1.6345 | 0.7475 | 1.1916 | 1.4093 |
| Theophylline | 0.5279 | 1.1689 | 0.5081 | 0.8411 | 1.2107 | 0.7398 | 1.2496 | 1.7540 |
| Thiomorpholine 3-carboxylate | 0.7410 | 0.8662 | 0.9240 | 1.1123 | 1.5100 | 1.1237 | 0.9825 | 0.7404 |
| Threonic acid | 0.5782 | 1.0608 | 0.7392 | 0.8163 | 1.5028 | 0.8879 | 1.5110 | 0.9038 |
| Thymidine | 0.9227 | 0.6861 | 0.7749 | 1.1928 | 0.8836 | 0.9207 | 1.6224 | 0.9968 |
| Thymine | 0.9252 | 0.7084 | 0.9190 | 1.0618 | 1.2643 | 0.7021 | 1.2375 | 1.1817 |
| Tiglylcarnitine | 0.7337 | 1.1876 | 0.6077 | 1.1317 | 1.3377 | 0.8674 | 1.1190 | 1.0151 |
| Toloxatone | 1.5922 | 0.6833 | 0.3129 | 0.5516 | 0.9187 | 0.6282 | 1.0024 | 2.3107 |
| Tranexamic Acid | 1.9258 | 0.3992 | 0.1968 | 1.2404 | 1.4464 | 0.7211 | 1.6257 | 0.4446 |
| trans-2-Dodecenoylcarnitine | 0.4020 | 1.6419 | 0.3291 | 2.1030 | 1.0210 | 1.0155 | 0.7455 | 0.7419 |
| trans-Hexadec-2-enoyl carnitine | 0.1271 | 1.7661 | 0.2225 | 1.8240 | 1.3214 | 0.9900 | 1.3179 | 0.4310 |
| trans-Piceid | 0.6389 | 1.3349 | 1.6469 | 0.5498 | 0.6486 | 0.7470 | 0.7879 | 1.6461 |
| Traumatic acid | 0.4686 | 2.1514 | 0.3423 | 1.6408 | 0.9297 | 0.6639 | 0.9316 | 0.8718 |
| Traumatin | 1.0950 | 1.2114 | 0.9540 | 0.8669 | 0.7306 | 0.9406 | 0.9943 | 1.2071 |
| Tridecanedioic acid | 0.8376 | 1.4945 | 0.9581 | 1.0039 | 0.7745 | 0.9089 | 1.0380 | 0.9845 |
| Trifluoroacetic acid | 1.0192 | 1.0239 | 1.0039 | 1.0337 | 0.9715 | 1.0089 | 0.9436 | 0.9953 |
| Trimethadione | 0.8481 | 0.5942 | 1.4241 | 0.6602 | 1.3283 | 0.9923 | 1.3170 | 0.8358 |
| Troleandomycin | 1.1949 | 0.8984 | 0.8533 | 1.3119 | 0.7565 | 0.8973 | 1.1847 | 0.9030 |
| Tylvalosin | 1.1393 | 0.8120 | 0.8215 | 1.1375 | 0.8568 | 1.0655 | 1.2772 | 0.8903 |
| Uracil | 0.7240 | 0.7749 | 0.5142 | 1.0644 | 1.1389 | 0.9500 | 1.2891 | 1.5445 |
| Uric acid | 0.6037 | 0.7622 | 0.3738 | 0.9358 | 1.2459 | 0.8770 | 1.5835 | 1.6181 |
| Valeroidine | 0.7663 | 0.4446 | 0.2889 | 1.0222 | 2.2150 | 0.6491 | 1.8779 | 0.7360 |
| Valine | 1.1721 | 1.2469 | 0.9790 | 0.7141 | 1.1042 | 0.7330 | 0.9820 | 1.0688 |
| Vanillin | 1.0227 | 1.0477 | 0.9756 | 0.9561 | 0.7483 | 0.9204 | 1.1347 | 1.1946 |
| Vigabatrin | 1.0855 | 1.5133 | 0.8936 | 0.6429 | 1.1222 | 0.6699 | 0.8194 | 1.2532 |
| Westiellamide | 1.0382 | 0.9680 | 1.0000 | 1.0165 | 0.7688 | 0.8399 | 1.1301 | 1.2386 |
| Xanthine | 1.2360 | 0.3399 | 0.6994 | 0.7774 | 1.0277 | 0.5154 | 1.7091 | 1.6950 |
| Zeranol | 1.1637 | 0.8822 | 0.8483 | 1.2012 | 0.8417 | 0.9689 | 1.1891 | 0.9049 |
Factors:
| F1 | Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death |
| F2 | Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death |
| F3 | Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death |
| F4 | Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning |
| F5 | Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning |
| F6 | Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning |
| F7 | Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning |
| F8 | Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death |