Data for (Study ST004138)
(Analysis AN006861)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 |
|---|---|---|---|
| (±)10(11)-EpDPA | 1.2900 | 0.8498 | 0.7526 |
| 10-Formylpteroic acid | 1.1159 | 1.0605 | 0.6444 |
| 10-Hydroxydecanoic acid | 1.2187 | 0.9215 | 0.7393 |
| 10-Nitrolinoleate | 1.1064 | 1.1398 | 0.4940 |
| (+/-)11(12)-EET | 1.0657 | 0.9230 | 1.0356 |
| 11-Dehydro thromboxane B2 | 0.9982 | 1.0084 | 0.9856 |
| 11-deoxy Corticosterone | 1.4223 | 0.8244 | 0.5480 |
| 11-Deoxy prostaglandin F2β | 1.0783 | 0.9618 | 0.9281 |
| 11(E)-Eicosenoic Acid | 2.2180 | 0.1985 | 0.3246 |
| (±)11-HETE | 0.9322 | 1.0263 | 1.0766 |
| 11-keto Testosterone (CRM) | 0.6542 | 1.3370 | 0.9587 |
| 11(Z),14(Z)-Eicosadienoic Acid | 1.9383 | 0.3582 | 0.5315 |
| (±)12(13)-DiHOME | 1.5515 | 0.7171 | 0.5237 |
| 12,13-EODE | 1.4487 | 0.6168 | 0.9384 |
| 1-(2,4-dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-one | 0.7451 | 1.3334 | 0.7884 |
| 12-Hydroxydodecanoic acid | 1.3318 | 0.6976 | 0.9951 |
| 12(S)-HETE | 1.1702 | 1.0342 | 0.5941 |
| 13,14-Dihydro-15-keto prostaglandin F2α | 0.6740 | 1.1617 | 1.2933 |
| 13,14-dihydro-15-keto-tetranor Prostaglandin D2 | 0.9786 | 1.0790 | 0.8736 |
| 13,14-dihydro-19(R)-hydroxy Prostaglandin E1 | 1.5105 | 0.6330 | 0.7832 |
| 13,14-dihydro Prostaglandin F1α | 1.5804 | 0.7153 | 0.4710 |
| 1,3,7-Trimethyluric acid | 0.6479 | 1.5074 | 0.6081 |
| 1,3-Dimethyluracil | 1.5713 | 0.7732 | 0.3654 |
| 1,3-Dimethyluric acid | 0.5368 | 0.4239 | 3.1335 |
| (+/-)13-HODE | 1.3641 | 0.6619 | 1.0078 |
| 13-Hpotre(R) | 1.1125 | 0.9943 | 0.7920 |
| 1-(3-phenylpropanoyl)-4-piperidinecarboxylic acid | 1.0901 | 1.0797 | 0.6540 |
| (+/-)14(15)-DiHET | 1.0365 | 1.1312 | 0.6492 |
| 14,15-Leukotriene E4 | 1.2246 | 0.8130 | 0.9590 |
| 1-(4-chlorophenyl)-3-hydroxy-1,2-dihydroquinoxalin-2-one | 0.5717 | 1.1322 | 1.5563 |
| 1,4-Cyclohexanedicarboxylic acid | 0.6514 | 0.6493 | 2.4293 |
| 1-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-(2-naphthyl)butane-1,4-dione | 1.3936 | 0.8412 | 0.5682 |
| 1,5,8-Trihydroxy-9-oxo-9H-xanthen-3-yl beta-D-glucopyranoside | 0.5694 | 1.4347 | 0.9164 |
| 1,5-Anhydro-D-glucitol | 0.9528 | 1.2929 | 0.4682 |
| 15-Deoxy-Δ12,14-prostaglandin D2 | 1.3963 | 0.7875 | 0.6774 |
| 15-OxoEDE | 1.6601 | 0.5710 | 0.6225 |
| 15(R),19(R)-Hydroxy prostaglandin F1α | 1.2001 | 0.8455 | 0.9376 |
| 15(R),19(R)-Hydroxy prostaglandin F2α | 0.9795 | 1.0174 | 1.0030 |
| 15(R)-Prostaglandin E2 | 0.8681 | 1.1072 | 1.0297 |
| 16-(Hexopyranosyloxy)-7-hydroxy-8,9-epoxypimaran-18-oic acid | 0.5811 | 0.3141 | 3.2809 |
| 16-Hydroxyhexadecanoic acid | 1.5865 | 0.4490 | 1.0264 |
| 16α-Hydroxyestrone | 0.7005 | 1.4177 | 0.6959 |
| 1,7-Dimethyluric acid | 1.2367 | 0.6557 | 1.2704 |
| 17(S)-HpDHA | 1.5940 | 0.7647 | 0.3392 |
| 17α-Hydroxypregnenolone | 0.7228 | 0.7089 | 2.1626 |
| 17α-Hydroxyprogesterone | 1.9626 | 0.4685 | 0.2489 |
| 18-β-Glycyrrhetinic acid | 0.7061 | 1.6950 | 0.0945 |
| 19(R)-Hydroxy prostaglandin A2 | 0.2524 | 2.0162 | 0.2977 |
| 19(R)-Hydroxy prostaglandin F1α | 0.9548 | 1.1208 | 0.8311 |
| 19(R)-Hydroxy prostaglandin F2α | 0.8560 | 1.1933 | 0.8700 |
| 1a,1b-Dihomo prostaglandin E1 | 1.1125 | 1.0596 | 0.6529 |
| 1a,1b-Dihomo prostaglandin F2α | 1.2588 | 0.5661 | 1.4181 |
| 1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione | 0.2496 | 2.0140 | 0.3079 |
| 1-Methyladenosine | 0.9757 | 1.0607 | 0.9182 |
| 1-Methylguanine | 0.4749 | 1.6752 | 0.5889 |
| 1-Methyluric acid | 0.8363 | 1.3678 | 0.5367 |
| 20-Hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoic acid | 1.2724 | 0.8828 | 0.7167 |
| 2-[2-(4-benzhydrylpiperazino)-2-oxoethoxy]acetic acid | 1.0051 | 0.9434 | 1.1106 |
| 2,2-Dimethylsuccinic acid | 0.8366 | 1.2223 | 0.8460 |
| 2-{2-oxo-2-[(2-oxo-3-azepanyl)amino]ethoxy}acetic acid | 1.0847 | 0.8678 | 1.1160 |
| 2-(3,4-dimethoxyphenyl)-N-(4-morpholinophenyl)acetamide | 0.7536 | 1.0987 | 1.2717 |
| 2,3-Dinor-8-epi-prostaglandin F2α | 1.0581 | 1.0552 | 0.7687 |
| 2,3-Dinor prostaglandin E1 | 1.4204 | 0.4388 | 1.3730 |
| 23-Norcholic acid | 1.2812 | 0.7495 | 0.9835 |
| 2-[(3S)-1-(Cyclohexylmethyl)-3-pyrrolidinyl]-5-fluoro-1H-benzimidazole | 0.8205 | 0.8183 | 1.7383 |
| 2,4,6-Trihydroxyacetophenone | 1.0269 | 1.1216 | 0.6883 |
| 2-[(4-chlorophenyl)sulfonyl]-N,N-dimethylacetamide | 1.6606 | 0.4292 | 0.9236 |
| 2,5-di[4-(trifluoromethyl)benzylidene]cyclopentan-1-one | 0.6527 | 1.5582 | 0.4901 |
| 2,5-Dihydroxybenzaldehyde | 0.8687 | 1.1525 | 0.9320 |
| 2,5-Dimethylphenol | 1.0305 | 1.2982 | 0.3051 |
| 2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)acetonitrile | 0.4338 | 1.7895 | 0.4260 |
| 2-[6-(1H-benzo[d]imidazol-2-yl)-2-pyridyl]-1H-benzo[d]imidazole | 0.5721 | 0.7753 | 2.3160 |
| 2,6-Dihydroxypurine | 1.0144 | 0.6706 | 1.6736 |
| 2-(acetylamino)-3-(1H-indol-3-yl)propanoic acid | 1.5974 | 0.7183 | 0.4312 |
| (2-anilino-4-methyl-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone | 1.4364 | 0.7113 | 0.7612 |
| 2-Arachidonyl Glycerol ether | 0.6736 | 1.1375 | 1.3457 |
| 2-Butoxyacetic acid | 0.8560 | 1.1183 | 1.0298 |
| 2^-Deoxycytidine 5^-diphosphate (dCDP) | 1.1059 | 0.4418 | 1.9819 |
| 2^-Deoxyinosine | 1.4880 | 0.7852 | 0.5028 |
| 2^-Deoxyinosine 5^-monophosphate | 0.8053 | 1.5500 | 0.2093 |
| 2-(Dimethylamino)Guanosine | 0.8102 | 1.1827 | 0.9823 |
| (2E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide | 1.1541 | 0.9279 | 0.8523 |
| 2-(Formylamino)Benzoic Acid | 1.0143 | 0.8738 | 1.2409 |
| 2-Furoic acid | 1.0078 | 0.7926 | 1.4266 |
| 2-Furoylglycine | 0.8576 | 0.7369 | 1.8392 |
| 2-Hydroxy-2-methylbutanedioic acid | 1.9651 | 0.4187 | 0.3502 |
| 2-Hydroxybutyric acid | 1.2769 | 0.8043 | 0.8753 |
| 2-Hydroxycaproic acid | 1.4552 | 0.7155 | 0.7156 |
| 2-Hydroxyestradiol | 1.2322 | 0.4325 | 1.7547 |
| 2-Hydroxymyristic acid | 1.1353 | 0.4530 | 1.9007 |
| 2-Hydroxyphenylacetic acid | 1.0922 | 0.9361 | 0.9559 |
| 2-Hydroxyvaleric acid | 1.5183 | 0.6675 | 0.6944 |
| 2-Isopropylmalic acid | 1.3927 | 0.8096 | 0.6375 |
| 2-Methoxyestrone | 0.8359 | 0.9136 | 1.5050 |
| 2-Methyl-3-hydroxybutyric acid | 1.2593 | 0.7802 | 0.9610 |
| 2^-O-Methyladenosine | 2.0216 | 0.3449 | 0.3970 |
| 2-Oxobutyric acid | 1.5862 | 0.8445 | 0.1844 |
| 2-Oxoglutaric acid | 0.7517 | 1.5790 | 0.2521 |
| 2-Phenylethylamine | 0.8447 | 1.0857 | 1.1214 |
| 2-Phenylpropionic acid | 0.9023 | 1.3242 | 0.5004 |
| (2R)-2,3-Dihydroxypropanoic acid | 0.8698 | 0.9733 | 1.3117 |
| (2S)-4-Oxo-2-phenyl-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside | 0.6136 | 1.3489 | 1.0126 |
| 3-[3-(beta-D-Glucopyranosyloxy)-2-hydroxyphenyl]propanoic acid | 0.6905 | 1.5783 | 0.3736 |
| 3,3-Dimethylglutaric acid | 0.8936 | 1.1765 | 0.8322 |
| 3-(3-Methoxyphenyl)propionic acid | 0.6942 | 1.1490 | 1.2809 |
| 3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid | 0.4761 | 1.6912 | 0.5525 |
| 3-(4-chlorophenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid | 0.9068 | 1.3322 | 0.4746 |
| 3,4-Dihydroxyphenylpropionic acid | 0.7102 | 1.6324 | 0.2197 |
| 3,4-dimethoxythiophene-2,5-dicarboxylic acid | 0.9731 | 0.8890 | 1.2891 |
| 3-(4-Hydroxyphenyl)propionic acid | 1.2221 | 1.0309 | 0.4996 |
| 3,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one | 0.6156 | 1.6320 | 0.4057 |
| 3-benzyl-1-butyl-4-hydroxy-1,2-dihydroquinolin-2-one | 0.6475 | 1.1707 | 1.3261 |
| 3-Coumaric acid | 0.9424 | 1.2217 | 0.6404 |
| 3^-Dephospho-CoA | 0.7073 | 1.3234 | 0.8838 |
| 3-Hydroxy-3-methylglutaric acid | 1.1644 | 0.8725 | 0.9499 |
| 3-Hydroxyanthranilic acid | 0.9005 | 1.0941 | 0.9942 |
| 3-Hydroxybutyric acid | 1.1462 | 0.9813 | 0.7537 |
| 3-Hydroxyvaleric acid | 0.8738 | 1.0569 | 1.1256 |
| 3-[(methoxycarbonyl)amino]-2,2,3-trimethylbutanoic acid | 1.5540 | 0.7380 | 0.4743 |
| 3-Methyl-2-oxobutanoic acid | 1.1192 | 0.9251 | 0.9263 |
| 3-methyl-4-[2-(2-methylphenyl)hydrazono]-4,5-dihydro-1H-pyrazol-5-one | 0.8693 | 1.3278 | 0.5575 |
| 3-methyl-5-oxo-5-(4-toluidino)pentanoic acid | 0.9740 | 1.2876 | 0.4381 |
| 3-Nitro-L-Tyrosine | 1.2871 | 0.8543 | 0.7486 |
| 3-Oxo-7alpha,12alpha-hydroxy-5beta-cholanoic acid | 1.2431 | 0.9247 | 0.6847 |
| 3-Phenyllactic acid | 1.2887 | 0.8373 | 0.7818 |
| (3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl beta-D-glucopyranoside | 0.7815 | 1.2188 | 0.9614 |
| 4-[2-(2-oxo-1-imidazolidinyl)ethyl]-1lambda~6~,4-thiazinane-1,1-dione | 1.0082 | 0.9052 | 1.1859 |
| 4-[(3,4-dimethoxyphenethyl)amino]-4-oxobutanoic acid | 0.7705 | 1.3331 | 0.7394 |
| 4-(4-cyclohexylphenyl)-4-oxobut-2-enoic acid | 0.9976 | 1.2856 | 0.3962 |
| 4-((5-(4-Nitrophenyl)oxazol-2-yl)amino)benzonitrile | 1.0544 | 1.1175 | 0.6432 |
| 4,5-Dicaffeoylquinic acid | 0.8935 | 1.3123 | 0.5430 |
| 4,5-diphenyl-2,3-dihydro-1H-pyrazolo[3,4-c]pyridazin-3-one | 0.6991 | 1.4291 | 0.6746 |
| 4-Acetamidobutanoic acid | 0.9365 | 1.0022 | 1.1195 |
| 4-Aminobutyric acid | 1.1448 | 0.7468 | 1.2561 |
| 4-(beta-D-Glucopyranosyloxy)-2-methylenebutanoic acid | 0.5777 | 1.5013 | 0.7583 |
| 4-chloro-1H-indazol-3-amine | 0.8335 | 1.2883 | 0.7117 |
| 4-hydroxy-1-phenyl-1,2-dihydroquinolin-2-one | 1.1571 | 0.6960 | 1.3404 |
| 4-Hydroxy-3-methylbenzoic acid | 1.0718 | 0.9983 | 0.8631 |
| 4-Hydroxybutyric acid (GHB) | 1.2332 | 0.8626 | 0.8363 |
| 4-Hydroxyisoleucine | 1.2299 | 0.9532 | 0.6500 |
| 4-Hydroxyphenylpyruvic acid | 0.9713 | 1.0988 | 0.8457 |
| 4-Methyl-2-Oxopentanoic Acid | 1.9975 | 0.1656 | 0.8261 |
| 4-Methylhippuric acid | 1.5757 | 0.4544 | 1.0361 |
| 4-Methylphenol | 1.1397 | 1.0003 | 0.7261 |
| 4-Nitrocatechol | 0.7896 | 1.2855 | 0.8035 |
| 4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid | 1.0141 | 1.1006 | 0.7580 |
| 4-Oxoproline | 1.5824 | 0.6529 | 0.6000 |
| 5-(1H-indol-3-yl)-3-methylpenta-2,4-dienoic acid | 0.7286 | 0.8341 | 1.8844 |
| (+/-)5(6)-DiHET | 1.9111 | 0.3793 | 0.5399 |
| 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one | 0.9394 | 1.1485 | 0.8021 |
| 5-Aminolevulinic acid | 0.8759 | 1.0542 | 1.1274 |
| 5-Aminovaleric acid | 1.0173 | 1.0319 | 0.8982 |
| 5-[(Benzoyloxy)methyl]-4,5,6-trihydroxy-2-cyclohexen-1-yl benzoate | 0.7600 | 1.4511 | 0.5086 |
| 5-Dehydroquinic acid | 0.8402 | 1.3536 | 0.5595 |
| 5-heptyl-4-hydroxy-6H-pyrido[3,2,1-jk]carbazol-6-one | 0.9214 | 1.0666 | 1.0120 |
| 5-Hydroxyindole-2-carboxylic acid | 0.6903 | 1.6947 | 0.1260 |
| 5-Hydroxyindole-3-acetic acid | 0.8775 | 1.2143 | 0.7830 |
| 5-Hydroxylysine | 1.0713 | 1.2603 | 0.3060 |
| 5-Hydroxymethyluracil | 1.4069 | 0.7299 | 0.7794 |
| 5-Hydroxytryptophan | 1.0815 | 0.9378 | 0.9731 |
| 5 methyl THF | 0.7439 | 1.5342 | 0.3630 |
| 5-(sec-butyl)-2-hydroxybenzaldehyde N-phenylhydrazone | 1.3400 | 0.4898 | 1.4217 |
| 5-Sulfosalicylic acid | 0.0495 | 2.3281 | 0.0302 |
| 5-(tert-butyl)-2-methyl-N-(5-methyl-3-isoxazolyl)-3-furamide | 1.2541 | 0.7261 | 1.0865 |
| 6,7-Dihydroxycoumarin | 0.7613 | 1.1066 | 1.2399 |
| 6,8-di(tert-butyl)-4-oxo-4H-chromene-2-carboxylic acid | 2.3143 | 0.1957 | 0.1420 |
| 7,8-Dihydrofolate | 1.2231 | 0.8679 | 0.8451 |
| 7-Hydroxy-3,4-dihydrocarbostyril | 1.2280 | 1.1130 | 0.3132 |
| 7-Methylxanthine | 1.1638 | 1.1291 | 0.4044 |
| 8,15-Dihete | 0.6652 | 1.3796 | 0.8464 |
| 8-iso-15-keto Prostaglandin E2 | 1.1045 | 1.0210 | 0.7509 |
| 8-iso-15-keto Prostaglandin F2α | 0.8182 | 0.7420 | 1.9053 |
| 8-iso Prostaglandin A1 | 1.4376 | 0.7853 | 0.6014 |
| 8-iso Prostaglandin A2 | 0.7277 | 1.1647 | 1.1819 |
| 8-iso Prostaglandin F2α Ethanolamide | 0.8659 | 0.5141 | 2.2975 |
| 8(S),15(S)-DiHETE | 0.6910 | 1.2585 | 1.0539 |
| 8(S)-Hydroxy-(5Z,9E,11Z,14Z)-eicosatetraenoic acid | 0.9208 | 0.8506 | 1.4733 |
| 8Z,11Z,14Z-Eicosatrienoic acid | 1.7112 | 0.6495 | 0.3553 |
| (±)9(10)-DiHOME | 1.1591 | 1.0004 | 0.6880 |
| (+/-)9,10-dihydroxy-12Z-octadecenoic acid | 1.1342 | 0.9867 | 0.7656 |
| (+/-)9(10)-EpOME | 1.8241 | 0.5331 | 0.3823 |
| (±)9(10)-EpOME | 0.8165 | 1.0221 | 1.3119 |
| (+/-)9-HpODE | 1.1415 | 0.9271 | 0.8785 |
| (±)9-HpODE | 1.4049 | 0.6493 | 0.9550 |
| 9-Methyluric acid | 1.0665 | 1.1360 | 0.5801 |
| (±)-Abscisic acid | 1.3280 | 0.5853 | 1.2417 |
| Acetylcarnitine | 1.0219 | 1.2147 | 0.4998 |
| Adenine | 1.5861 | 0.6029 | 0.6992 |
| Adenosine diphosphate ribose | 0.8411 | 1.2333 | 0.8137 |
| ADGGA 12:0_12:0_18:2 | 1.8253 | 0.6004 | 0.2366 |
| ADGGA 20:3_14:1_14:1 | 1.5932 | 0.5891 | 0.7148 |
| Adipic acid | 0.7435 | 1.1506 | 1.1809 |
| Adrenic acid | 2.1817 | 0.2834 | 0.2146 |
| AKB48 N-(4-hydroxypentyl) metabolite | 0.7587 | 0.6644 | 2.1871 |
| albiflorin | 1.3433 | 0.4763 | 1.4441 |
| Aldosterone | 0.9240 | 1.3506 | 0.4017 |
| all-cis-4,7,10,13,16-Docosapentaenoic acid | 1.7000 | 0.6762 | 0.3203 |
| alpha-Benzylsuccinic acid | 0.6461 | 1.5924 | 0.4303 |
| alpha-Ketoglutaric acid | 0.9371 | 1.1139 | 0.8803 |
| aminoimidazole carboxamide ribonucleotide | 1.3311 | 0.8713 | 0.6264 |
| Anthranilic acid | 1.0983 | 0.8852 | 1.0523 |
| Arachidic Acid | 1.7731 | 0.4361 | 0.6889 |
| Arachidonic acid | 1.5190 | 0.7285 | 0.5630 |
| Ascorbic acid | 1.0807 | 1.0069 | 0.8274 |
| Ascorbyl stearate | 0.9045 | 1.0923 | 0.9902 |
| Azelaic acid | 0.7656 | 1.3135 | 0.7907 |
| Benzoic acid | 1.1888 | 0.7420 | 1.1801 |
| beta-Estradiol 17-Acetate | 0.4380 | 1.1026 | 1.8810 |
| Biotin | 0.9680 | 0.6036 | 1.9072 |
| Butylparaben | 0.8659 | 1.4886 | 0.2215 |
| Caffeic acid | 0.9338 | 1.2144 | 0.6727 |
| Calcitriol | 1.4646 | 0.6892 | 0.7531 |
| Calcium D-Panthotenate | 1.7229 | 0.5251 | 0.5975 |
| Capryloylglycine | 0.9959 | 1.0058 | 0.9955 |
| Carnosine | 1.1964 | 0.8605 | 0.9130 |
| Catechol | 0.8556 | 1.2087 | 0.8380 |
| Cer 17:0;2O/17:0;(3OH) | 0.5371 | 1.6523 | 0.5159 |
| Cer 18:0;2O/17:0;(3OH) | 0.7270 | 1.4515 | 0.5722 |
| Cer 18:1;2O/15:0 | 0.3176 | 1.9149 | 0.3859 |
| Cer 18:1;2O/16:0;(2OH) | 0.5195 | 1.7270 | 0.3913 |
| Cer 18:1;2O/18:1 | 1.5340 | 0.6730 | 0.6520 |
| Cer 18:1;3O/16:0;(2OH) | 0.4908 | 0.3863 | 3.3038 |
| Cer 18:2;2O/2:0 | 1.2437 | 0.9591 | 0.6103 |
| Cer 19:0;2O/12:0;(3OH)(FA 20:6) | 0.3446 | 0.6586 | 3.0098 |
| Cer 22:2;2O/18:0;(3OH) | 1.8081 | 0.4765 | 0.5343 |
| Cer 8:1;2O/4:0 | 0.8937 | 1.2903 | 0.5895 |
| CerP 14:1;2O/10:0 | 1.5297 | 0.5481 | 0.9264 |
| cGMP | 0.2540 | 0.1209 | 4.3325 |
| Chenodeoxycholic Acid | 1.2745 | 0.7305 | 1.0371 |
| Chenodeoxycholic acid-3-beta-D-glucuronide | 1.1344 | 0.7810 | 1.2037 |
| Chlortetracycline | 0.5553 | 1.6750 | 0.4319 |
| Cholic acid | 1.1360 | 0.6986 | 1.3760 |
| Chrysin | 2.1164 | 0.3725 | 0.1525 |
| Cinnamyl alcohol | 1.3205 | 0.6924 | 1.0281 |
| cis-2-Decenoic acid | 1.1029 | 0.9849 | 0.8309 |
| cis-Aconitic acid | 0.8957 | 0.8081 | 1.6128 |
| Citicoline | 1.6441 | 0.7213 | 0.3335 |
| Citraconic acid | 1.3119 | 0.4763 | 1.5055 |
| Citramalic acid | 0.9356 | 1.0436 | 1.0332 |
| Citric acid | 1.2221 | 0.4931 | 1.6453 |
| Citrulline | 0.9993 | 0.8481 | 1.3249 |
| Corchorifatty acid F | 1.0180 | 1.1235 | 0.7017 |
| CUMYL-PICA N-pentanoic acid metabolite | 0.3624 | 1.0207 | 2.2035 |
| Cyclamic acid | 1.9667 | 0.1547 | 0.9096 |
| Cyclic ADP-ribose | 0.5863 | 1.5321 | 0.6758 |
| Cymarin | 1.0028 | 1.2024 | 0.5633 |
| Cynaropicrin | 0.6464 | 1.4672 | 0.6964 |
| Cytidine | 1.7102 | 0.6567 | 0.3419 |
| Cytidine-5^-monophosphate | 0.4110 | 0.4742 | 3.2726 |
| D-2-Aminoadipic acid | 0.9402 | 1.1141 | 0.8738 |
| D-Alanyl-D-alanine | 0.5548 | 1.5789 | 0.6377 |
| Decanoic acid | 0.8106 | 0.3659 | 2.7216 |
| Deoxycholic acid | 1.3133 | 0.4802 | 1.4944 |
| Deoxyguanosine | 2.0048 | 0.3993 | 0.3138 |
| Deoxyinosine | 1.5453 | 0.8107 | 0.3365 |
| Desoxycortone | 0.6867 | 1.4681 | 0.6158 |
| D-(-)-Fructose | 1.2926 | 1.0473 | 0.3268 |
| D-Fructose 6-phosphate | 1.1967 | 0.9801 | 0.6575 |
| DGDG 16:0_22:3 | 1.0291 | 1.2723 | 0.3630 |
| DGDG O-16:4_20:5 | 1.8526 | 0.5548 | 0.2804 |
| D-Gluconic acid | 1.4578 | 0.7155 | 0.7103 |
| D-Glucono-1,5-lactone | 0.7577 | 1.4140 | 0.5922 |
| D-glutamine | 1.9474 | 0.5220 | 0.1648 |
| Dibenzoyl Thiamine | 0.6447 | 1.4964 | 0.6377 |
| diethyl 2-[(2-morpholinoanilino)methylidene]malonate | 1.0645 | 0.7152 | 1.4805 |
| Dihydroroseoside | 0.9542 | 1.2016 | 0.6601 |
| Dimetghyl 4-Hydroxyisophthalate | 1.5865 | 0.5838 | 0.7393 |
| Diphenylamine | 1.2983 | 0.8126 | 0.8157 |
| Dl-3,4-Dihydroxymandelic Acid | 0.9328 | 1.3847 | 0.3119 |
| DL-3,4-Dihydroxyphenyl glycol | 0.3650 | 1.8104 | 0.5159 |
| Dl-3-Hydroxynorvaline | 0.8567 | 1.3551 | 0.5238 |
| DL-4-Hydroxyphenyllactic acid | 1.3538 | 0.9066 | 0.5068 |
| Dl-Indole-3-lactic acid | 0.9339 | 1.1869 | 0.7311 |
| DL-Malic acid | 1.1121 | 0.6280 | 1.5733 |
| DL-methionine sulfoxide | 0.8261 | 0.9309 | 1.4875 |
| DL-Norvaline | 1.5002 | 0.6173 | 0.8367 |
| DL-Tryptophan | 1.4201 | 0.6700 | 0.8811 |
| DL-β-Leucine | 1.3823 | 0.7160 | 0.8571 |
| D-(-)-Mannitol | 1.9047 | 0.0472 | 1.2598 |
| Docosahexaenoic acid | 1.5193 | 0.7581 | 0.4992 |
| Docosapentaenoic acid | 1.7920 | 0.5842 | 0.3362 |
| Docosatrienoic acid | 2.3050 | 0.1405 | 0.2778 |
| Dodecanedioic acid | 1.1241 | 1.0630 | 0.6231 |
| Dopamine | 1.0361 | 0.9104 | 1.1204 |
| D-Proline | 1.2297 | 0.8616 | 0.8455 |
| D-(-)-Quinic acid | 2.3961 | 0.1377 | 0.1057 |
| D-Raffinose | 0.9637 | 1.1499 | 0.7516 |
| D-Saccharic acid | 1.8289 | 0.4647 | 0.5187 |
| D-(-)-Salicin | 0.6106 | 1.5842 | 0.5173 |
| Elaidic acid | 2.0934 | 0.3095 | 0.3318 |
| ent-8-iso Prostaglandin F2α | 1.0115 | 1.0919 | 0.7818 |
| (-)-Epigallocatechin | 0.5712 | 1.7255 | 0.2933 |
| Epigallocatechin gallate | 1.5354 | 0.5933 | 0.8191 |
| Epinephrine bitartrate | 0.9475 | 1.0570 | 0.9813 |
| Eriocitrin | 1.6367 | 0.5989 | 0.6087 |
| Eriodictyol | 0.7039 | 1.5730 | 0.3586 |
| Estriol 17-sulfate | 1.5178 | 0.6680 | 0.6941 |
| Ethyl chrysanthemumate | 0.6199 | 0.8822 | 1.9946 |
| Ethylmalonate | 1.2344 | 0.8353 | 0.8922 |
| Ethylmalonic acid | 1.3829 | 0.7116 | 0.8654 |
| Ethyl-β-D-glucuronide | 0.9486 | 1.2518 | 0.5641 |
| FAHFA 15:0/24:4 | 0.6309 | 1.5624 | 0.5242 |
| FAHFA 18:0/18:0 | 0.8822 | 1.1003 | 1.0167 |
| FAHFA 18:0/24:4 | 1.4428 | 0.4860 | 1.2287 |
| FAHFA 18:0/3:0 | 2.4509 | 0.0865 | 0.1075 |
| FAHFA 18:1/24:4 | 0.5433 | 0.9628 | 1.9726 |
| FAHFA 18:2/18:0 | 0.9590 | 0.7541 | 1.6041 |
| FAHFA 18:2/20:4 | 1.5832 | 0.7388 | 0.4154 |
| FAHFA 18:2/24:4 | 0.4879 | 1.8281 | 0.2378 |
| FAHFA 20:1/18:0 | 0.5924 | 1.3535 | 1.0443 |
| FAHFA 2:0/16:0 | 1.5391 | 0.5786 | 0.8431 |
| FAHFA 2:0/18:0 | 0.9001 | 1.2664 | 0.6279 |
| FAHFA 2:0/24:4 | 1.1398 | 0.4836 | 1.8267 |
| FAHFA 3:0/18:0 | 1.0790 | 0.8152 | 1.2392 |
| FAHFA 3:0/24:1 | 0.8977 | 1.2399 | 0.6891 |
| FAHFA 3:0/26:0 | 0.1425 | 0.5304 | 3.6781 |
| FAHFA 4:0/16:0 | 1.5139 | 0.5033 | 1.0527 |
| FAHFA 4:0/18:0 | 1.2649 | 0.6479 | 1.2318 |
| FAHFA 4:0/22:0 | 0.4778 | 1.6256 | 0.6889 |
| FAHFA 5:0/18:0 | 1.2770 | 0.8752 | 0.7240 |
| FAHFA 5:0/24:0 | 1.9823 | 0.2341 | 0.7097 |
| FAHFA 5:0/24:4 | 1.4139 | 0.2414 | 1.8063 |
| Farnesyl pyrophosphate | 0.9160 | 1.1914 | 0.7567 |
| Feruloyl Putrescine | 0.7756 | 0.9632 | 1.5174 |
| Flavin mononucleotide (FMN) | 1.0217 | 1.0093 | 0.9378 |
| Fumaric acid | 0.6516 | 1.0263 | 1.6256 |
| Fumonisin B2 | 2.0623 | 0.4314 | 0.1330 |
| Gallic acid | 1.2199 | 0.9873 | 0.5968 |
| gamma-Glutamylleucine | 1.0390 | 0.8916 | 1.1547 |
| gamma-Glutamylmethionine | 1.4107 | 0.9917 | 0.2143 |
| Genipin | 0.2986 | 2.0798 | 0.0718 |
| Genistein | 0.8793 | 1.2378 | 0.7295 |
| Gentisic acid | 0.8827 | 1.1297 | 0.9532 |
| Geranylgeranyl pyrophosphate | 0.7898 | 1.4015 | 0.5558 |
| Gibberellin A4 | 0.6054 | 1.4509 | 0.8115 |
| Glucoiberin | 0.8013 | 1.0904 | 1.1964 |
| Gluconic acid | 1.1962 | 1.1209 | 0.3586 |
| Glucose 1-phosphate | 1.3116 | 0.9734 | 0.4469 |
| Glu-Gln | 0.9123 | 1.2525 | 0.6336 |
| Glu-Glu | 1.6832 | 0.5092 | 0.7088 |
| Glutaconic acid | 1.0061 | 0.8533 | 1.3007 |
| Glutaric acid | 1.5800 | 0.5972 | 0.7233 |
| Glycerol 3-phosphate | 1.2123 | 0.9509 | 0.6892 |
| Glycochenodeoxycholic acid | 0.5018 | 0.5832 | 2.8627 |
| Glycochenodeoxycholic Acid (sodium salt) | 0.9515 | 0.7765 | 1.5712 |
| Glycocholic acid | 0.6291 | 0.8658 | 2.0116 |
| Glycodeoxycholic acid | 0.4913 | 0.2717 | 3.5468 |
| Glycoursodeoxycholic acid | 0.7486 | 0.5006 | 2.5557 |
| Guanosine | 0.6344 | 0.5282 | 2.7205 |
| Guanosine-3^,5^-cyclic monophosphate | 0.2071 | 0.3255 | 3.9881 |
| Hematoxylin | 0.8952 | 1.0915 | 1.0102 |
| Hesperetin | 1.2111 | 0.8383 | 0.9314 |
| Hex2Cer 34:1;2O | 0.6935 | 1.5077 | 0.5181 |
| Hex3Cer 23:2;2O | 0.4286 | 0.3741 | 3.4513 |
| Hexadecanedioic acid | 0.8982 | 1.1857 | 0.8034 |
| Hexanoic acid | 0.8847 | 1.1983 | 0.8030 |
| HexCer 22:0;2O/16:2;O | 0.8559 | 1.3757 | 0.4814 |
| Hippuric acid | 0.6317 | 1.4813 | 0.6952 |
| Homovanillic acid | 1.3255 | 0.8661 | 0.6484 |
| Indole-2-carboxylic acid | 0.9486 | 1.2404 | 0.5884 |
| Indole-3-lactic acid | 1.5576 | 0.7831 | 0.3711 |
| Indole-3-pyruvic acid | 1.7468 | 0.3669 | 0.8878 |
| Inosine | 0.7688 | 0.5929 | 2.3196 |
| Inositol | 1.1230 | 1.0734 | 0.6028 |
| Isobutyryl carnitine | 0.9884 | 1.1745 | 0.6510 |
| Isorhapontigenin | 1.0776 | 1.1879 | 0.4479 |
| Jasmonic acid | 0.8746 | 1.1687 | 0.8861 |
| JWH 018 N-pentanoic acid metabolite | 0.9449 | 0.5299 | 2.1093 |
| JWH 250 N-pentanoic acid metabolite | 0.9609 | 0.7530 | 1.6029 |
| Kaempferitrin | 1.6596 | 0.5630 | 0.6404 |
| Lactobionic acid | 1.2337 | 0.9263 | 0.6997 |
| L-Aspartic acid | 0.8396 | 1.4266 | 0.4050 |
| Lauric acid | 1.0871 | 0.9293 | 0.9802 |
| Lauric acid ethyl ester | 0.9890 | 1.1096 | 0.7880 |
| L-beta-Imidazolelactic acid | 0.6766 | 1.3495 | 0.8881 |
| L-Cysteine-glutathione gisulfide | 0.9571 | 1.0045 | 1.0744 |
| L-Cysteinesulfinic acid | 1.7782 | 0.5455 | 0.4456 |
| L-Cystine | 1.6825 | 0.5115 | 0.7053 |
| L-Dihydroorotic Acid | 2.0774 | 0.3500 | 0.2768 |
| Leucine-enkephalin | 1.2958 | 0.9344 | 0.5610 |
| Leukotriene C4 | 1.2940 | 0.2499 | 2.0229 |
| Levodopa | 1.1136 | 0.9465 | 0.8917 |
| L-Hydroxyproline | 1.0075 | 0.9799 | 1.0280 |
| Lignoceric acid | 1.6860 | 0.4124 | 0.9097 |
| lipoamide | 0.7795 | 1.2684 | 0.8596 |
| Lipoic acid | 1.6718 | 0.5809 | 0.5786 |
| Liquiritigenin | 1.3274 | 0.9929 | 0.3744 |
| Lithocholic Acid | 1.0579 | 0.9522 | 0.9887 |
| LL-2,6-Diaminopimelate | 0.9635 | 0.9425 | 1.1938 |
| LNAPE 16:0/N-18:2 | 0.7651 | 1.3100 | 0.7991 |
| LNAPE 18:2/N-18:2 | 1.3229 | 0.9474 | 0.4805 |
| LNAPS 2:0/N-2:0 | 0.8233 | 1.4994 | 0.2818 |
| LNAPS 22:4/N-16:3 | 1.2467 | 0.8187 | 0.9035 |
| L-Ornithine | 1.3139 | 0.6851 | 1.0566 |
| LPA 14:1 | 1.9332 | 0.3278 | 0.6062 |
| LPA 18:0 | 1.0439 | 1.0282 | 0.8540 |
| LPA 22:0 | 0.8548 | 1.0221 | 1.2370 |
| L-Palmitoylcarnitine | 1.8479 | 0.4749 | 0.4598 |
| LPC 14:0 | 1.1761 | 0.7772 | 1.1300 |
| LPC 15:0 | 1.1752 | 0.6669 | 1.3669 |
| LPC 16:0 | 1.4707 | 0.5881 | 0.9568 |
| LPC 16:1 | 1.1632 | 0.8152 | 1.0745 |
| LPC 18:0 | 1.6015 | 0.4834 | 0.9237 |
| LPC 18:1 | 1.2138 | 0.6688 | 1.2872 |
| LPC 18:2 | 0.7637 | 0.9384 | 1.5935 |
| LPC 20:1 | 1.0586 | 0.4967 | 1.9576 |
| LPC 20:3 | 1.2759 | 0.4311 | 1.6723 |
| LPC 20:4 | 0.9465 | 0.4132 | 2.3548 |
| LPC 22:5 | 1.7471 | 0.4191 | 0.7760 |
| LPC O-16:0 | 1.2806 | 0.2622 | 2.0229 |
| LPC O-16:1 | 0.5223 | 0.5295 | 2.9371 |
| LPC O-18:0 | 1.7169 | 0.3041 | 1.0799 |
| LPC O-18:1 | 1.2635 | 0.4252 | 1.7091 |
| LPE 13:0 | 0.9329 | 1.1696 | 0.7698 |
| LPE 14:0 | 1.2592 | 0.7701 | 0.9827 |
| LPE 15:0 | 1.9775 | 0.1991 | 0.7936 |
| LPE 15:1 | 1.0410 | 1.0435 | 0.8272 |
| LPE 16:0 | 0.9629 | 0.7078 | 1.6952 |
| LPE 16:1 | 1.0701 | 0.9607 | 0.9464 |
| LPE 17:1 | 1.4018 | 0.1722 | 1.9774 |
| LPE 18:0 | 2.0035 | 0.1067 | 0.9398 |
| LPE 18:1 | 1.6596 | 0.3108 | 1.1777 |
| LPE 18:2 | 0.7892 | 0.4950 | 2.4883 |
| LPE 19:1 | 2.1539 | 0.2316 | 0.3792 |
| LPE 20:3 | 0.7395 | 0.5023 | 2.5700 |
| LPE 20:4 | 0.4162 | 0.3621 | 3.5012 |
| LPE 20:5 | 0.9069 | 0.5558 | 2.1284 |
| LPE 22:4 | 0.5505 | 0.3829 | 3.1941 |
| LPE 22:5 | 0.6056 | 0.5101 | 2.8154 |
| LPE O-15:1 | 1.9825 | 0.3843 | 0.3895 |
| LPE O-16:2 | 1.6005 | 0.8007 | 0.2497 |
| LPE O-17:2 | 1.6864 | 0.5523 | 0.6109 |
| LPE O-18:0 | 2.1624 | 0.2030 | 0.4237 |
| LPE O-18:1 | 2.2771 | 0.0955 | 0.4283 |
| LPE O-18:2 | 1.7954 | 0.5104 | 0.4869 |
| LPE O-18:3 | 1.9739 | 0.4261 | 0.3171 |
| LPG 15:0 | 1.0454 | 1.0263 | 0.8550 |
| LPG 16:0 | 1.2838 | 0.8437 | 0.7778 |
| LPG 16:1 | 1.7244 | 0.4655 | 0.7213 |
| LPG 17:1 | 0.6838 | 1.1358 | 1.3292 |
| LPG 18:2 | 1.4566 | 0.4828 | 1.2084 |
| LPG 18:3 | 0.3421 | 1.7974 | 0.5883 |
| LPG 19:1 | 1.0011 | 1.0010 | 0.9958 |
| LPG 4:0 | 1.4983 | 0.8419 | 0.3617 |
| LPG O-14:1 | 1.1798 | 1.0977 | 0.4401 |
| LPG O-15:1 | 1.8316 | 0.4831 | 0.4742 |
| LPG O-16:1 | 1.3608 | 0.7645 | 0.7957 |
| LPI 14:0 | 1.1406 | 1.1230 | 0.4628 |
| LPI 15:0 | 1.1302 | 1.0734 | 0.5890 |
| LPI 16:0 | 1.5405 | 0.6108 | 0.7716 |
| LPS 18:0 | 1.9675 | 0.1342 | 0.9515 |
| LPS 2:0 | 1.1471 | 1.1449 | 0.4035 |
| L-Serine | 0.8739 | 0.9702 | 1.3102 |
| L-(+)-Tartaric acid | 1.0414 | 0.8524 | 1.2335 |
| L-Threonic acid | 0.8034 | 1.3045 | 0.7359 |
| L-Tyrosine methyl ester | 0.7024 | 1.3953 | 0.7402 |
| Luteolin | 0.6850 | 1.4640 | 0.6279 |
| Lysopc 14:0 | 0.9864 | 1.1862 | 0.6299 |
| Lysopc 16:2 (2N Isomer) | 0.6014 | 1.5668 | 0.5724 |
| LysoPE 18:0 | 1.4895 | 0.6011 | 0.8923 |
| LysoPE 18:2 | 1.4163 | 0.5511 | 1.1417 |
| Lysops 22:6 | 1.1354 | 0.5901 | 1.6084 |
| Malonic acid | 0.8310 | 1.5512 | 0.1564 |
| MAM2201 N-pentanoic acid metabolite | 0.6422 | 0.8834 | 1.9485 |
| Medroxyprogesterone | 0.3356 | 1.9280 | 0.3228 |
| methadone-d9 | 0.8143 | 0.3131 | 2.8267 |
| methyl 2-[(2-acetyl-3-oxo-1-butenyl)amino]acetate | 0.8354 | 1.2717 | 0.7431 |
| Methyl-2-hydroxyisobutyric acid | 1.6985 | 0.4433 | 0.8194 |
| methyl 2-mercapto-1-methyl-1H-imidazole-5-carboxylate | 0.4626 | 1.7429 | 0.4687 |
| Methyl acetoacetate | 1.9168 | 0.3474 | 0.5966 |
| Methylgallate | 0.9192 | 1.2749 | 0.5725 |
| Methylsuccinic acid | 0.9305 | 1.2128 | 0.6827 |
| Mevalonic acid | 0.9578 | 1.2753 | 0.4960 |
| MGDG 2:0_16:0 | 1.3207 | 1.0696 | 0.2243 |
| MGDG 2:0_18:0 | 2.3778 | 0.1408 | 0.1349 |
| MGDG O-13:1_4:0 | 0.7684 | 0.5405 | 2.4320 |
| MGDG O-17:1_2:0 | 0.7861 | 1.2177 | 0.9546 |
| MGDG O-24:4_3:0 | 2.1635 | 0.3062 | 0.2015 |
| MGDG O-24:5_2:0 | 1.4994 | 0.7649 | 0.5238 |
| MGDG O-24:5_3:0 | 0.7681 | 1.2939 | 0.8277 |
| Milbemectin A3 | 1.3990 | 0.7460 | 0.7603 |
| Miquelianin | 1.5005 | 0.7764 | 0.4972 |
| Monensin | 1.3545 | 0.6566 | 1.0381 |
| Monobenzyl phthalate | 0.7290 | 1.6130 | 0.2242 |
| Monobutyl phthalate | 0.8626 | 1.2437 | 0.7498 |
| Monomethyl phthalate | 1.1236 | 1.0056 | 0.7462 |
| Morphine-3-glucuronide | 0.4998 | 0.5228 | 2.9954 |
| Mycophenolic acid | 0.7179 | 0.5389 | 2.5344 |
| Myricetin | 0.9453 | 1.3166 | 0.4326 |
| myricetin 3-O-beta-D-galactopyranoside | 0.9334 | 1.0549 | 1.0134 |
| Myricitrin | 0.2415 | 2.0360 | 0.2770 |
| Myristic Acid | 0.8201 | 0.1303 | 3.2047 |
| N1-[1-(3-isopropenylphenyl)-1-methylethyl]-3-oxobutanamide | 0.7747 | 1.0087 | 1.4222 |
| N1-(2-methyl-4-nitrophenyl)acetamide | 1.3694 | 0.7669 | 0.7739 |
| N1-[3-(acetylamino)-2-oxo-2H-chromen-6-yl]-4-nitrobenzamide | 1.2397 | 0.8099 | 0.9359 |
| N1-(3-amino-4-chlorophenyl)-2-[2,4-di(tert-pentyl)phenoxy]acetamide | 1.0992 | 0.7305 | 1.3801 |
| N1-(3-cyano-4,6-diphenyl-2-pyridyl)-4-methylbenzamide | 0.3853 | 1.5068 | 1.1231 |
| N1-(4-bromo-3-chlorophenyl)piperidine-1-carbothioamide | 1.9946 | 0.3678 | 0.4009 |
| N1-(4-chlorophenyl)-2-cyano-4,4-dimethyl-3-oxopentanamide | 1.1362 | 0.9937 | 0.7469 |
| N1-(4-cyclohexylphenyl)-2-[(4-methylphenyl)thio]acetamide | 1.3148 | 0.8091 | 0.7909 |
| N1-(4-morpholinophenyl)-2-methylbut-2-enamide | 1.6925 | 0.4969 | 0.7169 |
| N1-methyl-2-{2-[(2-phenoxyethyl)thio]acetyl}hydrazine-1-carbothioamide | 1.1377 | 0.8739 | 0.9993 |
| N1-phenyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide | 1.4452 | 0.8284 | 0.4947 |
| N^2-(2-furylcarbonyl)-3-chloro-4-methylthiophene-2-carbohydrazide | 2.3115 | 0.1778 | 0.1858 |
| N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzamide | 1.9311 | 0.4348 | 0.3823 |
| N-[2-(6-amino-9H-purin-9-yl)ethyl]-N-(2-furylmethyl)amine | 1.0161 | 1.1250 | 0.7022 |
| N-(2,6-Dimethylphenyl)-N-(methoxyacetyl) alanine | 0.5171 | 1.6094 | 0.6466 |
| N-(2-oxo-3-azepanyl)-5-(2-pyridinyl)-2-thiophenesulfonamide | 2.1374 | 0.2812 | 0.3061 |
| N-[4-(2,6-dimethylmorpholino)phenyl]-N^-(2-thienylmethyl)thiourea | 1.6770 | 0.5708 | 0.5899 |
| N^-(4-chlorobenzoyl)-3-[4-(trifluoromethoxy)phenyl]acrylohydrazide | 1.6161 | 0.5578 | 0.7367 |
| N-{6-[(7-chloro-4-quinazolinyl)oxy]-3-pyridinyl}-4-methoxybenzamide | 0.6821 | 0.7343 | 2.1881 |
| N6-Succinyl Adenosine | 1.2025 | 0.4498 | 1.7759 |
| N-Acetyl-1-aspartylglutamic acid | 1.2202 | 0.3020 | 2.0562 |
| N-Acetyl-5-aminosalicylic acid | 0.9760 | 1.2344 | 0.5475 |
| N-Acetylalanine | 0.8332 | 1.1996 | 0.9011 |
| N-Acetylaspartic acid | 1.0951 | 1.1566 | 0.4803 |
| N-Acetyl-D-alloisoleucine | 1.2512 | 0.8823 | 0.7592 |
| N-Acetyl-D-galactosamine 4-sulfate | 1.4008 | 0.7110 | 0.8315 |
| N-Acetyl-DL-glutamic acid | 1.2396 | 0.9040 | 0.7358 |
| N-Acetyl-DL-norvaline | 1.0626 | 1.0091 | 0.8580 |
| N-Acetyl-DL-tryptophan | 1.2070 | 0.9270 | 0.7505 |
| N-Acetylglucosamine 1-phosphate | 0.6942 | 1.4581 | 0.6222 |
| N-Acetylglycine | 0.9032 | 1.0547 | 1.0729 |
| N-Acetylhistidine | 0.7882 | 1.2171 | 0.9519 |
| N-Acetyl-L-histidine | 1.7408 | 0.5729 | 0.4606 |
| N-Acetyl-L-methionine | 1.5713 | 0.8141 | 0.2784 |
| N-Acetyl-L-phenylalanine | 1.4097 | 0.8779 | 0.4584 |
| N-Acetyl-L-tyrosine | 0.8837 | 1.3105 | 0.5662 |
| N-Acetylmannosamine | 0.8253 | 1.1688 | 0.9822 |
| N-Acetylneuraminic acid | 1.4272 | 0.8284 | 0.5298 |
| N-Acetylsphingosine | 1.0036 | 1.2026 | 0.5613 |
| N-Acetylvaline | 0.6876 | 1.3459 | 0.8744 |
| NAGly 16:0/24:4 | 0.5258 | 0.9241 | 2.0895 |
| NAGly 18:1/24:4 | 0.2587 | 0.8382 | 2.7951 |
| NAGlySer 15:0/15:0 | 0.2771 | 0.5246 | 3.4273 |
| NAGlySer 16:0/22:1 | 1.2457 | 1.0535 | 0.4053 |
| NAGlySer 17:1/22:1 | 1.8986 | 0.5168 | 0.2714 |
| NAGlySer 19:2/22:1 | 1.2852 | 0.8795 | 0.6989 |
| NAGlySer 24:3/19:1 | 1.1255 | 0.6896 | 1.4156 |
| Naringenin | 0.7428 | 1.4363 | 0.5737 |
| Naringin | 1.4744 | 0.7927 | 0.5135 |
| Neohesperidin | 1.3373 | 0.9645 | 0.4158 |
| Nervonic acid | 0.8147 | 1.2406 | 0.8500 |
| N^-hydroxy-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidamide | 1.0788 | 1.1323 | 0.5639 |
| Nicotinamide N-oxide | 1.5312 | 0.6236 | 0.7625 |
| N-Isovalerylglycine | 1.1290 | 0.8846 | 0.9935 |
| N-lactoyl-phenylalanine | 1.2157 | 0.8772 | 0.8396 |
| N-Oleoyl dopamine | 1.1753 | 0.2041 | 2.3525 |
| N-Oleoyl Glycine | 2.2810 | 0.1508 | 0.3030 |
| nor-6β-Oxycodol | 0.9886 | 1.0041 | 1.0135 |
| N-Phenylacetylglutamine | 0.6508 | 1.1518 | 1.3597 |
| Octanedioic acid | 0.8225 | 1.1234 | 1.0844 |
| Ofloxacin impurity E | 0.7692 | 1.0863 | 1.2679 |
| Oleoyl-L-alpha-lysophosphatidic acid | 1.1325 | 0.8290 | 1.1050 |
| Oleoyl-L-α-lysophosphatidic acid | 2.4334 | 0.1236 | 0.0626 |
| Ornithine | 2.2529 | 0.2079 | 0.2361 |
| Orotic acid | 0.7575 | 0.6050 | 2.3160 |
| O-Succinylhomoserine | 1.3559 | 0.8556 | 0.6113 |
| Ouabain | 1.4307 | 0.8307 | 0.5180 |
| Oxaloacetate | 0.8214 | 1.5349 | 0.2099 |
| Oxaloacetic acid | 0.8681 | 0.9561 | 1.3516 |
| Oxazepam | 0.6614 | 1.3527 | 0.9110 |
| Oxoadipic Acid | 0.7974 | 1.5743 | 0.1729 |
| Palmitic acid | 1.9529 | 0.3409 | 0.5398 |
| Pantothenic acid | 1.2488 | 0.9215 | 0.6805 |
| PB-22 N-pentanoic acid-3-carboxyindole metabolite | 1.7679 | 0.6248 | 0.2969 |
| PC O-18:5_2:0 | 0.6076 | 1.5577 | 0.5798 |
| PE 14:0_16:0 | 0.2490 | 2.0093 | 0.3192 |
| PE 15:0_16:0 | 1.2109 | 1.0249 | 0.5344 |
| PE 15:0_17:1 | 1.2244 | 0.9198 | 0.7319 |
| PE 16:0_18:1 | 0.6430 | 0.8301 | 2.0605 |
| PE 16:0_19:1 | 0.9425 | 1.2815 | 0.5128 |
| PE 17:0_17:1 | 0.6382 | 0.8727 | 1.9792 |
| PE 17:1_18:1 | 1.1550 | 0.7698 | 1.1872 |
| PE 18:1_18:2 | 0.6860 | 1.5361 | 0.4723 |
| PE-Cer 12:0;2O/23:0;O | 0.4681 | 1.7917 | 0.3541 |
| Pentadecanoic acid | 1.5854 | 0.6052 | 0.6958 |
| PE O-18:1_18:1 | 0.8770 | 0.7096 | 1.8594 |
| PG 18:2_18:2 | 1.2170 | 0.8823 | 0.8263 |
| Phenylacetaldehyde | 1.2064 | 0.9621 | 0.6769 |
| Phenylglyoxylic acid | 1.2055 | 0.8333 | 0.9531 |
| Phenylpyruvic acid | 1.1343 | 0.8774 | 0.9983 |
| Phe-Phe | 0.7054 | 1.3910 | 0.7433 |
| Phloretin | 0.2801 | 2.0943 | 0.0771 |
| Piceatannol | 1.4390 | 0.7683 | 0.6347 |
| Piceid | 0.9354 | 1.2569 | 0.5792 |
| PI-Cer 12:0;2O/23:0;O | 0.9534 | 0.8764 | 1.3545 |
| Picrotin | 0.8076 | 1.4659 | 0.3840 |
| Picrotoxinin | 1.7447 | 0.6548 | 0.2783 |
| Pimelic acid | 0.7505 | 1.1816 | 1.1012 |
| Porphobilinogen | 1.0909 | 0.8197 | 1.2063 |
| Prostaglandin A1 ethyl ester | 1.2691 | 0.9066 | 0.6725 |
| Prostaglandin A3 | 1.4885 | 0.7914 | 0.4886 |
| Prostaglandin E1 Ethanolamide | 0.4407 | 1.3195 | 1.4137 |
| Prostaglandin E2 | 0.6245 | 1.4069 | 0.8677 |
| Prostaglandin F3α | 1.1596 | 0.7746 | 1.1680 |
| Prostaglandin H2 | 0.5807 | 1.7152 | 0.2967 |
| Prostaglandin K1 | 1.0448 | 0.8044 | 1.3291 |
| Protocatechuic acid | 1.0029 | 1.1586 | 0.6564 |
| Protoporphyrin IX | 2.0833 | 0.2696 | 0.4366 |
| Pseudouridine | 1.0474 | 0.8451 | 1.2373 |
| PS O-24:2_16:4 | 0.9386 | 0.7141 | 1.7292 |
| Purine | 0.8119 | 0.3766 | 2.6963 |
| Pyrogallol | 1.0246 | 1.1054 | 0.7273 |
| Quercetin | 1.0778 | 1.2987 | 0.2113 |
| Quinoline-4-carboxylic acid | 1.7086 | 0.3958 | 0.9007 |
| (R)-3-Hydroxy myristic acid | 1.3801 | 0.3590 | 1.6220 |
| Resveratrol | 1.7988 | 0.5790 | 0.3340 |
| Riboflavin-5-phosphate | 1.4463 | 0.6392 | 0.8957 |
| Rifampicin | 1.8137 | 0.3475 | 0.7982 |
| Roquefortine C | 1.2288 | 0.5190 | 1.5770 |
| Rutin | 1.7024 | 0.6297 | 0.4146 |
| Saccharin | 1.4657 | 0.6589 | 0.8156 |
| S-Adenosylhomocysteine | 0.6740 | 1.2210 | 1.1671 |
| S-Adenosyl-L-methionine | 1.3176 | 0.7973 | 0.8104 |
| Salicylic acid | 0.9322 | 1.1071 | 0.9046 |
| Sebacic acid | 1.1024 | 0.9509 | 0.9044 |
| Sildenafil-d3 | 0.4597 | 0.4067 | 3.3209 |
| SL 21:0;O/20:3 | 1.0739 | 1.1379 | 0.5616 |
| (S)-Leucic acid | 1.2712 | 0.8235 | 0.8455 |
| SM 8:0;2O/10:0 | 0.9355 | 1.0565 | 1.0059 |
| SM 8:1;2O/34:0 | 1.6189 | 0.6459 | 0.5435 |
| SMGDG O-20:1_2:0 | 1.1808 | 0.6987 | 1.2881 |
| Sorbitan monopalmitate | 0.7523 | 1.6018 | 0.2025 |
| Soyasaponin I | 1.4238 | 0.6532 | 0.9098 |
| ST 24:1;O2;G | 1.4224 | 0.4620 | 1.3198 |
| ST 24:1;O4/18:0 | 0.9959 | 1.1966 | 0.5891 |
| ST 24:1;O4/18:1 | 0.8592 | 0.7523 | 1.8033 |
| ST 24:1;O4/20:2 | 0.2645 | 0.4137 | 3.6882 |
| ST 24:1;O4/20:3 | 0.7602 | 1.0647 | 1.3315 |
| ST 24:1;O4;T | 1.1158 | 0.7660 | 1.2721 |
| ST 24:1;O5;G;S | 0.9686 | 1.1123 | 0.8223 |
| ST 24:2;O4 | 0.9942 | 1.1075 | 0.7823 |
| ST 27:1;O;S | 1.1736 | 0.5946 | 1.5239 |
| ST 28:1;O;S | 1.4560 | 0.5276 | 1.1143 |
| ST 28:2;O;S | 1.0224 | 1.3060 | 0.3042 |
| ST 29:1;O;Hex;FA 18:1 | 1.8097 | 0.4627 | 0.5606 |
| ST 29:1;O;S | 0.9825 | 1.0589 | 0.9086 |
| Stearic acid | 0.7012 | 0.9495 | 1.6922 |
| Stercobilin | 0.6834 | 1.3052 | 0.9691 |
| Suberic acid | 0.6960 | 1.3154 | 0.9229 |
| Succinic acid | 1.1587 | 0.7997 | 1.1161 |
| Succinic semialdehyde | 1.0337 | 0.8342 | 1.2873 |
| Sucrose | 0.4995 | 1.5374 | 0.8343 |
| Sulfamethoxazole hydroxylamine | 0.7699 | 1.4232 | 0.5487 |
| Syringic acid | 0.8262 | 1.5477 | 0.1733 |
| Tanespimycin | 1.4916 | 0.8415 | 0.3760 |
| Taurine | 1.3136 | 1.1356 | 0.0976 |
| Taurochenodeoxycholic acid | 1.6364 | 0.2517 | 1.3490 |
| Taurolithocholic acid | 0.8555 | 0.3700 | 2.6247 |
| Terephthalic acid | 1.0133 | 1.0024 | 0.9689 |
| Testosterone sulfate | 1.0995 | 0.8616 | 1.1002 |
| Tetradecanedioic acid | 0.9349 | 1.2895 | 0.5107 |
| Tetrahydroaldosterone | 1.2918 | 0.7749 | 0.9086 |
| tetranor-12(R)-HETE | 0.9358 | 1.0552 | 1.0082 |
| Tetranor-12R-HETE | 0.6554 | 1.5512 | 0.5000 |
| Threonine | 1.4228 | 0.7606 | 0.6827 |
| Thymidine | 1.4712 | 0.7227 | 0.6689 |
| Thymidine 5^-diphosphate | 0.1838 | 2.1217 | 0.2072 |
| trans-10-Heptadecenoic acid | 2.3665 | 0.1455 | 0.1468 |
| trans-2-Butene-1,4-dicarboxylic Acid | 0.8767 | 1.0836 | 1.0630 |
| trans-Aconitic acid | 1.0567 | 0.8432 | 1.2231 |
| trans-Cinnamic acid | 1.3272 | 0.7558 | 0.8800 |
| trans-Petroselinic acid | 0.2171 | 0.2849 | 4.0551 |
| Traumatic acid | 0.8432 | 1.1632 | 0.9589 |
| Trehalose 6-phosphate | 0.8118 | 1.2035 | 0.9347 |
| Tretinoin | 0.3584 | 0.9484 | 2.3653 |
| Trifolin | 1.4862 | 0.7557 | 0.5693 |
| Trolox | 1.0114 | 1.0014 | 0.9747 |
| Tyrosol | 0.9872 | 1.0984 | 0.8153 |
| Tyrosylalanine | 0.8347 | 0.8080 | 1.7325 |
| UDP-N-acetylglucosamine | 0.8749 | 1.1089 | 1.0128 |
| Ureidosuccinic acid | 1.3533 | 0.7347 | 0.8739 |
| Uric acid | 1.0238 | 0.1404 | 2.7848 |
| Uridine | 0.6225 | 0.6246 | 2.5382 |
| Uridine monophosphate (UMP) | 0.4548 | 0.9405 | 2.1935 |
| Ursolic acid | 1.2957 | 0.7362 | 0.9835 |
| Valeric acid | 1.5556 | 0.6291 | 0.7031 |
| Valsartan metabolite | 0.6303 | 0.6839 | 2.3967 |
| Vanillic acid | 0.6426 | 1.4864 | 0.6631 |
| Xanthosine | 1.1465 | 0.8491 | 1.0348 |
| Xanthurenic Acid | 0.9339 | 1.0998 | 0.9167 |
| α-D-Glucose-1,6-bisphosphate | 0.7693 | 0.6377 | 2.2233 |
| α-Estradiol | 1.2169 | 0.4512 | 1.7447 |
| α,α-Trehalose | 0.6797 | 1.4189 | 0.7343 |
| β-D-Glucopyranuronic acid | 1.1244 | 1.2411 | 0.2430 |
| β-Estradiol-17β-glucuronide | 1.2260 | 0.7338 | 1.1250 |
| β-Muricholic acid | 1.0803 | 0.7972 | 1.2749 |
| Δ17-6-keto prostaglandin F1α | 0.8339 | 1.1419 | 1.0226 |
| δ-Gluconic acid δ-lactone | 0.4356 | 1.8438 | 0.3066 |
| δ-Ribono-1,4-lactone | 1.2731 | 0.8108 | 0.8688 |
Factors:
| F1 | Sample source:human_stool | Treatment:post-4-week cholestyramine |
| F2 | Sample source:human_stool | Treatment:pre-4-week cholestyramine |
| F3 | Sample source:human_stool | Treatment:ursodeoxycholic acid |