Data for (Study ST003778)
(Analysis AN006206)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 |
|---|---|---|---|---|---|---|
| 11,14,17-Eicosatrienoic acid | 0.0010 | 0.8727 | 0.8421 | 1.1100 | 1.4861 | 1.1546 |
| 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)propan-1-one | NA | 0.8376 | 1.0279 | 1.0830 | 0.8277 | 1.2737 |
| 1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol | NA | 0.9926 | 0.8569 | 1.0711 | 1.1593 | 0.9627 |
| 1b-Hydroxycholic acid | NA | 1.5320 | 0.9179 | 0.8924 | 0.8283 | 0.7648 |
| 1-Methylxanthine | NA | 0.7437 | 1.0369 | 0.9760 | 0.6812 | 1.6449 |
| 1-Nitrohexane | 0.0061 | 0.7447 | 1.5217 | 1.2006 | 0.7309 | 1.4194 |
| 1-O-Galloylglycerol | NA | 1.1475 | 1.1131 | 1.1103 | 0.8812 | 0.8141 |
| (1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate | 0.0004 | 1.2735 | 1.3200 | 0.9657 | 0.7415 | 0.7787 |
| 2-(1,3-dioxoisoindolin-2-yl)ethanesulfonate | NA | 0.7633 | 0.9984 | 1.1938 | 0.9856 | 1.1752 |
| 2-(1-Methylpropyl)-4,6-dinitrophenol | 0.0071 | 1.0916 | 1.5624 | 1.0509 | 0.5806 | 0.8442 |
| 2-(2-Phenylacetoxy)propionylglycine | NA | 1.2050 | 1.0860 | 1.0011 | 0.8141 | 0.8945 |
| 2,3,4,5-Tetrahydroxypentanoic acid | 0.0013 | 0.8206 | 1.6117 | 1.3964 | 1.0177 | 0.8907 |
| 2,3,4-trihydroxy-butanoic acid | 0.0034 | 1.0767 | 0.6821 | 1.2083 | 1.3179 | 1.0394 |
| 2,3,6-Trihydroxypyridine | 0.0134 | 0.9205 | 1.2331 | 1.0765 | 1.0902 | 1.1202 |
| 2,3-dihydro-3-hydroxy-anthranilate | NA | 1.4558 | 1.0979 | 1.2152 | 0.5570 | 0.8031 |
| 2,3-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1- benzopyran-4-one | NA | 0.9148 | 0.6908 | 1.0048 | 1.2525 | 1.1401 |
| 2,4,6/3,5-Pentahydroxycyclohexanone | NA | 0.7508 | 1.0013 | 0.9693 | 0.9986 | 1.2616 |
| 24-methylene-cholest-5-en-3beta-ol-3-sulfate | NA | 0.7688 | 0.9547 | 0.9946 | 1.1794 | 1.0992 |
| 2,6-dideoxy-2-acetamidino--L-galactose | NA | 0.8292 | 1.3852 | 1.0631 | 0.5028 | 1.2576 |
| 2,6-dideoxy-2-acetamidino--L-galactose_1 | NA | 0.3982 | 1.1175 | 1.0596 | 1.1813 | 1.2792 |
| 2,6-dideoxy-2-acetamidino--L-galactose_2 | NA | 0.8666 | 1.3104 | 1.0580 | 0.4707 | 1.3291 |
| 2,6-Dihydroxynicotinate | 0.0536 | 1.0903 | 1.0414 | 1.1799 | 1.2482 | 0.9267 |
| 2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one | 0.0238 | 1.3811 | 0.7534 | 1.1477 | 1.1373 | 1.1572 |
| 2-amino-5-methyl-muconate semialdehyde | 0.0821 | 0.8313 | 1.0931 | 1.3632 | 1.0985 | 1.2908 |
| 2-aminogalactopyranose | 0.0141 | 1.3013 | 1.0929 | 1.0800 | 0.6577 | 1.0148 |
| 2-hydrazinyl-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid | NA | 1.2916 | 1.2326 | 1.0311 | 0.6501 | 0.8132 |
| 2-{[hydroxy(2,3,4,5-tetrahydroxyphenyl)methylidene]amino}acetic acid | NA | 0.8193 | 0.4767 | 1.1372 | 1.4059 | 1.2433 |
| 2-{[hydroxy(2,3,4,5-tetrahydroxyphenyl)methylidene]amino}acetic acid_1 | NA | 0.8525 | 0.9609 | 1.1750 | 1.0010 | 1.1156 |
| 2-Hydroxy-2,4-pentadienoate | 0.0121 | 1.5245 | 1.0138 | 1.2376 | 0.9857 | 0.8749 |
| 2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate | 0.0035 | 0.9959 | 0.9967 | 1.0812 | 1.2491 | 1.1244 |
| 2-Hydroxy-6-ketononatrienedioate | NA | 1.3407 | 1.1996 | 1.0691 | 0.7239 | 0.7082 |
| 2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate | NA | 1.4905 | 1.2958 | 1.2709 | 0.5697 | 0.5357 |
| 2-Hydroxyethanesulfonate | 0.0036 | 0.7738 | 0.1361 | 1.3660 | 1.5672 | 1.5758 |
| 2-Hydroxyglutaric acid | 0.0034 | 1.0512 | 1.1393 | 1.0983 | 1.1592 | 1.1092 |
| 2-Hydroxyhepta-2,4-dienedioate | 0.0067 | 0.8079 | 0.4188 | 1.1574 | 1.6089 | 1.3994 |
| 2^-hydroxypyridoxol | 0.0081 | 1.1564 | 0.8291 | 1.1309 | 1.1407 | 1.3174 |
| 2^-hydroxypyridoxol_1 | 0.0106 | 1.0687 | 0.9881 | 1.1123 | 1.0106 | 1.2834 |
| 2-Hydroxystearic acid | 0.0009 | 0.7337 | 1.3804 | 1.0982 | 1.0984 | 1.1479 |
| 2-methyl-3-(sulfooxy)propanoic acid | NA | 0.6692 | 1.5865 | 1.0638 | 0.7329 | 0.9859 |
| 2-methyl-3-(sulfooxy)propanoic acid_1 | NA | 0.9396 | 1.0185 | 1.0963 | 1.1287 | 0.8746 |
| 2-methyl-3-(sulfooxy)propanoic acid_2 | NA | 0.9405 | 0.8937 | 1.1599 | 1.0051 | 1.0967 |
| 2-O-Sulfolactate | 0.0174 | 0.9582 | 1.8411 | 1.2573 | 0.6311 | 0.9580 |
| 2-Oxohept-3-enedioate | 0.0074 | 1.1500 | 0.7713 | 1.0951 | 1.1958 | 1.1427 |
| 2-oxopropane sulfonate | 0.0236 | 1.0203 | 1.0093 | 1.1961 | 1.1205 | 1.1620 |
| 2-oxosuberate | 0.0353 | 1.1994 | 1.0248 | 1.2208 | 1.1328 | 1.0371 |
| 2-[(sulfooxy)methyl]butanoic acid | NA | 0.9194 | 0.9472 | 1.1385 | 0.9659 | 1.1121 |
| 3-(1-Formyl-1-propenyl)pentanedioic acid | 0.0019 | 1.4627 | 1.0679 | 1.1088 | 0.9969 | 0.8283 |
| 3-(2,3-dihydroxyphenyl)propanoic acid | 0.0085 | 0.7852 | 1.0969 | 0.9390 | 1.2924 | 1.2465 |
| 3-(3,4-Dihydroxyphenyl)lactic acid | 0.0081 | 1.1695 | 1.2063 | 1.0931 | 0.9743 | 1.0094 |
| 3-(3,4-Dihydroxyphenyl)lactic acid_1 | 0.0285 | 0.5706 | 0.8349 | 1.1725 | 1.5000 | 1.4141 |
| 3,3^-Thiobispropanoic acid | NA | 0.6967 | 0.5428 | 1.0421 | 1.4353 | 1.3084 |
| 3,4-Dehydrothiomorpholine-3-carboxylate | NA | 0.5991 | 0.8995 | 1.1333 | 0.9010 | 1.5471 |
| 3,4-Dihydroxyphenylacetaldehyde | 0.0269 | 0.7531 | 1.7819 | 1.1156 | 0.8199 | 1.0855 |
| 3,5/4-Trihydroxycyclohexa-1,2-dione | 0.0170 | 1.0931 | 1.0174 | 1.2107 | 1.1551 | 1.1416 |
| 3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one | 0.0068 | 1.5498 | 1.4298 | 1.0806 | 0.6508 | 0.7346 |
| 3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one_1 | 0.0061 | 1.6889 | 1.2632 | 1.1694 | 0.6466 | 0.7312 |
| 3,5-Dihydroxyanthranilate | 0.0763 | 0.8376 | 0.5722 | 1.3446 | 1.4566 | 1.0882 |
| 3-amino-2,3-dideoxy-scyllo-inosose | 0.0133 | 0.7485 | 0.7946 | 1.1726 | 1.1049 | 1.6776 |
| 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid | 0.0059 | 0.7564 | 0.9792 | 1.0283 | 1.0579 | 1.2946 |
| 3-hydroxy-2-methyl-2-[(sulfooxy)methyl]propanoic acid | NA | 0.7722 | 1.2040 | 1.4514 | 0.8003 | 1.0430 |
| 3-Hydroxy-2-methylpyridine-4,5-dicarboxylate | NA | 0.8785 | 0.9693 | 1.1276 | 0.9400 | 1.1611 |
| 3-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate | NA | 1.2728 | 1.0777 | 1.1206 | 0.8031 | 0.7981 |
| 3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate | 0.0035 | 0.8939 | 0.9355 | 1.0607 | 1.2093 | 1.3357 |
| 3-Hydroxysebacic acid | 0.0034 | 0.9722 | 1.2996 | 1.0517 | 0.7235 | 1.0837 |
| 3-Sulfonatolactate | 0.0158 | 0.8161 | 0.9345 | 1.3138 | 1.3776 | 1.2384 |
| 3-sulfopropanoate | NA | 0.8577 | 0.8128 | 1.2831 | 0.9399 | 1.2764 |
| 3-sulfopropanoate_1 | NA | 0.9318 | 0.7167 | 1.3491 | 0.9631 | 1.2488 |
| 3^-UMP | NA | 0.6279 | 1.3200 | 1.1267 | 1.2894 | 0.7120 |
| 4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid O-glucoside | NA | 0.8173 | 0.5118 | 0.8764 | 1.2400 | 1.4803 |
| (4-ethyl-2,6-dihydroxyphenyl)oxidanesulfonic acid | NA | 0.9392 | 0.9174 | 1.1419 | 1.0299 | 1.0568 |
| 4-Hydroxybutyric acid | 0.0924 | 0.3603 | 0.3874 | 1.3002 | 1.2689 | 2.3170 |
| 4-Hydroxyphthalate | 0.0274 | 0.7214 | 1.0716 | 1.1352 | 1.0408 | 1.2094 |
| 4-methylmorpholine N-oxide | 0.0070 | 1.0360 | 1.6914 | 1.2032 | 0.8065 | 0.8813 |
| 4-methylmorpholine N-oxide_1 | 0.0135 | 0.8063 | 1.6756 | 1.1805 | 0.6735 | 1.2657 |
| 4-O-beta-D-Glucosyl-4-hydroxycinnamate | NA | 1.2974 | 1.1929 | 0.9137 | 0.8383 | 0.7059 |
| 5,12-dihydroperoxy-6,8,10,14-eicosatetraenoic acid | NA | 1.0425 | 1.1136 | 0.9427 | 0.8792 | 0.9876 |
| 5-(2^-Carboxyethyl)-4,6-dihydroxypicolinate | NA | 0.7059 | 0.6764 | 1.0553 | 1.3303 | 1.2654 |
| 5-(2^-Formylethyl)-4,6-dihydroxypicolinate | NA | 0.9375 | 0.8711 | 1.0402 | 1.1056 | 1.0697 |
| 5-(3,4-dihydroxyphenyl)-4-(sulfooxy)pentanoic acid | NA | 0.9181 | 1.2899 | 1.0184 | 0.7057 | 1.0790 |
| 5-(3,4-dihydroxyphenyl)-4-(sulfooxy)pentanoic acid_1 | NA | 0.2241 | 0.9503 | 1.4413 | 1.1589 | 1.4902 |
| 5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline | 0.0002 | 0.7889 | 1.0255 | 1.1082 | 1.1856 | 1.3566 |
| 5-Carboxy-2^-deoxyuridine | NA | 0.4978 | 0.3931 | 1.0203 | 1.7975 | 1.3034 |
| 5-Dehydro-4-deoxy-D-glucarate | 0.0028 | 0.6645 | 0.6465 | 1.2222 | 1.5064 | 1.2931 |
| 5-formyl-3-hydroxy-2-methylpyidine-4-carboxylate | 0.0125 | 0.8069 | 0.6639 | 1.1084 | 1.5124 | 1.3685 |
| (5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)oxidanesulfonic acid | NA | 0.8942 | 0.9171 | 1.1192 | 1.0023 | 1.1387 |
| 5-Hydroxypentanoic acid | 0.0158 | 0.8349 | 0.6866 | 1.2587 | 1.5272 | 1.3400 |
| 5-Methoxy-3-hydroxyanthranilate | 0.0089 | 1.2104 | 1.0882 | 1.1185 | 0.9729 | 1.0776 |
| 5-methylbenzimidazole ribotide phosphate | NA | 0.7788 | 1.0226 | 1.2174 | 1.0800 | 1.0317 |
| 5-Oxo-D-proline | 0.0763 | 1.2331 | 1.3787 | 1.1178 | 0.9044 | 0.8986 |
| 5-Thymidylic acid | NA | 0.4909 | 0.6435 | 1.2547 | 1.2981 | 1.4656 |
| 6-(2-amino-2-carboxyethyl)-4-hydroxybenzothiazole | NA | 0.7390 | 1.0248 | 1.0792 | 1.0339 | 1.1706 |
| 6-(4-carboxy-2-hydroxy-6-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid | NA | 0.3621 | 1.1321 | 1.1389 | 1.3063 | 1.1440 |
| 6-deoxy-6-sulfo-D-glucono-1,5-lactone | NA | 0.9754 | 1.2068 | 1.1549 | 0.8307 | 0.9252 |
| 6-Hydroxyindolelactate | 0.0032 | 0.9128 | 0.5127 | 1.1201 | 1.6373 | 1.2879 |
| 6-Hydroxynicotinic acid | 0.0087 | 0.9320 | 0.5420 | 1.1664 | 1.5608 | 1.3943 |
| 7,8-Dihydro-7,8-dihydroxykynurenate | NA | 1.0026 | 0.9198 | 1.0431 | 0.9311 | 1.1292 |
| 7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate | 0.0033 | 1.5499 | 1.1025 | 0.9364 | 0.8872 | 0.7848 |
| 9-Hydroxy-4-methoxypsoralen 9-glucoside | NA | 1.4472 | 1.4221 | 0.9842 | 0.5788 | 0.5583 |
| Acesulfame | NA | 0.8019 | 1.1280 | 1.0557 | 0.8131 | 1.2347 |
| Adenine | 0.0260 | 1.4116 | 0.8553 | 1.1256 | 0.6657 | 1.4068 |
| Adenosine | NA | 0.8732 | 0.9732 | 1.2194 | 1.2329 | 0.8329 |
| Adenosine monophosphate | NA | 0.5604 | 1.3985 | 1.2002 | 1.3864 | 0.5747 |
| Ala/Ala/Ala/Ser | 0.0003 | 0.5349 | 1.9134 | 1.1906 | 1.0356 | 0.6397 |
| Ala/Asn/Pro | NA | 1.1250 | 1.1791 | 0.9395 | 0.9387 | 0.7815 |
| Alanine | 0.0153 | 0.6820 | 1.1823 | 1.1851 | 1.0661 | 1.4879 |
| Alanyl-Proline | NA | 0.8252 | 1.1165 | 1.0271 | 0.7410 | 1.3064 |
| Allamandin | NA | 1.3516 | 0.8781 | 0.9297 | 0.9823 | 0.8162 |
| Aminohydroquinone | 0.0378 | 1.1458 | 1.1024 | 1.2274 | 1.0331 | 1.1089 |
| Antiarol | 0.0065 | 1.0882 | 0.8516 | 1.1700 | 1.0804 | 1.3092 |
| Aromadendrin | NA | 0.8387 | 0.3034 | 0.9496 | 1.4288 | 1.2491 |
| Ascorbalamic acid | NA | 0.5247 | 1.3478 | 1.0459 | 0.7005 | 1.4086 |
| Ascorbate | 0.0067 | 0.9471 | 1.0351 | 1.7515 | 0.9244 | 0.9914 |
| ascr#11 | 0.1300 | 0.6997 | 1.7950 | 0.9663 | 0.8410 | 1.1128 |
| Asn/Pro/Ser | NA | 0.7256 | 1.4022 | 1.0979 | 1.1603 | 0.6727 |
| Asp/Lys/Thr/Thr/Thr | NA | 1.2653 | 1.5113 | 0.9445 | 0.6632 | 0.5824 |
| ATPA | 0.0082 | 1.1614 | 1.0768 | 1.1132 | 0.8673 | 1.1467 |
| Azelaic acid | 0.0182 | 1.1077 | 0.8341 | 1.1619 | 1.1051 | 1.3792 |
| beta-Alanopine | 0.0013 | 0.9305 | 0.9201 | 1.1408 | 1.1900 | 1.3026 |
| bhos_20 | NA | 0.9865 | 0.8517 | 0.9529 | 1.0804 | 1.1002 |
| But-1-ene-1,2,4-tricarboxylate | 0.0341 | 0.9998 | 0.9521 | 1.1926 | 1.0610 | 1.0067 |
| Cathinone | NA | 1.3480 | 1.1475 | 1.0685 | 0.7175 | 0.7596 |
| Chlorogenic acid | NA | 1.2242 | 1.3024 | 1.1620 | 0.6701 | 0.7385 |
| Cholesterol sulfate | NA | 0.9708 | 0.9819 | 1.0424 | 1.0626 | 0.9677 |
| cis-(homo)3aconitate | 0.0072 | 1.2662 | 1.1529 | 1.1624 | 1.0132 | 0.9991 |
| Citric acid | 0.0018 | 0.3715 | 1.7218 | 1.3702 | 1.2125 | 1.0452 |
| Cucurbitacin F | NA | 0.6476 | 1.1208 | 0.9920 | 1.2851 | 0.9498 |
| Cyclodopa glucoside | NA | 0.7567 | 1.0402 | 1.2395 | 1.0455 | 1.0617 |
| Cystathionine ketimine | NA | 0.7582 | 1.2373 | 0.9844 | 0.9682 | 1.0426 |
| Cysteinosuccinic acid | NA | 0.0655 | 3.4635 | 1.3311 | 0.1339 | 0.2047 |
| daunosamine | NA | 0.6841 | 0.6115 | 0.9305 | 1.3953 | 1.3370 |
| dehypoxanthine futalosine | NA | 1.2119 | 1.0706 | 0.9635 | 0.8962 | 0.8359 |
| Deoxyadenosine monophosphate | NA | 0.5762 | 0.7489 | 1.2408 | 1.2600 | 1.3187 |
| D-galactopyranosyl trimethylammonium bromide | NA | 0.8305 | 1.1626 | 0.9874 | 1.2168 | 0.8032 |
| Dictyoquinazol A | NA | 0.8403 | 1.1370 | 1.0300 | 0.9879 | 1.0228 |
| Diethyl tartrate | 0.0046 | 1.5031 | 0.9170 | 1.1224 | 0.9015 | 0.9281 |
| dihomomethionine | NA | 0.5930 | 0.2643 | 0.9790 | 1.6032 | 1.4336 |
| Dihydroferulic acid 4-sulfate | NA | 0.4141 | 0.7106 | 1.0798 | 1.3819 | 1.4615 |
| Dihydrouracil | 0.0111 | 1.4076 | 0.3089 | 1.2828 | 1.4018 | 1.2631 |
| D-Man-4,6-pyruvate | NA | 1.0721 | 1.0449 | 1.0866 | 0.8949 | 0.9534 |
| Docosahexaenoic acid | 0.0002 | 0.6701 | 1.2481 | 1.1540 | 1.2417 | 1.1784 |
| Docosapentaenoic acid (22n-6) | 0.0003 | 0.6734 | 0.6398 | 1.0971 | 1.3100 | 1.4379 |
| Dodecanoic acid | 0.2455 | 0.8238 | 1.0573 | 1.1806 | 1.1186 | 1.3054 |
| Epsilon-(gamma-Glutamyl)-lysine | NA | 1.2631 | 1.3169 | 1.3790 | 0.5384 | 0.7300 |
| Erythrulose | 0.0476 | 0.7829 | 1.3799 | 1.1193 | 0.7342 | 1.5315 |
| Esculentic acid (Diplazium) | NA | 0.8448 | 0.6630 | 1.0338 | 1.3536 | 1.1251 |
| FA (18:2) | 0.0012 | 1.0007 | 1.3207 | 1.1474 | 1.0791 | 1.0399 |
| FA (18:3) | 0.0011 | 1.3620 | 1.1845 | 1.0759 | 0.9451 | 0.9774 |
| FA methyl(14:0) | 0.0020 | 0.6077 | 0.6616 | 1.1142 | 1.5278 | 1.6563 |
| Fucosamine | 0.0716 | 1.0523 | 0.9835 | 1.0967 | 1.1367 | 1.0673 |
| Fukiic acid | NA | 1.6295 | 1.1870 | 1.0296 | 0.6652 | 0.5065 |
| furaneol glucopyranoside | 0.0073 | 1.2836 | 1.4641 | 1.3050 | 0.6514 | 0.6774 |
| Galacturonate | 0.0065 | 0.7271 | 0.9561 | 1.1734 | 1.0462 | 1.3006 |
| gamma-Glutamylisoleucine | NA | 0.8431 | 1.0458 | 1.1312 | 0.7428 | 1.3157 |
| gamma-Glutamylleucine | NA | 0.7759 | 0.9309 | 1.1112 | 1.0663 | 1.1825 |
| Gentisic acid | 0.0016 | 0.7506 | 0.6636 | 1.1980 | 1.2523 | 1.6537 |
| Gluconolactone | 0.0020 | 0.6721 | 1.2925 | 1.1796 | 1.0725 | 1.3901 |
| Glucose | 0.0039 | 1.0699 | 0.5869 | 1.1687 | 1.7926 | 0.5828 |
| Glucuronate | NA | 0.6094 | 0.6224 | 1.0680 | 1.3101 | 1.4310 |
| glutamyl-isopropylamide | NA | 0.9246 | 0.7189 | 1.1710 | 1.0723 | 1.2158 |
| Glu/Val/Val | NA | 0.9125 | 0.8694 | 1.0825 | 1.1010 | 1.0840 |
| Glycerol | 0.0787 | 0.6959 | 1.4238 | 1.1652 | 0.9535 | 1.3215 |
| Glycerol 3-phosphate | NA | 0.3363 | 1.0644 | 1.1057 | 0.9691 | 1.5879 |
| glycerophosphoserine | NA | 0.4035 | 0.8107 | 1.1291 | 1.4422 | 1.2920 |
| Guanine | NA | 0.4826 | 0.5882 | 1.2303 | 1.1559 | 1.6813 |
| Hippuric acid | 0.0319 | 0.9516 | 0.8359 | 1.0896 | 1.1373 | 1.1361 |
| Homocysteic acid | NA | 0.9008 | 0.7997 | 1.0768 | 1.0338 | 1.2351 |
| Hydantoin-5-propionic acid | NA | 1.8153 | 1.2027 | 1.0588 | 0.3664 | 0.5922 |
| Hydroxyprolyl-Isoleucine | NA | 0.9301 | 1.3276 | 1.0514 | 0.7937 | 0.9280 |
| Hydroxypyruvic acid | 0.0069 | 1.5459 | 1.4560 | 1.2167 | 0.3231 | 1.0847 |
| Hypoglycin B | 0.0166 | 1.0120 | 0.8650 | 1.0468 | 1.0144 | 1.1881 |
| Indolelactic acid | 0.0011 | 0.7293 | 1.1345 | 1.0133 | 1.1161 | 1.1147 |
| Inositol cyclic phosphate | NA | 0.4473 | 0.3555 | 1.1625 | 1.4682 | 1.6640 |
| Isoleucyl-Alanine | NA | 0.7418 | 1.4031 | 1.0191 | 0.5240 | 1.3234 |
| Itaconic acid | 0.0302 | 0.6023 | 1.5053 | 1.1688 | 1.0149 | 1.2947 |
| jamaicamide B | NA | 1.0980 | 1.2984 | 0.9944 | 0.6965 | 0.9094 |
| Kynurenic acid | NA | 0.7210 | 0.8152 | 1.0601 | 1.0836 | 1.3561 |
| Lactic acid | 0.5470 | 1.1111 | 1.1300 | 1.0922 | 0.9430 | 1.0055 |
| Leukotriene B4 | NA | 1.0123 | 0.4728 | 1.0495 | 1.2017 | 1.2935 |
| Lotaustralin | NA | 0.9555 | 0.9105 | 1.0105 | 1.1062 | 1.0235 |
| LysoPE(0:0/16:0) | NA | 0.7277 | 0.8012 | 0.9153 | 1.3135 | 1.1915 |
| Lysyl-Valine | NA | 2.0693 | 0.8843 | 1.1846 | 0.2967 | 0.6056 |
| Malic acid | 0.0032 | 0.5204 | 1.0820 | 1.5378 | 1.3249 | 1.3560 |
| Medicagenic acid | NA | 1.1571 | 0.9020 | 1.0490 | 1.0652 | 0.8562 |
| Medicagenic acid_1 | NA | 1.4258 | 0.8608 | 0.9240 | 1.0089 | 0.7349 |
| Methacholine | NA | 0.8182 | 1.1688 | 0.9167 | 1.1586 | 0.9023 |
| Methyloxaloacetate | 0.0075 | 1.0453 | 1.1130 | 1.0477 | 0.9473 | 1.0737 |
| minimycin | NA | 0.7471 | 1.1575 | 1.2044 | 0.9112 | 1.1025 |
| Monomethyl sulfate | 0.0081 | 0.9503 | 0.9714 | 1.1342 | 1.1864 | 1.0365 |
| Mumefural | NA | 0.9587 | 1.0984 | 1.1663 | 0.9569 | 0.9195 |
| Myristic acid | 0.0163 | 0.7332 | 0.8072 | 1.1522 | 1.4071 | 1.4834 |
| N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine | NA | 0.8765 | 1.0609 | 1.2142 | 0.9248 | 1.0521 |
| N3-hydroxyethylcytosine | 0.0028 | 0.7583 | 1.1968 | 1.0950 | 1.0121 | 1.3936 |
| N3-hydroxyethylcytosine_1 | NA | 0.9866 | 0.8912 | 1.1345 | 1.0392 | 1.0293 |
| N3-hydroxyethylcytosine_2 | 0.0030 | 0.9286 | 1.3197 | 1.1337 | 0.8333 | 1.2637 |
| N3-hydroxypropylcytosine | NA | 0.6481 | 1.1291 | 1.0934 | 1.1198 | 1.0656 |
| N-[-3-methylhex-2-enoyl]-L-glutamine | NA | 1.4111 | 1.1798 | 1.1271 | 0.6954 | 0.6629 |
| N-[-3-methylhex-2-enoyl]-L-glutamine_1 | NA | 1.5218 | 1.2334 | 1.0126 | 0.5823 | 0.6574 |
| N6-Acetyl-L-lysine | NA | 0.6759 | 1.2101 | 1.1016 | 0.9419 | 1.1315 |
| N-Acetylgalactosaminate | NA | 0.4913 | 0.6676 | 1.1277 | 1.3720 | 1.4180 |
| N-Acetyl-L-aspartic acid | NA | 0.5741 | 1.3173 | 1.0991 | 0.9624 | 1.1066 |
| N-Acetyl-L-glutamate 5-semialdehyde | 0.0034 | 1.2141 | 0.9479 | 1.0855 | 1.1815 | 1.0209 |
| N-Acetyl-L-glutamate 5-semialdehyde_1 | 0.0037 | 0.9116 | 0.9626 | 1.2423 | 1.2318 | 0.9962 |
| N-Acetyl-L-glutamate 5-semialdehyde_2 | 0.0069 | 1.3555 | 1.2804 | 1.1159 | 0.7962 | 1.0182 |
| N-acetyl-L-glutaminyl-L-glutamine amide | NA | 0.7438 | 0.9764 | 1.0742 | 1.0612 | 1.1889 |
| N-Acetyl-L-phenylalanine | NA | 0.3877 | 0.8490 | 1.1220 | 1.2194 | 1.4950 |
| N-Acetylneuraminate | NA | 0.8187 | 0.6256 | 1.2167 | 1.1713 | 1.2978 |
| N-Butyryl-L-homoserine lactone | 0.0053 | 0.9257 | 0.9660 | 1.0941 | 1.2068 | 1.2617 |
| N-D-Glucosylarylamine | 0.0145 | 1.3743 | 1.0130 | 1.0480 | 0.9658 | 1.0219 |
| N-Hydroxy-L-tyrosine | 0.0022 | 1.6891 | 1.4243 | 1.0424 | 0.5901 | 0.6786 |
| (N-Hydroxy-N-methylcarbamoyl)glutathione | NA | 1.3559 | 1.2242 | 1.1456 | 0.6688 | 0.6928 |
| Nicotinate D-ribonucleoside | NA | 1.1241 | 1.2514 | 1.0805 | 0.7615 | 0.8308 |
| N-Methyl-2-oxoglutaramate | NA | 0.5525 | 1.3056 | 1.0477 | 1.1555 | 0.9673 |
| Normetanephrine | 0.0101 | 1.2435 | 0.6896 | 1.3100 | 1.4223 | 0.9166 |
| Ornithine | 0.0117 | 1.6387 | 0.9857 | 1.2700 | 0.6731 | 1.0887 |
| Orotic acid | NA | 0.2298 | 2.4169 | 1.1987 | 0.3103 | 0.9547 |
| Osmundalin | NA | 1.4786 | 1.1404 | 1.0365 | 0.7226 | 0.6437 |
| O-Succinyl-L-homoserine | NA | 0.5392 | 0.8019 | 1.0657 | 1.3220 | 1.3105 |
| Oxalic acid | 0.0747 | 0.7931 | 1.6097 | 1.2312 | 0.8268 | 1.1406 |
| oxo-1-carboxy-5,6-dihydrothiopyranpropanoate S-oxide | NA | 0.7083 | 0.8672 | 1.0617 | 1.0341 | 1.3657 |
| Oxoadipic acid | 0.0042 | 1.0684 | 0.8216 | 1.1314 | 1.2696 | 1.1861 |
| Oxoglutaric acid | NA | 0.3453 | 0.6477 | 1.2022 | 1.4642 | 1.4619 |
| Paucine | NA | 1.1871 | 0.9722 | 1.0485 | 0.7967 | 1.0246 |
| PC(13:0) | NA | 0.7970 | 0.8046 | 0.9746 | 1.2262 | 1.1824 |
| P-DPD | NA | 0.8455 | 0.9633 | 1.0680 | 1.3335 | 0.7580 |
| pentalenolactone D | 0.0130 | 0.9005 | 1.0712 | 1.1846 | 1.2384 | 1.2096 |
| Phenol sulphate | NA | 0.5503 | 0.8030 | 1.0457 | 1.1913 | 1.4371 |
| Phenoxyacetic acid | 0.0613 | 1.0668 | 1.0728 | 1.1638 | 1.0708 | 1.1935 |
| Phenyllactic acid | 0.0005 | 0.8423 | 0.6664 | 1.1616 | 1.4451 | 1.3813 |
| Phlorin | NA | 1.2189 | 1.1764 | 1.0018 | 0.8075 | 0.7965 |
| Phlorin_1 | NA | 1.2147 | 1.6499 | 1.3422 | 0.4832 | 0.5152 |
| Picolinic acid | 0.0648 | 0.8790 | 0.7206 | 1.2865 | 1.3204 | 1.3393 |
| PMETAM | NA | 0.3792 | 1.3633 | 1.0566 | 0.9456 | 1.2271 |
| Prenyl glucoside | NA | 0.9906 | 0.8729 | 1.0007 | 1.0314 | 1.1049 |
| Prenyl glucoside_1 | NA | 0.9592 | 0.8035 | 1.1406 | 1.2096 | 0.9715 |
| Prephenate | NA | 0.7940 | 0.8170 | 0.9637 | 1.3035 | 1.1000 |
| pyridine-N-oxide | 0.0331 | 1.2827 | 1.2325 | 1.3064 | 0.8457 | 0.9033 |
| Pyridoxine | 0.0125 | 1.1103 | 0.7218 | 1.1567 | 1.2970 | 1.2032 |
| Pyrogallol-2-O-glucuronide | NA | 1.0394 | 1.2773 | 1.0304 | 0.7549 | 0.9162 |
| Quinic acid | 0.0106 | 0.7617 | 0.7681 | 1.1668 | 1.3590 | 1.4402 |
| (R) 2,3-Dihydroxy-3-methylvalerate | 0.0113 | 0.8885 | 0.9207 | 1.1283 | 1.0695 | 1.4654 |
| Ranunculin | NA | 1.0189 | 1.3023 | 0.9275 | 0.9242 | 0.7837 |
| Rhamnono-1,4-lactone | 0.0016 | 1.9232 | 1.3460 | 1.0974 | 0.5967 | 0.5944 |
| Rhamnose | 0.0015 | 0.9303 | 0.5910 | 1.0946 | 1.3245 | 1.6156 |
| Ribose | 0.0005 | 1.1624 | 0.8755 | 1.1398 | 1.0398 | 1.1663 |
| Scopolin | NA | 1.2796 | 1.2365 | 0.9223 | 0.8853 | 0.6296 |
| (S)C(S)S-S-Methylcysteine sulfoxide | 0.4294 | 0.9404 | 0.9725 | 1.1821 | 1.0952 | 1.1473 |
| Scytalone | 0.0370 | 1.1113 | 0.7550 | 1.1650 | 1.4357 | 1.1135 |
| sn-glycero-3-Phosphoethanolamine | 0.0025 | 0.4107 | 0.4821 | 1.0481 | 2.0424 | 1.2450 |
| Stizolobate | NA | 0.8107 | 0.8282 | 1.0571 | 1.0642 | 1.2741 |
| Succinic acid | 0.0022 | 0.6300 | 1.6653 | 1.2422 | 0.8875 | 1.2192 |
| Sulfate | 0.5263 | 0.9187 | 0.9031 | 1.1142 | 1.1195 | 1.2499 |
| sulfonic acid | NA | 0.5639 | 1.1928 | 0.9764 | 0.7909 | 1.4619 |
| sulfonic acid_1 | NA | 1.3339 | 1.0682 | 0.9660 | 0.6678 | 0.9437 |
| sulfonic acid_2 | NA | 0.9141 | 0.6155 | 0.9943 | 1.2456 | 1.2271 |
| sulfoquinovose | NA | 0.8088 | 1.0539 | 1.1563 | 0.9290 | 1.1457 |
| tetracenomycin A2 epoxyquinone | NA | 0.6904 | 1.1833 | 1.2709 | 0.8238 | 1.1942 |
| tetrahomocitrate | 0.0049 | 1.3884 | 1.2942 | 0.9559 | 0.7824 | 0.6521 |
| Theanine | NA | 0.8199 | 1.3399 | 1.0385 | 0.7305 | 1.0942 |
| Thr/Ala/Ala | NA | 0.6856 | 2.4297 | 1.2604 | 0.2864 | 0.4941 |
| Thr/Pro/Pro | NA | 0.8748 | 1.5058 | 1.0161 | 0.6421 | 0.9709 |
| Thymidine | NA | 0.5705 | 0.6240 | 1.0833 | 1.2253 | 1.5469 |
| Traumatic acid | 0.0017 | 0.7157 | 0.9018 | 1.2153 | 1.3209 | 1.3749 |
| trichotriol_1 | 0.0009 | 0.7035 | 0.5397 | 1.1831 | 1.3459 | 1.7374 |
| trichotriol_2 | 0.0010 | 0.7535 | 0.4859 | 1.2407 | 1.3191 | 1.7448 |
| Tryptophan | NA | 0.7508 | 1.0113 | 1.1023 | 0.9229 | 1.2741 |
| Tryptophanamide | NA | 0.3843 | 0.9977 | 1.0836 | 1.3259 | 1.2586 |
| Tyrosine | 0.0015 | 0.5949 | 1.3293 | 1.1184 | 0.8286 | 1.2997 |
| Tyrosine methyl ester 4-sulfate | NA | 0.8698 | 0.8873 | 1.0617 | 1.1110 | 1.1073 |
| Uracil | 0.0095 | 0.5919 | 0.8609 | 1.1727 | 1.1846 | 1.7888 |
| Uric acid | NA | 0.5655 | 0.8573 | 1.1579 | 1.1378 | 1.3762 |
| Urocanic acid | 0.0666 | 1.4721 | 0.8201 | 1.1240 | 0.9474 | 1.1774 |
| Valeric acid | 0.0282 | 0.9494 | 1.2120 | 1.1488 | 0.8393 | 1.4256 |
| Volkenin | NA | 1.0413 | 0.9967 | 0.6460 | 1.0378 | 1.0658 |
| Xanthine | NA | 0.3611 | 0.7062 | 1.0304 | 1.1496 | 1.7710 |
| Xanthurenic acid | NA | 0.9475 | 0.6170 | 0.9578 | 1.2712 | 1.1812 |
| Xylono-1,5-lactone | 0.0350 | 1.0514 | 0.7163 | 1.2504 | 1.1198 | 1.3983 |
Factors:
| F1 | Sample source:Extraction solvent | treatment:Extraction solvent |
| F2 | Sample source:mice stool | treatment:Non_responder_donor A |
| F3 | Sample source:mice stool | treatment:Non_responder_donor B |
| F4 | Sample source:mice stool | treatment:pooled QC |
| F5 | Sample source:mice stool | treatment:Responder_donor C |
| F6 | Sample source:mice stool | treatment:Responder_donor D |
