Data for (Study ST002194)
(Analysis AN003592)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 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 | F29 | F30 | F31 | F32 | F33 | F34 | F35 | F36 | F37 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1.2.4-Butanetriol | 1.2944 | 0.6926 | 0.7140 | 1.0864 | 1.4279 | 1.0803 | 0.7564 | 0.8412 | 0.4160 | 0.5783 | 0.9212 | 0.8649 | 1.2522 | 0.9053 | 1.0368 | 0.6390 | 0.7453 | 0.7183 | 0.9696 | 0.8269 | 0.6717 | 0.8403 | 0.4796 | 1.3108 | 1.5113 | 0.8659 | 0.8047 | 0.7295 | 2.4248 | 2.1950 | 0.9211 | 0.9478 | 1.1750 | 1.4766 | 2.6217 | 1.5310 | 1.1453 |
| "1,2 - dihydroxy-cyclohexene" | 1.0481 | 1.0166 | 0.7432 | 0.8013 | 0.9684 | 0.9111 | 0.9209 | 0.8703 | 1.1711 | 1.1776 | 1.0437 | 0.9989 | 0.9049 | 0.9928 | 0.9210 | 0.9987 | 0.8951 | 1.0101 | 0.9789 | 0.9366 | 0.9056 | 0.9511 | 1.1061 | 0.9196 | 0.9405 | 1.0181 | 0.9584 | 1.2792 | 1.0599 | 1.1419 | 0.9610 | 1.0217 | 0.8805 | 1.1649 | 1.1580 | 0.9877 | 0.9903 |
| "1,4 - Butanediol" | 1.1053 | 0.9883 | 0.9894 | 0.8881 | 0.8542 | 0.9978 | 0.6221 | 0.9604 | 0.4971 | 0.4641 | 0.7254 | 0.7921 | 1.2219 | 1.2370 | 0.8050 | 0.8812 | 0.7534 | 0.7868 | 0.7951 | 1.0277 | 0.7221 | 1.3993 | 0.8315 | 0.9503 | 0.4456 | 0.5913 | 0.6847 | 0.6871 | 2.7734 | 0.5446 | 1.1827 | 0.8438 | 0.8098 | 0.8656 | 4.5906 | 1.3345 | 1.7723 |
| 1-Octadecanol | 1.1268 | 1.1794 | 0.7665 | 1.1150 | 1.1182 | 1.0236 | 0.9677 | 0.9624 | 1.0233 | 1.0601 | 1.0052 | 1.0155 | 1.0098 | 1.0468 | 1.0772 | 0.9897 | 0.9493 | 0.9242 | 1.0237 | 0.9350 | 0.8431 | 0.9992 | 0.9426 | 1.0124 | 0.9247 | 0.9597 | 0.9296 | 1.2239 | 0.9623 | 1.0002 | 1.0309 | 1.0053 | 1.0502 | 1.0410 | 1.0844 | 0.9647 | 1.0137 |
| 2.3-Butanediol | 1.0182 | 0.8844 | 0.8580 | 0.7972 | 0.9526 | 0.8164 | 1.0631 | 0.8952 | 0.6652 | 0.6321 | 1.0008 | 1.0524 | 0.9464 | 1.0904 | 1.0409 | 1.1663 | 1.1908 | 1.1829 | 1.0720 | 1.2542 | 1.1870 | 1.0572 | 1.1615 | 0.9499 | 0.3710 | 0.9044 | 1.1398 | 1.0921 | 1.0489 | 0.3437 | 0.7781 | 1.0233 | 0.9621 | 0.8947 | 0.9618 | 1.0571 | 1.0520 |
| "2,3-dihydroxy-butane" | 0.9629 | 1.0910 | 0.8114 | 0.8829 | 1.1496 | 0.8847 | 1.0967 | 1.0026 | 0.9978 | 1.0821 | 1.0778 | 1.0679 | 1.0192 | 0.9496 | 1.0231 | 0.8764 | 1.0187 | 1.0185 | 1.1494 | 0.9279 | 0.9707 | 0.8829 | 1.1344 | 1.0297 | 0.9630 | 0.8564 | 1.1599 | 1.2417 | 0.9027 | 0.6723 | 1.1707 | 0.9965 | 0.9071 | 1.5326 | 1.3534 | 0.9671 | 1.0070 |
| "2,3-diphosphoglyceric acid" | 0.6338 | 0.9516 | 0.5308 | 0.4643 | 1.5357 | 0.4160 | 0.5957 | 0.8577 | 0.5263 | 0.5260 | 1.2572 | 1.0951 | 1.1325 | 1.3638 | 1.1962 | 1.1138 | 1.1585 | 1.1840 | 1.1044 | 1.1612 | 1.1808 | 0.9235 | 0.9704 | 1.3941 | 0.2587 | 0.7006 | 0.8221 | 0.9894 | 1.3252 | 0.2120 | 0.5142 | 1.0623 | 0.6247 | 0.5253 | 0.8915 | 1.1473 | 1.1488 |
| 2-Aminobutanoic acid | 0.7860 | 0.8564 | 0.7271 | 2.1608 | 0.7212 | 1.1786 | 0.9681 | 1.2570 | 0.5296 | 0.5264 | 0.7926 | 0.9832 | 0.6747 | 1.1935 | 1.5374 | 0.9429 | 0.8169 | 1.0299 | 1.0129 | 1.8847 | 1.1999 | 0.8468 | 2.0766 | 1.0584 | 0.0193 | 0.9949 | 0.5153 | 1.2250 | 1.0646 | 0.0097 | 0.5692 | 1.2115 | 0.9542 | 2.0994 | 0.3575 | 1.4598 | 0.8976 |
| 2-Hydroxybutyric acid | 0.7105 | 0.5071 | 1.1050 | 1.9084 | 0.6064 | 0.9375 | 0.5507 | 1.2114 | 0.4442 | 0.3876 | 0.6775 | 0.8736 | 0.6520 | 0.9395 | 1.6247 | 1.0557 | 0.8181 | 1.0454 | 1.0104 | 1.7396 | 0.8701 | 0.8418 | 1.7955 | 1.1037 | 0.6983 | 1.1590 | 0.6389 | 1.2816 | 1.2361 | 1.5772 | 0.6116 | 1.2314 | 1.5129 | 1.7923 | 0.4024 | 1.5340 | 0.9395 |
| 2-Hydroxyisovaleric acid (OR) 2-hydroxyisocaproic acid | 0.5882 | 0.4520 | 0.5413 | 0.8851 | 1.1205 | 0.5631 | 0.7246 | 1.8875 | 0.4255 | 0.5405 | 0.6986 | 0.8220 | 0.5428 | 0.6457 | 0.9991 | 0.7923 | 0.8600 | 1.1049 | 0.8326 | 2.2531 | 1.0194 | 1.2823 | 3.1007 | 0.6386 | 0.5372 | 0.9782 | 1.1491 | 1.5373 | 0.8418 | 0.6274 | 0.7941 | 1.2850 | 1.6236 | 1.7872 | 0.9134 | 1.6797 | 1.0946 |
| 2-ketoisocaproic acid | 0.9661 | 0.7386 | 0.8701 | 1.6783 | 1.4922 | 1.4489 | 1.8071 | 1.4496 | 0.7630 | 0.8279 | 0.8035 | 1.0388 | 0.7084 | 0.8559 | 1.5328 | 0.7705 | 1.0347 | 1.1204 | 1.7582 | 0.7614 | 0.8512 | 0.9701 | 1.3026 | 0.7232 | 1.0027 | 0.7922 | 0.7949 | 1.4730 | 0.9958 | 0.6154 | 0.5530 | 1.0971 | 1.4368 | 1.3022 | 0.5028 | 1.2244 | 0.7698 |
| 2-Ketoisovaleric acid | 0.9205 | 0.9649 | 0.8947 | 0.9638 | 1.0631 | 0.8578 | 0.9354 | 0.9777 | 1.3960 | 1.2488 | 0.9897 | 0.9749 | 1.0093 | 0.9554 | 1.0390 | 0.9980 | 0.9741 | 1.0244 | 1.0550 | 0.9944 | 0.9354 | 0.9347 | 0.9836 | 0.8971 | 0.7911 | 0.8959 | 0.8699 | 0.9854 | 1.1336 | 0.6959 | 1.0011 | 0.8963 | 0.9455 | 0.9817 | 0.9504 | 0.9541 | 0.9580 |
| Alpha-Ketoglutaric acid | 0.8412 | 1.1972 | 2.4033 | 0.9709 | 0.7570 | 1.9530 | 0.9328 | 0.7044 | 0.3811 | 0.3445 | 0.7966 | 0.8329 | 0.8108 | 0.9124 | 0.8448 | 0.7969 | 1.2102 | 1.3317 | 1.3799 | 1.3419 | 1.4224 | 0.9445 | 2.4457 | 0.9028 | 0.3321 | 0.5655 | 1.8015 | 0.5511 | 0.8373 | 0.3425 | 0.4349 | 1.4279 | 0.7104 | 0.5787 | 2.7216 | 1.2713 | 1.1510 |
| Azelaic acid | 7.0359 | 23.6319 | 8.4451 | 0.2921 | 8.2353 | 5.3679 | 0.2134 | 12.4339 | 0.2669 | 0.2702 | 0.2272 | 0.2356 | 0.2254 | 0.2484 | 0.1959 | 0.4081 | 0.2567 | 0.2342 | 0.2435 | 0.2878 | 0.2425 | 0.2757 | 0.2370 | 0.2990 | 0.2348 | 0.2250 | 0.1517 | 0.1606 | 0.3593 | 0.2376 | 0.1944 | 0.2548 | 0.2488 | 0.1731 | 0.3117 | 0.2480 | 0.2469 |
| Benzoic Acid | 1.1408 | 0.8691 | 0.8825 | 0.9328 | 1.2551 | 0.8160 | 1.1821 | 1.0018 | 0.9286 | 1.0354 | 1.0913 | 1.0455 | 1.0040 | 0.8974 | 0.9807 | 0.9853 | 0.8999 | 0.9731 | 1.0444 | 0.9448 | 0.9834 | 0.8425 | 1.2757 | 1.1225 | 1.1413 | 0.8560 | 0.9459 | 1.2341 | 0.8711 | 0.5686 | 1.2788 | 1.0544 | 1.0543 | 1.6933 | 1.1324 | 1.0097 | 1.0677 |
| Boric acid | 0.4564 | 0.2241 | 0.3632 | 0.7915 | 0.1406 | 0.4799 | 0.1818 | 0.4315 | 1.1987 | 1.1174 | 1.3413 | 1.0628 | 0.8663 | 1.3063 | 0.7891 | 1.2084 | 1.2012 | 1.3022 | 1.0601 | 1.6075 | 1.1983 | 1.1669 | 1.0057 | 0.8076 | 0.3220 | 0.7953 | 0.7711 | 1.2719 | 1.1014 | 0.3368 | 0.7511 | 0.9213 | 0.5856 | 0.8892 | 0.9399 | 1.0593 | 0.8481 |
| Butylbenzene | 0.9508 | 0.7713 | 0.7860 | 0.6485 | 1.1260 | 0.9279 | 1.0094 | 0.9019 | 1.6047 | 1.3768 | 0.9316 | 1.0003 | 0.8652 | 0.9292 | 0.8257 | 0.8863 | 1.1026 | 0.9825 | 0.9309 | 1.1178 | 0.9101 | 0.9389 | 0.9036 | 1.0012 | 1.1795 | 0.8261 | 0.6982 | 0.8111 | 1.2216 | 1.1839 | 0.8162 | 0.9227 | 0.8963 | 0.8835 | 0.8040 | 0.8347 | 0.7944 |
| Carbamic acid | 1.0665 | 1.1724 | 0.8309 | 0.8785 | 1.1197 | 1.1775 | 0.9727 | 0.9906 | 0.9863 | 0.9591 | 0.9819 | 1.3482 | 0.9060 | 1.0075 | 0.9745 | 0.9069 | 0.9761 | 0.9865 | 0.9822 | 0.9904 | 0.9515 | 1.0245 | 0.9803 | 0.9319 | 0.8425 | 0.8864 | 0.8904 | 0.9284 | 1.0831 | 0.8982 | 0.9339 | 0.9612 | 0.8672 | 0.8791 | 1.1606 | 0.9342 | 0.9873 |
| Cholesterol | 0.4007 | 0.3408 | 0.2962 | 1.1001 | 0.5767 | 0.3279 | 0.3635 | 0.3723 | 0.8490 | 0.9770 | 1.1442 | 0.9977 | 1.1058 | 1.0702 | 1.1917 | 0.9898 | 1.0551 | 1.1719 | 1.1401 | 1.0085 | 1.2581 | 1.0302 | 1.0606 | 1.3695 | 0.6023 | 0.7633 | 1.0646 | 1.2896 | 0.9539 | 0.3027 | 0.5301 | 1.1159 | 0.8959 | 1.0492 | 1.3421 | 1.1885 | 1.0315 |
| Citric acid | 2.1362 | 1.8824 | 3.9200 | 1.9319 | 2.5696 | 1.1069 | 1.7168 | 2.5076 | 0.6335 | 0.5655 | 0.7621 | 1.0749 | 1.1907 | 1.1704 | 1.8580 | 0.7888 | 0.9350 | 0.8216 | 0.7230 | 1.2248 | 0.9663 | 1.1050 | 0.9187 | 1.1921 | 0.2739 | 0.6065 | 0.5816 | 1.0475 | 0.9656 | 0.3447 | 0.8561 | 0.7260 | 0.6094 | 0.7807 | 0.6234 | 0.8907 | 0.9818 |
| Elaidic acid | 1.0837 | 1.8864 | 4.0094 | 1.6555 | 0.3207 | 1.1392 | 0.9090 | 1.4933 | 0.2755 | 0.2631 | 0.7033 | 1.1200 | 1.2810 | 1.1929 | 1.3531 | 1.9636 | 0.7096 | 0.7087 | 0.8919 | 1.1393 | 0.7729 | 1.0726 | 1.1449 | 1.5432 | 0.5458 | 0.8429 | 1.5884 | 0.9026 | 1.3379 | 0.4461 | 0.3596 | 0.7757 | 0.7359 | 0.7737 | 0.8289 | 1.2143 | 1.8687 |
| Erythritol | 0.8056 | 0.9398 | 0.9103 | 0.8216 | 0.6300 | 0.7919 | 0.5952 | 4.8386 | 0.4657 | 0.5466 | 0.5910 | 0.8294 | 1.2039 | 1.2375 | 0.7012 | 0.9296 | 0.7205 | 0.7051 | 0.6457 | 0.9441 | 0.6084 | 1.4132 | 0.8746 | 1.1817 | 0.3831 | 0.5148 | 0.7672 | 0.6448 | 2.8289 | 0.4934 | 1.3985 | 0.7254 | 0.8099 | 0.6356 | 3.6766 | 1.3822 | 1.7689 |
| Formamide | 1.0503 | 1.2298 | 0.8446 | 0.8793 | 1.1276 | 1.1814 | 0.9781 | 0.9864 | 0.9832 | 0.9491 | 0.9316 | 1.5292 | 0.8932 | 0.9886 | 0.9710 | 0.9027 | 0.9423 | 0.9575 | 0.8964 | 0.9853 | 0.9324 | 0.9978 | 0.9995 | 0.8985 | 0.8486 | 0.8879 | 0.8294 | 0.8924 | 1.1424 | 0.9115 | 0.9770 | 0.9378 | 0.8413 | 0.7837 | 1.1447 | 0.9185 | 0.9575 |
| fumaric acid | 0.9500 | 1.8680 | 1.0729 | 0.6537 | 1.2426 | 1.3383 | 0.9810 | 1.1854 | 0.3536 | 0.4066 | 0.7963 | 0.8893 | 1.1504 | 1.1463 | 1.6865 | 0.9892 | 1.0913 | 1.1982 | 0.8351 | 1.3424 | 1.1802 | 0.8308 | 1.2487 | 1.6703 | 0.3154 | 0.7620 | 1.2222 | 0.8179 | 0.9890 | 0.3028 | 0.3099 | 0.9965 | 0.7652 | 0.5362 | 0.4321 | 1.4256 | 0.9196 |
| glucaric acid | 1.2693 | 1.2744 | 2.9534 | 1.1533 | 1.6745 | 1.0981 | 0.9422 | 1.1311 | 0.1017 | 0.0495 | 0.4220 | 0.5526 | 1.0086 | 0.5398 | 1.1330 | 0.7498 | 0.6810 | 0.3656 | 0.4873 | 0.2428 | 0.2064 | 0.5286 | 0.4176 | 1.9548 | 0.4656 | 3.5576 | 0.7846 | 0.5310 | 1.3880 | 1.1435 | 16.2566 | 0.5202 | 0.8535 | 2.0360 | 2.9198 | 1.4194 | 1.3559 |
| Glyceraldehyde | 1.0838 | 0.9458 | 0.9068 | 1.1519 | 1.3079 | 1.1468 | 1.8025 | 1.6339 | 0.7985 | 0.7806 | 0.8802 | 1.0367 | 0.7880 | 0.9005 | 1.2465 | 0.8299 | 1.0518 | 1.1872 | 1.3489 | 0.9148 | 1.0062 | 0.9246 | 1.2718 | 0.8607 | 0.5629 | 0.8524 | 0.7710 | 1.1724 | 0.9609 | 0.6477 | 0.5277 | 1.1595 | 1.1701 | 1.1007 | 0.5767 | 1.1506 | 0.7942 |
| Glyceric acid | 0.4739 | 0.3911 | 0.4326 | 1.2402 | 0.5344 | 1.2158 | 0.3383 | 0.7649 | 0.2665 | 0.4906 | 0.4078 | 0.6613 | 0.7266 | 0.9208 | 0.9211 | 0.8602 | 0.6492 | 0.9482 | 0.8367 | 2.4837 | 0.7533 | 1.3039 | 1.7676 | 0.6165 | 0.2362 | 0.4801 | 0.3705 | 0.5282 | 2.2046 | 0.5943 | 0.8517 | 1.3746 | 1.0926 | 0.7561 | 1.2882 | 2.3607 | 1.8943 |
| Glycerol | 0.9706 | 1.2538 | 1.6746 | 1.0652 | 0.6378 | 0.9548 | 0.8294 | 0.8605 | 0.8942 | 0.8667 | 0.7907 | 1.0652 | 1.0252 | 1.1765 | 1.1822 | 1.2107 | 0.7858 | 0.7241 | 0.8620 | 1.1030 | 0.7794 | 0.9655 | 0.9669 | 2.1754 | 0.5316 | 0.7880 | 1.4489 | 0.7588 | 1.1915 | 0.7928 | 1.0130 | 0.7411 | 0.8554 | 0.8277 | 1.2996 | 0.9165 | 1.4813 |
| Glycerol 3-phosphate | 1.5532 | 0.6877 | 0.7801 | 0.9223 | 1.2505 | 0.6624 | 1.1800 | 1.2455 | 0.3409 | 0.3605 | 1.0102 | 1.0267 | 2.0316 | 0.8883 | 1.1366 | 1.0617 | 0.7800 | 0.9290 | 1.0652 | 0.6230 | 0.7855 | 0.7638 | 0.6441 | 1.7190 | 0.6727 | 0.7405 | 1.7966 | 1.1430 | 0.9549 | 0.2606 | 0.3949 | 1.1736 | 0.7992 | 2.3343 | 5.6302 | 1.1294 | 1.1386 |
| Glycerol monostearate | 0.2710 | 0.2038 | 0.5261 | 0.8586 | 0.4823 | 0.3103 | 0.3435 | 0.3641 | 1.5999 | 1.6267 | 0.8127 | 0.8902 | 0.8990 | 1.0722 | 0.7609 | 0.7477 | 1.0891 | 0.9088 | 0.8871 | 0.9007 | 1.0188 | 1.2065 | 1.4961 | 1.2558 | 0.5837 | 0.7431 | 0.7451 | 0.7566 | 1.0968 | 0.6099 | 0.8133 | 0.7963 | 0.6955 | 0.4445 | 4.6802 | 1.0872 | 0.9696 |
| Glycine | 1.0044 | 1.4778 | 1.0463 | 0.6217 | 1.0328 | 1.0914 | 0.8549 | 0.7149 | 0.9273 | 0.6367 | 0.8850 | 0.8737 | 0.9037 | 1.1528 | 0.6233 | 0.8478 | 0.9047 | 0.9358 | 0.7437 | 1.1077 | 0.9199 | 1.0860 | 1.2255 | 2.3214 | 0.3460 | 0.8054 | 0.4585 | 0.9458 | 1.2743 | 0.8146 | 1.0714 | 0.8946 | 0.6730 | 1.1662 | 1.2139 | 1.1418 | 0.9876 |
| Glycolic acid | 0.9756 | 1.1497 | 0.8819 | 0.8984 | 1.1230 | 0.8893 | 0.8437 | 0.8911 | 0.7044 | 0.7505 | 1.1004 | 1.0244 | 1.0242 | 1.0069 | 0.9699 | 1.0962 | 1.0530 | 1.1526 | 0.8183 | 1.4679 | 1.1961 | 1.1448 | 1.0280 | 0.9180 | 0.6620 | 0.8634 | 0.9294 | 1.1988 | 1.0302 | 0.6879 | 0.7328 | 1.0306 | 0.9518 | 1.3195 | 1.0273 | 1.0552 | 0.9965 |
| Iminodiacetic Acid | 0.9670 | 1.1988 | 0.7616 | 1.0049 | 0.9429 | 1.0788 | 0.8957 | 0.9385 | 0.7253 | 0.6703 | 0.9744 | 1.0230 | 0.9687 | 1.1084 | 1.0605 | 1.0301 | 1.1753 | 0.9940 | 0.9299 | 1.2149 | 1.0862 | 1.3066 | 1.2665 | 0.8520 | 0.6606 | 0.9207 | 0.7639 | 1.0667 | 1.2307 | 0.6952 | 0.8683 | 0.9978 | 0.8792 | 0.9534 | 1.1689 | 1.0616 | 1.0640 |
| L-5-Oxoproline | 1.1969 | 1.1814 | 0.6399 | 0.8207 | 0.9449 | 0.8978 | 0.9252 | 1.0087 | 0.5128 | 0.5091 | 0.8437 | 0.9739 | 1.0626 | 1.1092 | 1.0264 | 1.0148 | 1.0293 | 0.9776 | 0.7432 | 1.1057 | 0.9197 | 1.0885 | 0.7920 | 1.7806 | 0.4205 | 1.3757 | 1.0472 | 1.2383 | 1.3471 | 0.5354 | 0.5880 | 1.0645 | 0.7244 | 0.7992 | 1.0992 | 1.1012 | 0.9711 |
| L-Alanine | 1.0740 | 1.0624 | 0.9321 | 0.8106 | 1.1414 | 0.9212 | 0.9631 | 0.9404 | 1.0430 | 1.0467 | 1.0361 | 0.9878 | 0.9197 | 1.0126 | 0.9174 | 0.9143 | 0.9169 | 1.0192 | 0.9929 | 1.0027 | 0.9070 | 0.9348 | 1.0654 | 1.1481 | 0.8690 | 0.9607 | 1.0033 | 1.1271 | 1.0470 | 1.0243 | 0.9556 | 1.0520 | 0.8662 | 1.1358 | 1.0080 | 1.0184 | 0.9978 |
| L-Cysteine | 2.2252 | 1.8898 | 1.1825 | 1.0004 | 1.8770 | 1.0296 | 0.7062 | 1.6272 | 0.7548 | 0.6817 | 0.9017 | 0.7729 | 1.0055 | 1.1114 | 1.1368 | 1.2518 | 0.8251 | 1.0097 | 0.7054 | 0.9328 | 0.9905 | 1.1252 | 0.7224 | 0.8471 | 0.3101 | 0.6069 | 0.7945 | 0.4480 | 2.9363 | 0.3973 | 0.6463 | 0.8126 | 0.6020 | 0.7012 | 1.7212 | 0.8558 | 0.9506 |
| Linoleic acid | 1.1287 | 1.5538 | 1.5667 | 1.3322 | 0.6175 | 1.2303 | 1.1776 | 1.2927 | 0.3081 | 0.3514 | 1.0629 | 1.0821 | 1.2656 | 1.1831 | 1.3062 | 1.4486 | 0.9397 | 0.8077 | 1.2195 | 1.4561 | 0.9461 | 1.0049 | 1.1308 | 1.3238 | 0.6461 | 0.8345 | 1.6493 | 0.8678 | 1.2045 | 0.5099 | 0.3992 | 0.9712 | 0.8501 | 1.1888 | 1.0206 | 1.1427 | 1.3751 |
| L-Lactic acid | 1.0078 | 0.8368 | 0.8090 | 0.7325 | 0.8991 | 0.7736 | 1.0713 | 0.8646 | 0.6013 | 0.5666 | 0.9883 | 1.0542 | 0.9230 | 1.1028 | 1.0456 | 1.2140 | 1.2449 | 1.2173 | 1.0790 | 1.3338 | 1.2241 | 1.0648 | 1.1977 | 0.9586 | 0.3440 | 0.8885 | 1.1779 | 1.0980 | 1.0454 | 0.3179 | 0.7262 | 1.0216 | 0.9643 | 0.8545 | 0.9336 | 1.0740 | 1.0448 |
| L-Threonine | 1.3475 | 1.1172 | 0.9910 | 1.3923 | 1.4746 | 0.8176 | 0.9477 | 0.8520 | 0.8064 | 0.7240 | 1.2723 | 0.9704 | 0.7797 | 1.2176 | 0.7682 | 0.6795 | 1.0093 | 1.0933 | 0.9675 | 1.5469 | 1.0858 | 1.0173 | 1.2377 | 1.2593 | 0.2809 | 0.7959 | 0.4451 | 0.8436 | 0.7892 | 0.6508 | 1.6078 | 0.9669 | 0.7134 | 1.2992 | 0.4391 | 1.2130 | 0.9799 |
| L-Valine | 1.0970 | 0.9018 | 0.9835 | 1.1322 | 1.4116 | 0.9883 | 1.4160 | 1.1734 | 0.7521 | 0.7623 | 0.9809 | 0.9808 | 0.7336 | 1.0567 | 1.0565 | 0.9053 | 1.0341 | 1.1681 | 1.2148 | 1.2300 | 1.0891 | 0.9898 | 1.3797 | 0.8413 | 0.7359 | 0.9380 | 0.7788 | 1.2927 | 1.0461 | 0.6841 | 0.7606 | 1.1887 | 0.9567 | 1.0487 | 0.7729 | 1.0642 | 0.8577 |
| Malic acid | 1.0518 | 0.7169 | 1.5050 | 0.8166 | 0.9244 | 0.7970 | 0.8847 | 1.3267 | 0.3588 | 0.3421 | 0.7145 | 0.7838 | 0.8342 | 0.9329 | 1.0537 | 0.8158 | 0.9829 | 0.8719 | 0.9729 | 1.2376 | 0.9256 | 0.9648 | 0.9002 | 4.4255 | 0.2269 | 0.5579 | 1.0950 | 0.7477 | 1.3071 | 0.2372 | 0.2982 | 0.8724 | 1.0270 | 0.6243 | 0.7418 | 1.0463 | 0.9996 |
| m-Cresol | 1.3000 | 1.0486 | 0.8179 | 0.5661 | 1.3061 | 0.8979 | 1.5692 | 1.0791 | 1.1385 | 0.9127 | 0.9154 | 0.9731 | 1.0506 | 1.0066 | 1.0231 | 0.6651 | 0.7041 | 0.8050 | 0.6494 | 0.6311 | 0.7515 | 1.7710 | 0.8106 | 0.7902 | 0.7684 | 0.9182 | 0.6734 | 0.9050 | 1.5793 | 0.4548 | 0.9264 | 0.8523 | 0.8715 | 0.6423 | 6.1408 | 1.0179 | 0.8968 |
| Methyl stearate | 0.7517 | 0.2328 | 0.2063 | 0.8632 | 0.6756 | 0.2957 | 0.5141 | 0.4732 | 0.4167 | 0.4497 | 1.7648 | 1.1953 | 1.5889 | 0.8842 | 1.5600 | 0.8868 | 1.0475 | 0.9141 | 1.4965 | 0.4817 | 0.9301 | 0.6628 | 0.4824 | 2.0176 | 0.9928 | 0.8125 | 1.1194 | 1.0704 | 0.6597 | 0.3806 | 0.6249 | 1.0797 | 0.9478 | 2.9206 | 7.0515 | 1.1076 | 0.8409 |
| Monosaccharides 10 | 0.2221 | 0.0795 | 0.4449 | 0.9930 | 0.0259 | 0.0158 | 0.0112 | 0.0515 | 0.0541 | 0.0370 | 0.0086 | 0.3597 | 0.1925 | 0.0909 | 0.0125 | 0.0141 | 0.0296 | 0.0246 | 0.0187 | 0.0290 | 0.0126 | 0.2897 | 0.0120 | 0.6254 | 0.1196 | 5.8812 | 10.9650 | 0.0450 | 8.0840 | 0.0510 | 6.7472 | 0.5452 | 2.8981 | 0.0618 | 1.2834 | 1.1570 | 1.2666 |
| Monosaccharides 4 | 1.2534 | 0.7759 | 1.1538 | 0.9175 | 1.6687 | 0.9557 | 1.4585 | 1.1309 | 0.7185 | 0.8356 | 0.9797 | 0.9922 | 0.9666 | 0.9322 | 1.2890 | 1.4223 | 1.3427 | 1.2944 | 0.9854 | 0.7055 | 1.1666 | 1.1407 | 1.0827 | 0.7250 | 0.6026 | 0.9467 | 0.3989 | 0.4349 | 0.7322 | 0.3125 | 0.4577 | 1.0652 | 1.0231 | 0.8860 | 0.4665 | 1.1574 | 0.6192 |
| Monosaccharides 5 | 1.5657 | 0.4446 | 1.8402 | 1.7009 | 2.0122 | 1.4659 | 1.0269 | 0.8841 | 0.5123 | 0.4868 | 0.8449 | 0.9558 | 1.1041 | 0.4861 | 1.4537 | 0.5300 | 1.2444 | 0.5637 | 0.9236 | 0.2557 | 0.4755 | 0.5097 | 0.3169 | 1.6095 | 2.1743 | 1.1827 | 1.1437 | 0.8943 | 0.7104 | 3.2560 | 0.8040 | 1.0786 | 1.6512 | 2.8634 | 1.5000 | 1.3826 | 1.1946 |
| Monosaccharides 6 | 1.1298 | 0.3267 | 1.2511 | 1.8979 | 1.2579 | 1.1625 | 0.7143 | 0.6342 | 0.5382 | 0.5267 | 0.9210 | 0.9731 | 1.0176 | 0.6152 | 1.5150 | 0.5813 | 1.3409 | 0.6546 | 1.0197 | 0.3874 | 0.5607 | 0.6132 | 0.4357 | 1.5593 | 1.7340 | 1.2070 | 1.1374 | 0.9306 | 0.6973 | 2.6545 | 0.7378 | 1.1143 | 1.6527 | 2.7153 | 1.4831 | 1.3518 | 1.2577 |
| Monosaccharides 7 | 0.8115 | 0.6942 | 1.3161 | 2.3674 | 0.9159 | 2.0223 | 0.6553 | 0.8027 | 0.4294 | 0.4014 | 0.7089 | 0.8640 | 0.7045 | 0.6686 | 1.2964 | 0.8001 | 0.9171 | 0.7465 | 1.2289 | 0.5321 | 0.5886 | 0.8256 | 0.8845 | 1.2762 | 1.8757 | 1.4771 | 0.7539 | 0.8364 | 0.7861 | 3.4301 | 1.0263 | 1.1930 | 2.0640 | 2.5174 | 1.2692 | 1.4176 | 1.2125 |
| Monosaccharides 8 | 1.0877 | 1.0792 | 1.1673 | 1.0704 | 1.1868 | 1.1295 | 1.0495 | 1.0607 | 1.0163 | 1.0039 | 0.9691 | 0.9575 | 0.9508 | 0.9458 | 1.0404 | 0.9373 | 1.0002 | 0.9199 | 1.0112 | 0.8091 | 0.9144 | 0.9589 | 1.0141 | 1.0121 | 1.1831 | 1.0221 | 1.0215 | 1.0305 | 0.9014 | 1.5172 | 0.9978 | 1.0407 | 1.1121 | 1.1317 | 1.0493 | 0.9872 | 1.0283 |
| Monosaccharides 9 | 1.1241 | 1.1521 | 2.3245 | 1.6025 | 1.5933 | 1.5836 | 1.2175 | 1.2077 | 0.7708 | 0.7100 | 0.8353 | 0.8281 | 0.9339 | 0.7924 | 1.2404 | 0.7439 | 1.0752 | 0.7784 | 1.0071 | 0.5952 | 0.6832 | 0.9263 | 0.9593 | 1.2501 | 1.0938 | 1.1551 | 0.8793 | 0.8331 | 0.7808 | 2.7622 | 0.8481 | 1.0002 | 1.4210 | 1.6581 | 1.2040 | 1.1943 | 1.0454 |
| Monostearin | 0.2728 | 0.2047 | 0.5258 | 0.8583 | 0.4820 | 0.3118 | 0.3454 | 0.3666 | 1.5996 | 1.6268 | 0.8121 | 0.8907 | 0.8981 | 1.0706 | 0.7608 | 0.7479 | 1.0891 | 0.9088 | 0.8865 | 0.8995 | 1.0196 | 1.2057 | 1.4945 | 1.2558 | 0.5837 | 0.7433 | 0.7446 | 0.7561 | 1.0959 | 0.6100 | 0.8137 | 0.7964 | 0.6961 | 0.4443 | 4.6791 | 1.0876 | 0.9706 |
| Myo-Inositol | 1.0444 | 0.8192 | 1.5189 | 0.9503 | 0.7332 | 0.8267 | 0.5920 | 0.7321 | 0.4048 | 0.4023 | 0.5447 | 0.5987 | 1.2537 | 1.4909 | 0.8017 | 0.9739 | 0.5591 | 0.7389 | 0.7309 | 0.8720 | 0.6512 | 2.0376 | 0.8960 | 0.7191 | 0.4158 | 0.5123 | 0.3136 | 0.4175 | 2.9211 | 0.4722 | 2.1330 | 0.8425 | 0.7670 | 1.2600 | 3.8565 | 1.5154 | 2.0310 |
| Myristic acid | 1.5110 | 1.5491 | 1.6712 | 1.2683 | 0.7686 | 1.1597 | 1.2722 | 1.2301 | 0.5883 | 0.5840 | 1.0018 | 1.1249 | 1.0814 | 1.1098 | 1.1398 | 1.2832 | 0.9244 | 0.8363 | 0.8320 | 0.9538 | 0.9278 | 0.9295 | 1.1244 | 1.2448 | 0.6624 | 0.9767 | 1.7875 | 0.7954 | 1.2055 | 0.5070 | 0.7770 | 0.8353 | 0.8596 | 1.4298 | 0.9548 | 1.0928 | 1.0999 |
| N-(2-Acetamido)iminodiacetic acid | 0.8617 | 0.9945 | 0.8977 | 1.3158 | 0.8628 | 1.0033 | 1.0923 | 0.8800 | 0.7003 | 0.6726 | 0.9142 | 1.1535 | 0.8897 | 1.2009 | 1.3144 | 1.0890 | 1.1449 | 0.9936 | 1.0701 | 0.9334 | 0.9071 | 1.3319 | 1.3130 | 0.9776 | 0.7082 | 0.9849 | 0.7029 | 0.7832 | 1.1624 | 0.7559 | 0.8563 | 0.9285 | 0.9346 | 1.1473 | 1.2141 | 1.0307 | 0.9347 |
| Octanoic acid | 1.0276 | 1.5399 | 0.5932 | 0.7936 | 1.1712 | 0.6616 | 0.9245 | 0.7508 | 0.7473 | 0.8303 | 0.8109 | 0.8113 | 0.7671 | 0.6642 | 0.6938 | 0.6070 | 0.6960 | 0.7075 | 0.6096 | 0.6531 | 0.7068 | 0.6059 | 0.8340 | 2.5368 | 0.9988 | 1.0100 | 0.7603 | 0.8397 | 0.6795 | 0.6199 | 2.7504 | 0.7565 | 1.5094 | 1.5019 | 1.1086 | 0.7802 | 3.6763 |
| Oleic acid | 0.9117 | 1.5947 | 3.2106 | 1.5620 | 0.4243 | 1.0330 | 0.8634 | 1.5940 | 0.3026 | 0.2260 | 0.8385 | 1.1648 | 1.3192 | 1.2512 | 1.4080 | 1.1932 | 0.8012 | 0.8224 | 1.2019 | 1.2258 | 0.8561 | 1.0635 | 0.9400 | 1.5617 | 0.4608 | 1.0825 | 1.5132 | 0.5161 | 1.3781 | 0.4467 | 0.3762 | 0.8672 | 0.7916 | 1.0550 | 1.0216 | 1.2017 | 1.2976 |
| Palmitic acid | 1.0799 | 1.0845 | 1.7311 | 1.2958 | 0.7510 | 1.0313 | 1.0932 | 1.3997 | 0.5779 | 0.5670 | 1.0917 | 1.1098 | 1.1981 | 1.0694 | 1.2281 | 1.2053 | 0.8983 | 0.9214 | 1.0184 | 1.1826 | 0.9646 | 0.9815 | 1.2137 | 1.2266 | 0.6757 | 0.9196 | 1.4167 | 1.1011 | 1.1061 | 0.4306 | 0.7236 | 0.9403 | 0.9399 | 1.1796 | 1.0027 | 1.0981 | 1.2045 |
| Palmitoleic acid | 0.9555 | 1.7166 | 2.6987 | 1.1427 | 0.2019 | 1.7358 | 0.7672 | 1.4464 | 0.2866 | 0.2575 | 0.8716 | 1.2704 | 1.0281 | 1.5252 | 0.8611 | 1.6462 | 0.8244 | 0.6737 | 1.0679 | 1.2324 | 0.8155 | 0.9734 | 0.7789 | 1.0736 | 0.9153 | 1.5186 | 2.1577 | 0.5633 | 1.6202 | 0.9425 | 0.4685 | 0.8097 | 0.8290 | 1.0510 | 0.4402 | 1.1982 | 1.1545 |
| Phosphoric acid | 1.0717 | 0.9978 | 0.7963 | 0.6025 | 0.5557 | 1.0505 | 1.0951 | 1.0017 | 2.5350 | 2.9904 | 0.7443 | 0.7830 | 0.6132 | 0.9280 | 0.8209 | 0.8373 | 0.8308 | 0.8153 | 0.9004 | 0.9650 | 0.7136 | 0.8746 | 0.8822 | 0.8173 | 0.5565 | 0.7145 | 0.7471 | 0.6376 | 0.9885 | 0.8095 | 0.9618 | 0.7113 | 0.6744 | 0.7663 | 0.6472 | 0.6218 | 0.7771 |
| Pyruvic Acid | 1.0403 | 0.7312 | 0.8403 | 0.8912 | 1.1312 | 0.8524 | 0.7556 | 0.8063 | 0.6449 | 0.5655 | 0.9902 | 1.1156 | 0.8033 | 1.2593 | 0.9983 | 1.0809 | 1.0462 | 1.0888 | 1.1186 | 1.0419 | 1.3025 | 0.9479 | 1.2340 | 1.0300 | 0.4781 | 0.9182 | 1.2051 | 1.0725 | 1.0546 | 0.5001 | 1.1088 | 0.9540 | 1.1261 | 0.8790 | 0.5067 | 1.2647 | 0.8993 |
| (R)-3-Hydroxybutyric acid | 0.6888 | 0.5470 | 1.0314 | 1.7839 | 0.5001 | 1.2144 | 0.5330 | 2.2031 | 0.4020 | 0.3885 | 0.7181 | 0.9208 | 0.6050 | 1.0678 | 1.7028 | 1.0532 | 0.5859 | 0.9559 | 0.8054 | 1.3970 | 1.4387 | 0.9025 | 1.6041 | 0.9544 | 0.2630 | 1.2358 | 0.5090 | 1.3130 | 2.4170 | 0.6508 | 0.6287 | 0.8296 | 1.4310 | 0.6126 | 0.4027 | 1.7491 | 0.6834 |
| Stearic acid | 1.0429 | 0.9154 | 1.1754 | 1.2707 | 1.0036 | 0.8668 | 1.0212 | 1.3035 | 0.7161 | 0.7061 | 1.2187 | 1.0412 | 1.2515 | 1.0133 | 1.2623 | 0.9311 | 0.9331 | 0.9865 | 1.0386 | 1.0835 | 1.0005 | 0.9710 | 1.2006 | 1.1960 | 0.6222 | 0.9145 | 1.0176 | 1.2413 | 1.0527 | 0.4575 | 0.8757 | 1.0036 | 0.9525 | 1.1227 | 1.2829 | 1.0522 | 1.0924 |
| Thioglycolic acid | 1.0702 | 1.0707 | 0.9270 | 0.6580 | 0.5679 | 1.0533 | 1.0933 | 1.0184 | 2.2038 | 2.4288 | 0.7655 | 0.8424 | 0.6909 | 0.9843 | 0.8860 | 0.9230 | 0.8569 | 0.8249 | 0.8975 | 1.0085 | 0.7339 | 0.9159 | 0.9026 | 1.0418 | 0.6044 | 0.7568 | 0.8548 | 0.6606 | 1.0396 | 0.8645 | 1.0005 | 0.7295 | 0.7127 | 0.7916 | 0.7399 | 0.6738 | 0.8917 |
| Unknown 3 | 0.8897 | 1.1652 | 0.7631 | 1.3298 | 0.8773 | 0.6876 | 1.2666 | 0.7888 | 0.5555 | 0.5064 | 0.7419 | 1.2965 | 0.9563 | 1.1535 | 1.3499 | 1.1326 | 1.2008 | 1.0021 | 0.8669 | 0.7652 | 0.8383 | 1.3721 | 1.3724 | 1.0212 | 0.4711 | 1.1554 | 0.6821 | 0.8544 | 1.1794 | 0.6001 | 0.8565 | 0.8509 | 0.9595 | 0.8229 | 1.5410 | 1.0761 | 0.9821 |
| Vaccenic acid | 1.0840 | 1.8871 | 4.0028 | 1.6476 | 0.3236 | 1.1427 | 0.9073 | 1.4935 | 0.2775 | 0.2642 | 0.7032 | 1.1199 | 1.2806 | 1.1915 | 1.3529 | 1.9599 | 0.7118 | 0.7084 | 0.8920 | 1.1396 | 0.7714 | 1.0735 | 1.1459 | 1.5431 | 0.5477 | 0.8440 | 1.5891 | 0.9023 | 1.3364 | 0.4481 | 0.3588 | 0.7756 | 0.7367 | 0.7738 | 0.8278 | 1.2136 | 1.8666 |
| Valeramide | 0.9321 | 0.9968 | 0.8928 | 0.9190 | 1.0282 | 0.8482 | 0.9572 | 0.9784 | 1.4006 | 1.2758 | 0.9996 | 1.0006 | 1.0191 | 0.9498 | 1.0080 | 0.9774 | 0.9763 | 1.0101 | 1.0337 | 0.9539 | 0.9426 | 0.9185 | 0.9573 | 0.9205 | 0.8278 | 0.9111 | 0.8864 | 0.9465 | 1.1208 | 0.8540 | 1.0350 | 0.8903 | 0.9082 | 0.9819 | 0.9863 | 0.9310 | 0.9560 |
| Xanthotoxin | 1.0466 | 0.9554 | 1.1908 | 1.2950 | 0.9743 | 0.9050 | 1.0170 | 1.3018 | 0.7040 | 0.6994 | 1.2078 | 1.0446 | 1.2486 | 1.0275 | 1.2877 | 0.9756 | 0.9199 | 0.9828 | 0.9731 | 1.0280 | 0.9932 | 0.9799 | 1.2123 | 1.2189 | 0.6280 | 0.9152 | 1.0272 | 1.2518 | 1.0424 | 0.4862 | 0.8597 | 1.0014 | 0.9468 | 1.1546 | 1.2645 | 1.0571 | 1.0766 |
Factors:
| F1 | Label:AM | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0 |
| F2 | Label:AM | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0 |
| F3 | Label:AM | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:0 |
| F4 | Label:AM | Gender:0 | HTA:1 | Obesity:2 | Dyspnoea:0 |
| F5 | Label:AM | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0 |
| F6 | Label:AM | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1 |
| F7 | Label:AM | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:0 |
| F8 | Label:AM | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0 |
| F9 | Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA |
| F10 | Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA |
| F11 | Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0 |
| F12 | Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1 |
| F13 | Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0 |
| F14 | Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1 |
| F15 | Label:Moderate | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:0 |
| F16 | Label:Moderate | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:1 |
| F17 | Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0 |
| F18 | Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1 |
| F19 | Label:Moderate | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:0 |
| F20 | Label:Moderate | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1 |
| F21 | Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0 |
| F22 | Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1 |
| F23 | Label:Moderate | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1 |
| F24 | Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA |
| F25 | Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0 |
| F26 | Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1 |
| F27 | Label:Severe | Gender:0 | HTA:0 | Obesity:1 | Dyspnoea:1 |
| F28 | Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0 |
| F29 | Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1 |
| F30 | Label:Severe | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:0 |
| F31 | Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0 |
| F32 | Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1 |
| F33 | Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1 |
| F34 | Label:Severe | Gender:1 | HTA:0 | Obesity:2 | Dyspnoea:0 |
| F35 | Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0 |
| F36 | Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1 |
| F37 | Label:Severe | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1 |