Data for (Study ST003786)
(Analysis AN006221)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 | F38 | F39 | F40 | F41 | F42 | F43 | F44 | F45 | F46 | F47 | F48 | F49 | F50 | F51 | F52 | F53 | F54 | F55 | F56 | F57 | F58 | F59 | F60 | F61 | F62 | F63 | F64 | F65 | F66 | F67 | F68 | F69 | F70 | F71 | F72 | F73 | F74 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 10-Pentadecenoic acid | 0.3825 | 0.4241 | 1.5048 | 1.0579 | 0.2758 | 0.4949 | 1.0407 | 0.8436 | 0.4283 | 0.4904 | 0.7589 | 0.7224 | 1.1902 | 0.7339 | 0.5054 | 2.2544 | 1.2481 | 0.8312 | 1.0262 | 3.0486 | 0.9786 | 0.8309 | 0.6019 | 2.5440 | 0.8873 | 1.0160 | 1.9265 | 1.2936 | 0.8562 | 1.4747 | 1.2194 | 1.2676 | 3.2650 | 1.6664 | 1.7309 | 1.0742 | 1.0943 | 0.8942 | 1.4135 | 1.1724 | 1.2547 | 1.1242 | 1.6130 | 1.4997 | 1.1429 | 0.8665 | 1.1694 | 1.3957 | NA | 0.2577 | 0.2652 | 0.2860 | 0.3843 | 0.3514 | 0.2607 | 0.3204 | 0.3113 | 0.3776 | 0.1835 | 0.2182 | 1.1103 | 1.1103 | 1.1103 | 1.1103 | 1.1730 | 1.1212 | 1.2469 | 1.1474 | 1.2028 | 0.3924 | 0.4678 | 0.5931 | 0.6763 | 0.7854 |
| 10Z-Heptadecenoic acid | 0.2264 | 0.2116 | 0.2836 | 0.3925 | 0.2207 | 0.3059 | 0.2672 | 0.2632 | 0.1547 | 0.2528 | 0.1925 | 0.3823 | 1.4472 | 1.0718 | 0.4386 | 0.9950 | 1.5088 | 1.5116 | 0.7250 | 0.7538 | 1.3632 | 1.1385 | 0.4968 | 0.7279 | 1.7749 | 2.5768 | 1.7484 | 1.7816 | 1.9497 | 3.5110 | 0.7949 | 1.5090 | 0.9829 | 3.9593 | 1.4180 | 1.3071 | 2.3162 | 2.9907 | 0.8260 | 0.5290 | 2.4383 | 3.0216 | 0.9768 | 0.6656 | 2.8820 | 2.1283 | 0.6525 | 0.6294 | 0.0153 | 0.1219 | 0.1451 | 0.1261 | 0.1119 | 0.1180 | 0.0841 | 0.1004 | 0.1507 | 0.1174 | 0.1028 | 0.0653 | 1.1512 | 1.1512 | 1.1512 | 1.1512 | 1.1438 | 1.1799 | 1.1793 | 1.2284 | 1.1461 | 0.3896 | 0.5047 | 0.7329 | 0.8647 | 1.0651 |
| 11-Methyllauric acid | 0.3523 | 0.3840 | 0.4333 | 0.4243 | 0.3604 | 0.4329 | 0.2967 | 0.3527 | 0.3912 | 0.3857 | 0.3886 | 0.4149 | 0.9992 | 0.7893 | 1.4325 | 1.1258 | 1.0949 | 0.9019 | 2.1646 | 1.1727 | 0.9936 | 0.7740 | 1.7658 | 1.2017 | 0.6014 | 0.8076 | 3.0358 | 1.9230 | 0.6040 | 1.0008 | 2.0212 | 1.8555 | 5.7346 | 1.0330 | 2.9277 | 1.7502 | 1.4266 | 1.3847 | 1.3483 | 0.9562 | 1.6955 | 1.6238 | 1.5852 | 1.0460 | 1.6773 | 1.2845 | 1.2148 | 0.9127 | 0.0278 | 0.3048 | 0.3131 | 0.2731 | 0.2999 | 0.3005 | 0.2242 | 0.2776 | 0.2592 | 0.2716 | 0.2828 | 0.2083 | 1.0419 | 1.0419 | 1.0419 | 1.0419 | 1.0691 | 1.0823 | 1.0467 | 1.0358 | 0.8953 | 0.4097 | 0.5063 | 0.6391 | 0.7628 | 0.8588 |
| 12,13-DiHOME | 0.4521 | 0.3498 | 0.3423 | 0.4745 | 0.3322 | 0.3902 | 0.3320 | 0.3928 | 0.3382 | 0.3719 | 0.3822 | 0.4894 | 2.3446 | 1.7779 | 1.6496 | 1.7837 | 2.3088 | 1.6633 | 2.3139 | 1.6787 | 2.1640 | 1.7598 | 1.7173 | 1.6573 | 1.4731 | 2.1246 | 1.3219 | 2.2185 | 1.3443 | 2.3637 | 0.9953 | 2.1742 | 1.5287 | 2.4704 | 1.1914 | 2.1191 | 0.7751 | 0.6471 | 0.8290 | 0.5718 | 0.8090 | 0.7290 | 0.7544 | 0.6121 | 0.8080 | 0.6768 | 0.7510 | 0.5796 | 0.1111 | 0.2297 | 0.2213 | 0.2222 | 0.2193 | 0.2171 | 0.1919 | 0.2290 | 0.2081 | 0.2120 | 0.2299 | 0.1881 | 1.2293 | 1.2293 | 1.2293 | 1.2293 | 1.2081 | 1.2475 | 1.2161 | 1.2108 | 1.0318 | 0.3736 | 0.5092 | 0.7211 | 0.8224 | 0.9281 |
| 13-HODE | 0.3005 | 0.1098 | 0.0895 | 0.1579 | 0.0928 | 0.1241 | 0.1091 | 0.1633 | 0.1005 | 0.1277 | 0.0795 | 0.1501 | 4.6459 | 3.1320 | 1.0800 | 1.3441 | 4.7173 | 3.2687 | 1.6611 | 1.2495 | 4.1537 | 3.3987 | 1.1428 | 1.1775 | 2.0818 | 3.2583 | 0.5065 | 0.6937 | 1.9354 | 3.7529 | 0.3260 | 0.5889 | 4.2095 | 4.5642 | 0.4061 | 0.5118 | 0.4857 | 0.3845 | 0.1919 | 0.1416 | 0.5529 | 0.4494 | 0.2204 | 0.1541 | 0.5440 | 0.4033 | 0.1885 | 0.1291 | 0.1770 | 0.0594 | 0.0619 | 0.0525 | 0.0509 | 0.0459 | 0.0415 | 0.0482 | 0.0450 | 0.0584 | 0.0465 | 0.0337 | 1.2291 | 1.2291 | 1.2291 | 1.2291 | 1.2166 | 1.2525 | 1.2264 | 1.2173 | 1.0586 | 0.2870 | 0.4085 | 0.6665 | 0.8218 | 0.9503 |
| 13-HpODE | 0.7288 | 0.8174 | 0.7739 | 0.6541 | 0.6889 | 0.7419 | 0.6418 | 0.6141 | 0.7015 | 0.7253 | 0.7126 | 0.7818 | 1.0958 | 1.1638 | 0.9732 | 0.8842 | 1.1690 | 1.0938 | 1.0310 | 0.7775 | 1.2837 | 1.2156 | 1.0685 | 0.9570 | 1.4114 | 1.6376 | 1.2599 | 1.4932 | 1.3078 | 2.1600 | 0.9685 | 1.2311 | 1.8543 | 1.9413 | 1.0776 | 1.1899 | 1.4217 | 1.2465 | 1.0495 | 0.9183 | 1.5174 | 1.4751 | 1.1053 | 1.0930 | 1.5237 | 1.3798 | 1.1322 | 0.9214 | 0.1412 | 0.6553 | 0.7533 | 0.7518 | 0.7371 | 0.6304 | 0.5398 | 0.7553 | 0.6023 | 0.5445 | 0.6399 | 0.6110 | 1.0053 | 1.0053 | 1.0053 | 1.0053 | 0.9534 | 1.2255 | 1.0495 | 0.9289 | 0.8925 | 0.7138 | 0.6039 | 0.8285 | 0.9333 | 0.8759 |
| 14-Pentadecenoic acid | 0.7760 | 0.5921 | 0.7298 | 0.7724 | 0.5565 | 0.8693 | 1.4983 | 0.7533 | 0.9945 | 1.0091 | 0.5969 | 1.0040 | 1.6702 | 1.3062 | 0.7525 | 1.3383 | 1.4582 | 1.1669 | 1.4707 | 0.9893 | 1.3212 | 1.4309 | 1.0138 | 0.8890 | 1.0186 | 0.7300 | 0.9246 | 0.9765 | 0.8879 | 0.8658 | 0.8536 | 1.1532 | 1.0548 | 1.2416 | 0.9279 | 0.7273 | 1.3455 | 1.1998 | 1.1974 | 0.6947 | 1.5967 | 1.3129 | 1.1738 | 0.8265 | 1.0316 | 1.1724 | 1.1103 | 0.7213 | NA | 0.8779 | 0.7419 | 0.7522 | 0.8086 | 0.7865 | 0.6308 | 0.6866 | 0.8727 | 1.0957 | 0.5068 | 0.5314 | 1.1739 | 1.1739 | 1.1739 | 1.1739 | 1.1383 | 1.2427 | 1.1307 | 1.1634 | 1.3833 | 0.7264 | 0.7627 | 0.8241 | 0.9150 | 1.0222 |
| 15R-15-methyl PGA2 [iSTD] | 0.9658 | 0.9628 | 1.0232 | 0.9721 | 0.9663 | 0.7871 | 1.1617 | 1.0236 | 1.1328 | 0.9798 | 0.9998 | 1.0648 | 0.9905 | 1.0010 | 1.0619 | 1.0026 | 0.9325 | 1.0456 | 0.9465 | 1.0835 | 1.0242 | 1.0480 | 1.0710 | 0.9715 | 0.9322 | 0.9386 | 0.9600 | 0.9096 | 0.9431 | 0.9735 | 0.8756 | 0.8254 | 1.0050 | 0.9249 | 0.9655 | 0.9071 | 0.9680 | 1.0501 | 0.9899 | 1.0976 | 1.0560 | 0.9974 | 0.9756 | 1.0309 | 1.0129 | 1.0955 | 0.8994 | 1.0259 | 0.9717 | 0.8672 | 1.0155 | 1.0764 | 0.8541 | 0.9586 | 1.0862 | 1.0251 | 0.9189 | 0.8832 | 1.0538 | 1.0531 | 0.9902 | 0.9902 | 0.9902 | 0.9902 | 1.0126 | 0.9690 | 1.0124 | 0.9850 | 1.0427 | 1.2601 | 1.2052 | 1.1186 | 1.0511 | 1.0401 |
| 15S-15-methyl PGE1 [iSTD] | 1.0307 | 1.0116 | 1.0252 | 0.9739 | 1.0167 | 0.9747 | 1.1438 | 1.0474 | 1.1621 | 0.9803 | 1.0671 | 1.0456 | 0.9585 | 0.9486 | 1.0008 | 1.0100 | 0.9236 | 0.9906 | 0.9404 | 1.1022 | 0.9695 | 1.0015 | 0.9840 | 0.9652 | 0.9685 | 0.9660 | 0.9602 | 1.0077 | 0.9401 | 0.9706 | 1.0324 | 1.0519 | 0.9386 | 0.9776 | 1.0084 | 1.0322 | 0.9326 | 1.0359 | 1.0026 | 1.1002 | 0.9821 | 0.9358 | 0.9672 | 0.9896 | 0.9794 | 1.0413 | 0.9055 | 0.9838 | 0.9347 | 1.0164 | 0.9636 | 1.0069 | 1.0091 | 0.9741 | 1.0756 | 0.9797 | 1.0698 | 1.0029 | 1.0133 | 1.0460 | 0.9400 | 0.9400 | 0.9400 | 0.9400 | 0.9366 | 0.9441 | 0.9576 | 0.9365 | 1.0145 | 1.1750 | 1.1386 | 1.0623 | 1.0119 | 0.9865 |
| 15S-15-methyl PGE2 [iSTD] | 1.0202 | 0.9835 | 1.0157 | 0.9708 | 1.0280 | 0.9772 | 1.1615 | 1.0533 | 1.1392 | 0.9562 | 1.0480 | 1.0585 | 0.9841 | 0.9615 | 1.0065 | 0.9837 | 0.9138 | 0.9861 | 0.9413 | 1.0987 | 0.9871 | 1.0106 | 0.9981 | 0.9793 | 0.9414 | 0.9901 | 0.9699 | 0.9985 | 0.9896 | 0.9878 | 1.0506 | 1.0274 | 0.8671 | 0.9827 | 1.0236 | 1.0266 | 0.9338 | 1.0005 | 0.9963 | 1.0926 | 0.9864 | 0.9404 | 0.9526 | 0.9849 | 0.9881 | 1.0432 | 0.8903 | 1.0216 | 0.9363 | 1.0448 | 0.9934 | 0.9656 | 0.9967 | 0.9760 | 1.0295 | 0.9807 | 1.0488 | 1.0412 | 1.0179 | 0.9848 | 0.9547 | 0.9547 | 0.9547 | 0.9547 | 0.9469 | 0.9449 | 0.9319 | 0.9513 | 1.0032 | 1.2152 | 1.1740 | 1.0456 | 1.0248 | 0.9790 |
| 20-Carboxy-LTB4 | 0.0763 | 0.0632 | 0.0383 | 0.0501 | 0.0576 | 0.0835 | 0.0497 | 0.0670 | 0.0649 | 0.0662 | 0.0470 | 0.0472 | 1.1650 | 0.7209 | 0.7872 | 0.7917 | 1.0541 | 0.6091 | 1.2109 | 0.7242 | 1.3754 | 0.7588 | 0.9361 | 0.8219 | 0.8830 | 1.3188 | 0.8766 | 1.7209 | 0.7972 | 1.8695 | 0.6820 | 1.7009 | 0.6756 | 1.6723 | 0.8028 | 1.6210 | 2.6719 | 2.3255 | 2.8005 | 2.5066 | 3.1166 | 2.4656 | 2.3666 | 2.2441 | 2.5149 | 2.5599 | 2.4748 | 2.2668 | 0.0019 | 0.0004 | 0.0001 | NA | 0.0007 | 0.0002 | NA | NA | 0.0042 | NA | 0.0001 | 0.0002 | 1.1961 | 1.1961 | 1.1961 | 1.1961 | 1.1925 | 1.0983 | 1.1736 | 1.1972 | 0.9302 | 0.2601 | 0.4464 | 0.7302 | 0.7307 | 0.8478 |
| 20-Hydroxy-LTB4 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.4638 | 0.9425 | 1.5410 | 1.3136 | 1.6350 | 0.7961 | 1.9651 | 1.3651 | 1.5502 | 0.8918 | 1.4776 | 1.1242 | NA | 0.1637 | 0.1187 | NA | 0.1007 | 0.1922 | NA | 0.0948 | 0.1870 | 0.2261 | NA | 0.2773 | 1.7664 | 1.6841 | 1.3983 | 1.6748 | 1.9608 | 1.3451 | 1.5937 | 1.6487 | 1.8350 | 1.9829 | 1.5286 | 1.6569 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.7021 | 0.7021 | 0.7021 | 0.7021 | 0.6992 | 0.7381 | 0.7666 | 0.6939 | 0.4508 | NA | 0.1488 | 0.3547 | 0.3987 | 0.4393 |
| 2-Hydroxyibuprofen | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 3.5064 | 1.9407 | 2.5686 | 2.1544 | 3.2953 | 1.7243 | 4.3027 | 1.6593 | 1.9941 | 2.1277 | 2.7173 | 2.1634 | 0.0223 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.1024 | 0.1345 | 0.1487 | 0.1185 | 0.1897 | 0.1755 | 0.1211 | 0.1158 | 0.1701 | 0.1185 | 0.1790 | 0.1006 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.7268 | 0.7268 | 0.7268 | 0.7268 | 0.6617 | 0.8096 | 0.7250 | 0.7757 | 0.3714 | 0.0303 | 0.0428 | 0.1933 | 0.2921 | 0.3402 |
| 2-Hydroxymyristic acid | 0.6530 | 0.6943 | 0.5146 | 0.4435 | 0.6737 | 0.7548 | 0.3487 | 0.4522 | 0.6388 | 0.7006 | 0.4515 | 0.4460 | 1.2108 | 1.0907 | 0.5206 | 0.6076 | 1.4210 | 1.1426 | 0.8409 | 0.6845 | 1.2647 | 1.1055 | 0.6744 | 0.6465 | 1.5400 | 2.0416 | 0.5406 | 0.7033 | 1.5644 | 2.9630 | 0.3894 | 0.5932 | 3.4939 | 2.6635 | 0.5121 | 0.5303 | 2.6787 | 2.5895 | 0.8280 | 0.7010 | 3.1538 | 2.8619 | 1.0709 | 0.7656 | 2.7837 | 2.5045 | 0.8382 | 0.6807 | 0.0289 | 0.3524 | 0.3470 | 0.3288 | 0.3349 | 0.3121 | 0.2736 | 0.3565 | 0.3048 | 0.3130 | 0.3216 | 0.2676 | 1.1377 | 1.1377 | 1.1377 | 1.1377 | 1.1479 | 1.1418 | 1.0865 | 1.1265 | 1.0293 | 0.4328 | 0.5515 | 0.7170 | 0.7935 | 0.9075 |
| 2-Hydroxyoleic acid | 0.3961 | 0.3445 | 0.3011 | 0.3791 | 0.3355 | 0.4779 | 0.2690 | 0.3562 | 0.3422 | 0.3986 | 0.3619 | 0.4409 | 2.1908 | 1.5903 | 1.1874 | 0.9424 | 2.1819 | 1.9476 | 1.8967 | 1.1588 | 2.0638 | 1.5965 | 1.5218 | 1.0818 | 1.1503 | 1.5863 | 0.6783 | 0.9655 | 1.1626 | 2.5652 | 0.3980 | 0.8566 | 2.2377 | 2.2727 | 0.5719 | 0.7806 | 1.8069 | 1.7913 | 0.9759 | 0.5604 | 1.9147 | 2.0468 | 1.2623 | 0.6598 | 2.0504 | 1.5984 | 0.9205 | 0.5565 | 0.2964 | 0.3430 | 0.2813 | 0.2940 | 0.3078 | 0.2702 | 0.2382 | 0.3280 | 0.2543 | 0.2839 | 0.2832 | 0.2445 | 1.3115 | 1.3115 | 1.3115 | 1.3115 | 1.3403 | 1.2469 | 1.1895 | 1.4180 | 1.1783 | 0.4756 | 0.5654 | 0.7834 | 0.9387 | 1.0607 |
| 2-Hydroxy palmitic acid | 0.8915 | 1.0006 | 0.3362 | 0.5688 | 0.8400 | 1.3271 | 0.3025 | 0.3182 | 0.8796 | 0.9795 | 0.2099 | 0.3440 | 1.6253 | 1.1490 | 0.3079 | 0.4269 | 1.8871 | 1.4789 | 0.6254 | 0.7570 | 1.7135 | 1.3904 | 0.4789 | 0.5599 | 1.6719 | 2.6901 | 0.2485 | 0.7790 | 1.7835 | 3.5380 | 0.1957 | 0.6913 | 1.4595 | 3.3534 | 0.2064 | 0.4945 | 2.6187 | 2.7039 | 0.9390 | 1.0289 | 3.2539 | 2.7581 | 1.3810 | 1.0159 | 2.8608 | 2.7596 | 0.6881 | 0.7967 | 0.0026 | 0.0422 | 0.0418 | 0.0387 | 0.0412 | 0.0386 | 0.0345 | 0.0404 | 0.0397 | 0.0381 | 0.0367 | 0.0354 | 1.1498 | 1.1498 | 1.1498 | 1.1498 | 1.1756 | 1.1405 | 1.1760 | 1.1692 | 1.0609 | 0.2596 | 0.3656 | 0.6152 | 0.7640 | 0.9302 |
| 2-Hydroxystearic acid | 0.2455 | 0.2327 | 0.1685 | 0.1999 | 0.2003 | 0.3076 | 0.1282 | 0.1422 | 0.2054 | 0.2316 | 0.1168 | 0.1672 | 1.8016 | 1.1536 | 0.6821 | 0.6360 | 2.2509 | 1.6512 | 1.8565 | 1.2971 | 1.9190 | 1.3606 | 1.1989 | 0.9423 | 0.9065 | 1.5364 | 0.3992 | 1.5422 | 0.8968 | 2.5078 | 0.2520 | 1.1513 | 2.1265 | 2.2798 | 0.3024 | 0.7549 | 2.9197 | 3.0279 | 1.3538 | 1.3744 | 3.6730 | 3.2305 | 2.2294 | 1.2994 | 3.5539 | 2.9109 | 0.8884 | 0.9479 | 0.0042 | 0.0297 | 0.0264 | 0.0249 | 0.0239 | 0.0223 | 0.0222 | 0.0249 | 0.0236 | 0.0212 | 0.0226 | 0.0238 | 1.1074 | 1.1074 | 1.1074 | 1.1074 | 1.1585 | 1.1884 | 1.1209 | 1.1667 | 1.1523 | 0.1636 | 0.2322 | 0.4956 | 0.6381 | 0.8233 |
| 3-Hydroxydecanoic acid | 0.1029 | 0.1178 | 5.2584 | 5.4851 | 0.1000 | 0.1137 | 5.6094 | 5.1455 | 0.1189 | 0.1244 | 6.9558 | 4.4731 | 0.1903 | 0.1702 | 2.9081 | 3.2824 | 0.1785 | 0.1590 | 4.0923 | 3.2530 | 0.1839 | 0.1764 | 2.9758 | 3.5735 | 0.1183 | 0.1240 | 0.5147 | 0.3938 | 0.1123 | 0.1224 | 0.3922 | 0.3842 | 0.2480 | 0.1262 | 0.4715 | 0.3661 | 0.1396 | 0.1077 | 0.1658 | 0.1364 | 0.1195 | 0.1285 | 0.1247 | 0.1473 | 0.1167 | 0.1177 | 0.1530 | 0.1495 | 0.0446 | 0.1111 | 0.1159 | 0.1108 | 0.1069 | 0.1204 | 0.1043 | 0.1171 | 0.0993 | 0.1236 | 0.1191 | 0.1137 | 1.1444 | 1.1444 | 1.1444 | 1.1444 | 1.1278 | 1.1569 | 1.1615 | 1.0954 | 0.9897 | 0.2816 | 0.3874 | 0.5855 | 0.7479 | 0.8732 |
| 3-Hydroxyoctanoic acid | 0.3094 | 0.3297 | 2.8446 | 4.2408 | 0.2910 | 0.3336 | 2.5580 | 4.5832 | 0.5280 | 0.3733 | 3.7667 | 4.2366 | 0.3221 | 0.3404 | 1.5156 | 2.8819 | 0.3251 | 0.2840 | 2.0946 | 2.8331 | 0.3578 | 0.3328 | 1.8052 | 2.7698 | 0.3354 | 0.3642 | 1.6535 | 1.8368 | 0.3269 | 0.3182 | 1.4928 | 1.7780 | 0.5052 | 0.3836 | 1.9141 | 1.6079 | 0.3152 | 0.2130 | 0.4495 | 0.5838 | 0.2444 | 0.2969 | 0.3709 | 0.6819 | 0.1950 | 0.2390 | 0.6260 | 0.5963 | 0.1734 | 0.2979 | 0.3572 | 0.3346 | 0.2523 | 0.2596 | 0.2220 | 0.2866 | 0.2971 | 0.3009 | 0.2521 | 0.2190 | 1.1598 | 1.1598 | 1.1598 | 1.1598 | 1.1604 | 1.2449 | 1.1358 | 1.1503 | 0.9620 | 0.3562 | 0.3844 | 0.5266 | 0.7585 | 0.8434 |
| 3-Oxooctadecanoic acid | 0.9058 | 0.8367 | 0.6454 | 0.7961 | 0.7343 | 0.7479 | 0.6731 | 0.7531 | 0.7371 | 0.8623 | 0.7469 | 0.7631 | 1.6996 | 1.5816 | 1.0018 | 0.9403 | 1.8069 | 1.6773 | 1.3655 | 1.1826 | 1.4886 | 1.4381 | 1.1436 | 1.0488 | 1.1411 | 1.3392 | 0.8742 | 1.1006 | 1.1963 | 1.5249 | 0.7254 | 1.0103 | 2.1287 | 1.0537 | 0.7901 | 0.9766 | 1.3663 | 1.3958 | 0.9367 | 0.7741 | 1.2852 | 1.2965 | 0.7758 | 0.7485 | 1.1620 | 1.3217 | 0.7877 | 0.8063 | 0.7265 | 0.7461 | 0.7378 | 0.7556 | 0.6515 | 0.7459 | 0.6672 | 0.7786 | 0.6701 | 0.7130 | 0.6754 | 0.6516 | 1.0640 | 1.0640 | 1.0640 | 1.0640 | 0.9705 | 0.9687 | 1.0504 | 1.0203 | 1.0398 | 0.6784 | 0.7982 | 0.8605 | 0.8814 | 0.8622 |
| 4,7,10,13,16-Docosapentaenoic acid | 0.2826 | 0.3938 | NA | 0.0441 | 0.3003 | 0.6378 | NA | 0.0090 | 0.1978 | 0.3719 | NA | 0.0215 | 1.3520 | 0.8380 | 0.2732 | 0.2252 | 1.2644 | 1.0191 | 0.5300 | 0.0768 | 1.1713 | 0.6552 | 0.2440 | 0.1759 | 1.0910 | 1.3652 | 0.2718 | 0.3802 | 0.7890 | 1.4869 | 0.0400 | 0.2899 | 15.8942 | 1.3927 | 0.1891 | 0.2412 | 2.5814 | 2.0837 | 1.1067 | 0.5029 | 2.5692 | 3.5271 | 1.1998 | 0.8088 | 2.2985 | 1.7038 | 0.5540 | 0.6576 | NA | 0.0083 | 0.0167 | NA | NA | NA | NA | 0.0125 | NA | NA | NA | NA | 0.8022 | 0.8022 | 0.8022 | 0.8022 | 0.7438 | 0.6722 | 0.7542 | 0.6819 | 0.7268 | 0.2475 | 0.2555 | 0.4901 | 0.5134 | 0.5599 |
| 5-Dodecenoic acid | 0.0369 | 0.0567 | 4.2330 | 4.5181 | 0.0396 | 0.0660 | 3.8755 | 4.0945 | 0.0950 | 0.0396 | 2.9399 | 4.6434 | 0.0831 | 0.0858 | 0.7785 | 4.2423 | 0.1372 | 0.0501 | 1.3037 | 4.2528 | 0.1451 | 0.1531 | 0.7442 | 4.2159 | 0.0818 | 0.0119 | 3.0376 | 0.6030 | 0.0924 | 0.0647 | 1.8592 | 0.7706 | 0.8577 | 0.1161 | 2.6945 | 0.8471 | 0.2243 | 0.1623 | 1.1427 | 0.7059 | 0.2745 | 0.2190 | 1.0860 | 0.7864 | 0.2533 | 0.1953 | 0.9540 | 0.9078 | NA | 0.0686 | 0.0317 | NA | 0.0383 | 0.0224 | 0.0633 | 0.0871 | 0.0145 | 0.0501 | 0.0158 | 0.0106 | 1.1453 | 1.1453 | 1.1453 | 1.1453 | 1.1968 | 1.0147 | 1.1559 | 1.1823 | 0.9685 | 0.2494 | 0.3193 | 0.6479 | 0.6809 | 0.8221 |
| 5-HETE | 0.4393 | 0.6906 | 0.4589 | 0.8588 | 0.8875 | 0.6792 | 0.3247 | 0.3551 | 0.6451 | 0.8046 | 0.2815 | 0.4226 | 1.2669 | 1.3769 | 0.5847 | 0.8188 | 1.1118 | 1.4169 | 1.4987 | 0.6527 | 1.5235 | 1.3627 | 1.1405 | 0.7195 | 0.8572 | 2.4618 | 0.9765 | 0.6766 | 1.1857 | 2.8682 | 0.7562 | 0.9790 | 3.2796 | 1.8456 | 0.5268 | 0.9485 | 2.8712 | 1.9776 | 0.6591 | 0.7468 | 2.5325 | 2.1494 | 1.0436 | 0.4570 | 2.3006 | 1.7948 | 1.3002 | 0.4015 | 0.3785 | 0.5783 | 0.1371 | 0.2895 | 0.3632 | 0.3686 | 0.4325 | 0.5737 | 0.3251 | 0.1801 | 0.3452 | 0.3306 | 1.0382 | 1.0382 | 1.0382 | 1.0382 | 1.0815 | 1.0687 | 1.0125 | 1.0247 | 1.1255 | 0.7842 | 0.5471 | 0.8320 | 1.0311 | 1.1203 |
| 7-Ketodeoxycholic acid | 0.1861 | 0.2109 | 0.0415 | 0.0151 | 0.1897 | 0.2671 | 0.0320 | 0.0573 | 0.2029 | 0.2110 | 0.2164 | 0.1731 | 0.9952 | 0.6100 | 1.9717 | 0.9841 | 0.9269 | 0.5650 | 2.0020 | 0.9828 | 0.8729 | 0.6755 | 1.9325 | 0.8624 | 1.0056 | 1.6651 | 0.4754 | 0.6106 | 0.9406 | 1.6386 | 0.3144 | 0.6176 | 2.3699 | 1.8938 | 0.4290 | 0.6199 | 2.6996 | 1.8045 | 2.5260 | 0.6440 | 2.9196 | 1.9556 | 2.2804 | 0.8690 | 2.8408 | 1.9452 | 2.4265 | 0.7426 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.9522 | 0.9522 | 0.9522 | 0.9522 | 0.9003 | 1.0568 | 0.9084 | 0.9498 | 0.7751 | 0.1759 | 0.2540 | 0.4450 | 0.5978 | 0.7098 |
| 9,10-DiHOME | 0.5291 | 0.4229 | 0.5267 | 0.7049 | 0.3736 | 0.5009 | 0.5304 | 0.5695 | 0.3762 | 0.4472 | 0.5670 | 0.7668 | 2.9675 | 2.0186 | 2.0428 | 1.6395 | 2.7904 | 1.8977 | 2.6566 | 1.3089 | 2.6244 | 1.9242 | 2.0349 | 1.3494 | 1.2520 | 1.9511 | 0.7525 | 1.1640 | 1.2097 | 2.1654 | 0.5407 | 1.1718 | 1.2588 | 2.3383 | 0.7299 | 1.1198 | 0.9992 | 0.8162 | 1.0057 | 0.6967 | 1.0694 | 0.9630 | 0.9774 | 0.7888 | 1.0896 | 0.8641 | 0.9349 | 0.6920 | 0.1137 | 0.1753 | 0.1410 | 0.1593 | 0.1328 | 0.1733 | 0.1100 | 0.1704 | 0.1246 | 0.1618 | 0.1624 | 0.1384 | 1.2245 | 1.2245 | 1.2245 | 1.2245 | 1.2290 | 1.2327 | 1.1819 | 1.1914 | 1.0530 | 0.4181 | 0.4733 | 0.6954 | 0.8143 | 0.9284 |
| 9-cis-Retinoic acid | 0.9378 | 0.8476 | 0.8810 | 0.8671 | 0.9564 | 0.8901 | 0.8486 | 1.1306 | 0.9189 | 0.8983 | 0.8703 | 0.9155 | 1.0409 | 1.7864 | 1.0185 | 1.0006 | 1.4964 | 1.0038 | 1.1666 | 1.0467 | 1.0919 | 1.2789 | 1.3436 | 0.9975 | 0.8705 | 0.8271 | 0.9286 | 1.0209 | 0.8472 | 0.9484 | 0.8708 | 0.9111 | 3.4325 | 0.9810 | 0.8885 | 0.8923 | 0.8832 | 0.9631 | 1.0016 | 0.9716 | 1.0490 | 0.8668 | 0.8659 | 0.8737 | 0.9188 | 0.9380 | 0.8480 | 1.0663 | 0.0005 | 0.9056 | 0.7920 | 0.7833 | 0.8859 | 0.8909 | 0.8783 | 0.8159 | 1.7389 | 0.9748 | 0.8534 | 0.9291 | 0.9550 | 0.9550 | 0.9550 | 0.9550 | 0.9702 | 0.9661 | 1.3752 | 0.9838 | 0.9221 | 0.8719 | 0.9122 | 0.9619 | 0.9389 | 0.9297 |
| Adrenic acid | 0.2611 | 0.4102 | 0.0683 | 0.1562 | 0.2979 | 0.7197 | 0.0639 | 0.1629 | 0.1891 | 0.4004 | 0.0829 | 0.1512 | 1.6595 | 0.8853 | 0.9982 | 0.5799 | 2.3795 | 1.7168 | 1.7673 | 0.7954 | 1.7029 | 1.0891 | 1.1641 | 0.7845 | 0.5243 | 0.8014 | 0.2970 | 0.6691 | 0.4225 | 1.2533 | 0.1466 | 0.5930 | 4.0758 | 1.3855 | 0.2563 | 0.4050 | 3.5837 | 3.3016 | 1.4158 | 0.8117 | 4.5742 | 5.0342 | 2.0271 | 1.1025 | 4.5310 | 3.1786 | 1.0122 | 0.9914 | 0.0757 | 0.1011 | 0.0892 | 0.0772 | 0.1057 | 0.1051 | 0.0478 | 0.0706 | 0.0805 | 0.0426 | 0.0962 | 0.0822 | 1.0473 | 1.0473 | 1.0473 | 1.0473 | 1.1124 | 0.9306 | 1.1266 | 1.2098 | 0.8542 | 0.3415 | 0.4256 | 0.5448 | 0.6737 | 0.7376 |
| alpha-CEHC | NA | 0.0439 | NA | NA | NA | 0.0708 | NA | NA | 0.1020 | NA | NA | 0.0425 | 0.0368 | 0.1346 | 0.1658 | 0.1105 | 0.0808 | 0.0383 | 0.1190 | 0.1261 | 0.0850 | 0.0723 | 0.1247 | 0.0723 | 2.4496 | 4.7277 | 3.0928 | 6.4051 | 2.5672 | 2.3306 | 2.6592 | 5.8554 | 2.1974 | 4.9388 | 2.7910 | 6.0396 | 0.3556 | 0.1374 | 0.2465 | 0.1190 | 0.1587 | 0.2352 | 0.3556 | 0.2125 | 0.1700 | 0.2437 | 0.2933 | 0.3400 | 0.8189 | 0.0453 | 0.0567 | NA | 0.0340 | NA | 0.0496 | 0.0496 | NA | 0.0496 | NA | 0.0142 | 0.9931 | 0.9931 | 0.9931 | 0.9931 | 0.9804 | 1.0456 | 0.9861 | 1.0215 | 0.6815 | 0.2408 | 0.2578 | 0.2607 | 0.4406 | 0.6475 |
| alpha-Linolenic acid | 0.0634 | 0.0525 | 0.0108 | 0.0318 | 0.0423 | 0.0883 | 0.0129 | 0.0170 | 0.0397 | 0.0655 | 0.0082 | 0.0126 | 7.4295 | 4.1414 | 0.2704 | 0.4029 | 7.6691 | 5.3959 | 0.2834 | 0.6846 | 6.6565 | 4.8105 | 0.4694 | 0.4378 | 1.0614 | 1.6279 | 0.0787 | 0.0962 | 1.1143 | 2.1844 | 0.0254 | 0.0672 | 4.6478 | 2.2305 | 0.0396 | 0.0630 | 0.8522 | 0.8964 | 0.1039 | 0.1125 | 1.1260 | 0.8165 | 0.1284 | 0.1006 | 1.0346 | 0.7380 | 0.0659 | 0.0720 | NA | 0.0057 | 0.0090 | 0.0045 | 0.0068 | 0.0042 | 0.0053 | 0.0087 | 0.0065 | 0.0058 | 0.0054 | 0.0032 | 1.3224 | 1.3224 | 1.3224 | 1.3224 | 1.3227 | 1.3125 | 1.3031 | 1.3573 | 1.0467 | 0.2449 | 0.3551 | 0.6191 | 0.7673 | 0.9369 |
| alpha-Muricholic acid | 0.0652 | 0.0776 | 0.3503 | 0.5282 | 0.0695 | 0.0968 | 0.3483 | 0.2105 | 0.0601 | 0.0799 | 0.1742 | 0.3142 | 2.0167 | 1.1747 | 2.4306 | 2.9236 | 1.8693 | 1.0756 | 3.3018 | 3.0191 | 1.6580 | 1.1478 | 2.5966 | 2.8483 | 0.2353 | 0.4501 | 0.5807 | 0.8629 | 0.2362 | 0.4581 | 0.4478 | 0.8389 | 0.7091 | 0.5121 | 0.5414 | 0.8886 | 0.9663 | 0.7696 | 2.3471 | 1.2662 | 0.9996 | 0.8563 | 2.1402 | 1.3580 | 0.9117 | 0.8591 | 2.1266 | 1.2919 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.9817 | 0.9817 | 0.9817 | 0.9817 | 0.9712 | 0.9802 | 1.0062 | 0.9164 | 0.7890 | 0.2065 | 0.2899 | 0.4508 | 0.6544 | 0.7177 |
| Arachidic acid | 0.4257 | 0.3527 | 0.2309 | 0.3739 | 0.2783 | 0.5683 | 0.2321 | 0.6210 | 0.2631 | 0.3131 | 0.2976 | 0.4811 | 1.5110 | 2.1099 | 1.5239 | 0.7536 | 1.7860 | 2.5303 | 2.0990 | 1.5996 | 2.0303 | 1.5941 | 3.6831 | 1.6900 | 1.0105 | 1.3673 | 1.2127 | 1.3927 | 0.6510 | 1.0385 | 0.5907 | 0.8670 | 1.2305 | 1.8638 | 1.0807 | 0.7475 | 1.5566 | 1.7195 | 1.0234 | 1.0536 | 1.0609 | 1.6336 | 1.3136 | 1.1525 | 1.6943 | 1.2807 | 1.1424 | 1.3327 | 0.0007 | 0.0657 | 0.0441 | 0.0318 | 0.0665 | 0.0312 | 0.0373 | 0.0402 | 0.0539 | 0.0505 | 0.0598 | 0.0404 | 1.1653 | 1.1653 | 1.1653 | 1.1653 | 1.7732 | 1.3825 | 1.5158 | 1.2835 | 1.3737 | 0.8154 | 0.8643 | 1.0595 | 1.2008 | 1.1829 |
| Arachidonic acid | 0.4751 | 0.8436 | 0.0755 | 0.2626 | 0.4506 | 1.1519 | 0.0642 | 0.1285 | 0.4200 | 0.8760 | 0.1257 | 0.1507 | 1.3174 | 0.9337 | 0.2050 | 0.7525 | 1.4988 | 1.1600 | 0.3675 | 0.8363 | 1.2881 | 0.8844 | 0.2528 | 0.7518 | 1.3503 | 1.9825 | 0.2216 | 0.2194 | 1.4496 | 3.0128 | 0.0656 | 0.1910 | 17.0197 | 2.9254 | 0.1556 | 0.1760 | 1.3260 | 1.1393 | 1.4382 | 1.5478 | 1.4346 | 1.4139 | 1.8591 | 1.9412 | 1.3529 | 1.0912 | 1.1382 | 1.6502 | NA | 0.1210 | 0.0891 | 0.0916 | 0.1109 | 0.0765 | 0.0397 | 0.0601 | 0.1030 | 0.1051 | 0.1135 | 0.0459 | 0.9203 | 0.9203 | 0.9203 | 0.9203 | 0.8725 | 0.9645 | 0.8247 | 0.9322 | 0.7671 | 0.3770 | 0.4156 | 0.5215 | 0.6368 | 0.6753 |
| Asiatic acid | 0.1618 | 0.5211 | 0.1425 | 0.5751 | 0.1547 | 0.6660 | 0.1376 | 0.5255 | 0.1784 | 0.5458 | 0.1397 | 0.4707 | 0.9165 | 1.1997 | 0.9425 | 1.0976 | 1.0147 | 1.0706 | 1.5136 | 1.4538 | 0.8837 | 1.1320 | 1.0857 | 1.1761 | 0.4835 | 1.1788 | 0.6746 | 2.0114 | 0.4314 | 1.3025 | 0.3788 | 1.7541 | 0.4152 | 1.3515 | 0.5071 | 1.3640 | 1.9703 | 1.9269 | 2.2297 | 2.6731 | 2.3393 | 2.2174 | 2.4601 | 2.7735 | 2.1561 | 1.9539 | 1.9352 | 2.1671 | NA | 0.4173 | NA | 0.3830 | NA | 0.4800 | 0.0776 | 0.3927 | 0.0281 | 0.3533 | NA | 0.2751 | 1.0460 | 1.0460 | 1.0460 | 1.0460 | 1.0710 | 0.9938 | 1.0631 | 1.0772 | 0.7257 | 0.1838 | 0.3069 | 0.4485 | 0.5611 | 0.6166 |
| Azelaic acid | 0.2689 | 0.2040 | 0.2379 | 0.2215 | 0.3079 | 0.2129 | 0.1825 | 0.1603 | 0.3037 | 0.2875 | 0.1751 | 0.2144 | 2.0458 | 2.3189 | 1.1547 | 1.2209 | 2.4483 | 1.0758 | 2.1368 | 1.6486 | 1.2678 | 1.7952 | 1.0469 | 1.1336 | 0.4667 | 0.4106 | 0.4691 | 1.1834 | 0.3173 | 0.3983 | 0.6352 | 0.5537 | 1.6755 | 0.5796 | 0.3887 | 1.0431 | 2.4110 | 2.5534 | 2.1554 | 5.3761 | 3.2074 | 1.7760 | 1.3390 | 1.3098 | 2.0252 | 2.7285 | 1.6523 | 1.6071 | 0.3519 | 0.2614 | 0.1708 | 0.1612 | 0.1766 | 0.1911 | 0.2521 | 0.2212 | 0.1288 | 0.1474 | 0.1756 | 0.2156 | 1.0345 | 1.0345 | 1.0345 | 1.0345 | 0.9967 | 1.0664 | 1.0479 | 0.9777 | 0.8755 | 0.9865 | 0.6996 | 0.8159 | 0.7957 | 0.8144 |
| Capric acid | 0.0917 | 0.0939 | 0.1338 | 0.1626 | 0.0874 | 0.1005 | 0.1146 | 0.1758 | 0.1075 | 0.0952 | 0.1409 | 0.1783 | 6.3929 | 3.9004 | 5.1357 | 3.4803 | 5.8960 | 3.6673 | 7.6025 | 3.1181 | 5.6316 | 4.0275 | 4.8897 | 3.4349 | 0.1560 | 0.2049 | 0.1720 | 0.1050 | 0.1562 | 0.2329 | 0.1220 | 0.1115 | 1.1044 | 0.2379 | 0.1482 | 0.1039 | 0.1134 | 0.0814 | 0.2457 | 0.1816 | 0.1088 | 0.1030 | 0.2224 | 0.1969 | 0.1051 | 0.0835 | 0.2267 | 0.1791 | 0.0028 | 0.0582 | 0.0620 | 0.0580 | 0.0550 | 0.0600 | 0.0470 | 0.0585 | 0.0545 | 0.0513 | 0.0549 | 0.0442 | 0.9223 | 0.9223 | 0.9223 | 0.9223 | 0.9383 | 0.9394 | 0.8780 | 0.8826 | 0.7136 | 0.1755 | 0.2515 | 0.4082 | 0.5407 | 0.6147 |
| Caprylic acid | 2.7189 | 2.3760 | 1.4821 | 2.3590 | 2.1430 | 3.3164 | 1.3784 | 2.2875 | 2.3483 | 2.8931 | 1.9420 | 2.1951 | 3.5740 | 2.1278 | 3.3337 | 2.3221 | 3.3785 | 1.9215 | 4.6099 | 1.9927 | 2.9586 | 2.2531 | 3.0977 | 2.1410 | 0.0713 | 0.1103 | 0.0860 | 0.0595 | 0.0733 | 0.1163 | 0.0571 | 0.0604 | 0.4185 | 0.1329 | 0.0727 | 0.0536 | 0.0473 | 0.0370 | 0.1049 | 0.1173 | 0.0477 | 0.0447 | 0.0853 | 0.1219 | 0.0408 | 0.0451 | 0.0953 | 0.1137 | 0.0007 | 0.0153 | 0.0163 | 0.0160 | 0.0159 | 0.0161 | 0.0135 | 0.0157 | 0.0154 | 0.0152 | 0.0150 | 0.0121 | 0.9771 | 0.9771 | 0.9771 | 0.9771 | 0.9883 | 1.0290 | 0.9848 | 0.9656 | 0.7424 | 0.1360 | 0.2064 | 0.3816 | 0.5091 | 0.6182 |
| Carboxyibuprofen | 0.0120 | 0.0193 | 0.0076 | 0.0130 | 0.0143 | 0.0171 | 0.0018 | 0.0150 | 0.0210 | 0.0100 | 0.0079 | 0.0166 | 5.7769 | 4.5930 | 4.2900 | 4.1546 | 6.6661 | 3.2435 | 6.9351 | 5.9716 | 3.9011 | 4.8184 | 3.9484 | 3.8093 | 0.0162 | 0.0093 | 0.0108 | 0.0045 | 0.0171 | 0.0218 | 0.0137 | 0.0095 | 0.0166 | 0.0191 | 0.0082 | 0.0042 | 0.0575 | 0.0473 | 0.0543 | 0.1534 | 0.0709 | 0.0419 | 0.0425 | 0.0554 | 0.0475 | 0.0577 | 0.0472 | 0.2569 | 0.0544 | 0.0374 | 0.0216 | 0.0137 | 0.0266 | 0.0236 | 0.0074 | 0.0186 | 0.0229 | 0.0330 | 0.0179 | 0.0150 | 1.0892 | 1.0892 | 1.0892 | 1.0892 | 1.0440 | 1.2670 | 1.0911 | 1.0125 | 1.0791 | 0.8118 | 0.7738 | 0.9396 | 0.9669 | 1.0180 |
| Carnosol | 0.5373 | 0.5578 | 0.1450 | 0.4381 | 0.4702 | 0.9443 | 0.2992 | 0.5387 | 0.7849 | 0.6366 | 0.3622 | 0.3809 | 0.6484 | 0.2446 | 0.1412 | 0.1714 | 0.8803 | 0.2921 | 0.5105 | 0.1751 | 0.5247 | 0.3794 | 0.4918 | 0.1592 | 0.9553 | 1.4209 | 0.5586 | 1.7237 | 1.0128 | 1.9990 | 0.2817 | 1.3173 | 2.5519 | 2.0355 | 0.3995 | 1.1733 | 2.3961 | 1.7983 | 3.1058 | 3.0388 | 2.6429 | 1.8830 | 3.8062 | 3.1413 | 2.2785 | 1.9362 | 2.3118 | 2.7461 | 0.0120 | NA | NA | 0.0053 | NA | 0.0012 | NA | 0.0075 | 0.0075 | NA | NA | NA | 0.9218 | 0.9218 | 0.9218 | 0.9218 | 0.9315 | 1.0122 | 0.9697 | 0.9222 | 0.6634 | 0.0810 | 0.1712 | 0.3995 | 0.3961 | 0.5040 |
| Chenodeoxycholic acid | 0.3712 | 0.3917 | 0.3617 | 0.3596 | 0.3865 | 0.5307 | 0.3631 | 0.2702 | 0.3500 | 0.4765 | 0.2350 | 0.2993 | 1.6178 | 1.0913 | 1.1767 | 0.9957 | 1.6695 | 1.1945 | 2.1181 | 0.8922 | 1.5118 | 1.1675 | 1.6076 | 0.8240 | 1.1854 | 1.3549 | 0.6555 | 1.0529 | 1.1321 | 1.5858 | 0.4139 | 0.9474 | 3.6269 | 1.6927 | 0.6318 | 0.9285 | 1.5965 | 1.3753 | 3.4616 | 1.3813 | 1.8919 | 1.5395 | 3.8005 | 1.6738 | 1.7965 | 1.3239 | 3.2907 | 1.5278 | 0.7553 | 0.0439 | 0.0399 | 0.0358 | 0.0477 | 0.0379 | 0.0277 | 0.0409 | 0.0300 | 0.0407 | 0.0409 | 0.0185 | 1.1145 | 1.1145 | 1.1145 | 1.1145 | 1.1581 | 1.0954 | 1.0228 | 1.1014 | 0.9889 | 0.2640 | 0.3741 | 0.6130 | 0.7726 | 0.8636 |
| Cholic acid | 0.2172 | 0.2078 | 0.1987 | 0.2119 | 0.2279 | 0.2828 | 0.2261 | 0.1751 | 0.2147 | 0.2629 | 0.2213 | 0.2595 | 0.7303 | 0.4570 | 1.5935 | 1.1705 | 0.7181 | 0.4388 | 2.1104 | 1.1070 | 0.6714 | 0.4541 | 1.6309 | 1.0501 | 1.0634 | 1.4466 | 0.4633 | 0.7611 | 0.9639 | 1.4957 | 0.3120 | 0.8087 | 11.4076 | 1.5989 | 0.4904 | 0.7841 | 2.0486 | 1.7445 | 2.7617 | 1.6890 | 2.2148 | 1.8287 | 2.6038 | 1.9301 | 2.2288 | 1.6223 | 2.6512 | 1.7760 | NA | 0.0039 | 0.0024 | 0.0012 | 0.0037 | 0.0023 | 0.0011 | 0.0027 | 0.0014 | 0.0024 | 0.0021 | 0.0009 | 1.0003 | 1.0003 | 1.0003 | 1.0003 | 0.9921 | 1.0452 | 0.9455 | 0.9810 | 0.8772 | 0.2333 | 0.3279 | 0.5601 | 0.6933 | 0.7859 |
| cis-Erucic acid | 0.2540 | 0.2169 | 0.1503 | 0.3728 | 0.1648 | 0.4938 | 0.1569 | 0.4453 | 0.2808 | 0.1880 | 0.4168 | 0.4637 | 1.9483 | 2.4879 | 2.2680 | 0.9903 | 2.2472 | 3.9800 | 3.1146 | 1.9527 | 2.4924 | 1.9957 | 5.9168 | 2.0329 | 0.5792 | 0.7682 | 0.6304 | 0.9213 | 0.3433 | 0.7753 | 0.2967 | 0.4931 | 0.4669 | 1.1383 | 0.6578 | 0.3844 | 2.0319 | 1.7278 | 0.8038 | 0.8549 | 1.3777 | 1.9479 | 1.1966 | 1.1168 | 1.7411 | 1.2430 | 0.9141 | 1.0249 | NA | 0.0158 | 0.0107 | 0.0091 | 0.0250 | 0.0078 | 0.0087 | 0.0147 | 0.0148 | 0.0129 | 0.0151 | 0.0140 | 1.0705 | 1.0705 | 1.0705 | 1.0705 | 1.5749 | 1.2785 | 1.2784 | 1.2527 | 1.2138 | 0.4639 | 0.5536 | 0.4867 | 0.9998 | 1.0010 |
| Dehydroepiandrosterone sulfate | 3.8206 | 3.6727 | 0.8273 | 0.6807 | 3.8475 | 4.4078 | 0.6583 | 0.7028 | 3.8992 | 3.9603 | 0.6312 | 0.8707 | 0.0753 | 0.1142 | 0.0126 | 1.4345 | 0.0643 | 0.0508 | 0.0134 | 0.0089 | 0.0456 | 0.0584 | 0.0101 | 0.0066 | 4.2240 | 6.8488 | 0.0483 | 0.0776 | 4.1226 | 5.8830 | 0.0570 | 0.0775 | 0.7120 | 7.5690 | 0.0412 | 0.0709 | 0.0528 | 0.0658 | 0.0282 | 0.0348 | 0.0730 | 0.0584 | 0.0370 | 0.0655 | 0.0834 | 0.0589 | 0.0259 | 0.0380 | 0.0020 | 0.0109 | NA | NA | 0.0168 | 0.0053 | 0.0001 | 0.0035 | 0.0088 | 0.0228 | 0.0121 | 0.0076 | 1.0789 | 1.0789 | 1.0789 | 1.0789 | 1.1810 | 1.1725 | 1.0516 | 0.8259 | 0.9092 | 0.0819 | 0.1482 | 0.4904 | 0.7400 | 0.7665 |
| Dehydrolithocholic acid | 0.6309 | 0.7661 | 0.6895 | 0.0797 | 0.8325 | 1.0271 | 0.3733 | 0.0321 | 0.6412 | 0.9258 | 0.9983 | 0.0628 | 1.5011 | 1.3456 | 0.3944 | 0.1056 | 1.6658 | 1.5838 | 0.5216 | 0.1404 | 1.4085 | 1.5877 | 0.4459 | 0.0935 | 0.8285 | 0.7535 | 0.2550 | 0.2916 | 0.8324 | 0.9879 | 0.1687 | 0.2616 | 0.5055 | 0.9238 | 0.2657 | 0.2359 | 3.7565 | 2.4687 | 2.5207 | 1.5619 | 4.5984 | 2.9501 | 2.5975 | 1.4229 | 3.9517 | 2.5073 | 1.8110 | 1.1093 | NA | 0.0001 | NA | NA | 0.0005 | 0.0001 | 0.0002 | 0.0001 | 0.0001 | 0.0001 | 0.0001 | NA | 1.2769 | 1.2769 | 1.2769 | 1.2769 | 1.2215 | 1.2536 | 1.3365 | 1.2612 | 1.0590 | 0.3098 | 0.4419 | 0.7066 | 0.8784 | 1.0034 |
| Deoxycholic acid | 0.1746 | 0.1769 | 0.0275 | 0.0090 | 0.1629 | 0.2190 | 0.0406 | 0.0052 | 0.1732 | 0.2297 | 0.0392 | 0.0072 | 0.2626 | 0.1229 | 0.0205 | 0.0182 | 0.2580 | 0.1336 | 0.0379 | 0.0209 | 0.2349 | 0.1460 | 0.0245 | 0.0151 | 1.8883 | 2.9750 | 0.2013 | 0.3245 | 1.8411 | 3.1791 | 0.1504 | 0.3056 | 1.3676 | 3.2886 | 0.1938 | 0.3172 | 3.9732 | 3.5189 | 2.6570 | 2.2755 | 4.3190 | 4.0417 | 2.5772 | 2.4865 | 3.9486 | 3.4070 | 2.7243 | 2.4867 | 0.0067 | 0.0018 | 0.0016 | 0.0016 | 0.0017 | 0.0018 | 0.0015 | 0.0018 | 0.0017 | 0.0018 | 0.0018 | 0.0014 | 1.4709 | 1.4709 | 1.4709 | 1.4709 | 1.4713 | 1.4540 | 1.4613 | 1.4713 | 1.2695 | 0.3690 | 0.5203 | 0.8719 | 1.0239 | 1.1704 |
| Docosahexaenoic acid | 0.1184 | 0.1808 | 0.0080 | 0.0317 | 0.1117 | 0.3132 | 0.0083 | 0.0286 | 0.1127 | 0.2338 | 0.0220 | 0.0286 | 0.9901 | 0.6357 | 0.1077 | 0.0791 | 1.1608 | 0.6523 | 0.2661 | 0.1167 | 0.7176 | 0.6680 | 0.1005 | 0.0749 | 0.4828 | 0.7060 | 0.0752 | 0.0892 | 0.4040 | 1.0276 | 0.0235 | 0.0743 | 28.8775 | 1.3002 | 0.0487 | 0.0779 | 2.2535 | 3.2201 | 1.1137 | 1.4445 | 3.1701 | 3.3129 | 1.3866 | 1.5252 | 2.2931 | 2.2953 | 0.8497 | 1.4141 | NA | 0.0355 | 0.0088 | 0.0128 | 0.0276 | 0.0151 | 0.0112 | 0.0185 | 0.0164 | 0.0119 | 0.0187 | 0.0063 | 0.7378 | 0.7378 | 0.7378 | 0.7378 | 0.7216 | 0.7011 | 0.6894 | 0.7352 | 0.7359 | 0.2188 | 0.2758 | 0.3880 | 0.5250 | 0.6421 |
| Dodecanedioic acid | 0.5664 | 0.3961 | 0.5349 | 0.5385 | 0.5671 | 0.4190 | 0.5645 | 0.4547 | 0.5153 | 0.5662 | 0.4297 | 0.4842 | 1.4995 | 1.2770 | 1.2062 | 1.2149 | 1.5992 | 0.8291 | 1.8361 | 1.6156 | 1.0722 | 1.4783 | 1.0294 | 1.1257 | 0.6309 | 0.4343 | 0.4573 | 0.9566 | 0.4262 | 0.4446 | 0.6953 | 0.7299 | 1.0335 | 0.5967 | 0.5413 | 0.9403 | 1.7021 | 1.8592 | 2.9161 | 4.7141 | 2.0121 | 1.2397 | 1.8842 | 1.7052 | 1.2720 | 1.8559 | 1.4379 | 2.0706 | 0.4416 | 0.5255 | 0.3854 | 0.3553 | 0.4495 | 0.4963 | 0.5458 | 0.5051 | 0.3231 | 0.3685 | 0.4770 | 0.5810 | 0.9981 | 0.9981 | 0.9981 | 0.9981 | 0.9992 | 1.0049 | 0.9822 | 0.9528 | 1.9017 | 0.8303 | 0.7529 | 0.9316 | 0.9046 | 0.9177 |
| Eicosadienoic acid | 0.7477 | 0.9734 | 0.3494 | 1.2437 | 0.5113 | 1.2915 | 0.2605 | 1.2431 | 0.3150 | 0.8827 | 0.5854 | 1.3717 | 1.8212 | 1.0256 | 1.1011 | 0.8353 | 1.7721 | 1.9855 | 1.6544 | 0.6774 | 1.6972 | 1.2760 | 0.9958 | 1.0845 | 1.1758 | 0.7696 | 0.9875 | 0.7100 | 0.7916 | 1.2206 | 0.2317 | 0.4813 | 3.9828 | 1.5756 | 0.7333 | 0.3986 | 2.4744 | 1.0583 | 0.9440 | 0.3637 | 1.5944 | 2.5524 | 0.9715 | 0.6787 | 2.4917 | 0.9973 | 0.6585 | 0.7425 | NA | NA | 0.0035 | 0.0028 | 0.0085 | 0.0034 | 0.0065 | NA | NA | NA | 0.0031 | NA | 1.0367 | 1.0367 | 1.0367 | 1.0367 | 1.2607 | 1.1915 | 1.3629 | 1.0962 | 0.9779 | 0.4207 | 0.5622 | 0.9547 | 0.8875 | 0.8239 |
| Eicosanedioic acid | 0.4637 | 0.4904 | 0.7976 | 0.4324 | 0.4530 | 0.4339 | 0.4296 | 0.4439 | 0.4902 | 0.4298 | 0.5259 | 0.5214 | 1.5240 | 1.9183 | 1.1641 | 0.9802 | 1.5676 | 1.3975 | 1.9479 | 1.2553 | 1.4353 | 1.3214 | 1.7116 | 1.0945 | 0.7101 | 0.8282 | 1.3379 | 1.6011 | 0.7081 | 1.1089 | 0.9472 | 1.3733 | 4.0137 | 1.0544 | 0.9965 | 1.1119 | 1.1101 | 1.2206 | 1.6952 | 1.9874 | 1.4239 | 1.4113 | 2.0587 | 1.7218 | 1.2800 | 1.2256 | 1.4732 | 1.5375 | 0.0202 | 0.3306 | 0.4203 | 0.3373 | 0.3467 | 0.3936 | 0.3745 | 0.4156 | 0.3579 | 0.3676 | 0.3502 | 0.4527 | 1.0517 | 1.0517 | 1.0517 | 1.0517 | 1.0186 | 1.0029 | 0.9755 | 1.0581 | 0.9591 | 0.4836 | 0.5772 | 0.7807 | 0.7936 | 0.8110 |
| Eicosapentaenoic acid | 0.9255 | 0.9393 | 0.9570 | 1.0031 | 1.3470 | 0.9763 | 0.7315 | 0.6890 | 1.3482 | 1.0161 | 1.0412 | 0.8075 | 1.0290 | 1.3218 | 1.0798 | 0.9574 | 0.9086 | 0.9078 | 0.9779 | 1.0054 | 0.9519 | 1.2640 | 2.9506 | 0.9531 | 0.8893 | 0.8685 | 0.8941 | 0.9940 | 0.8988 | 0.9484 | 0.9094 | 1.0692 | NA | 0.8937 | 0.9881 | 1.0397 | 0.9287 | 1.0216 | 1.2148 | 1.1538 | 1.1408 | 0.8358 | 1.0416 | 0.9743 | 0.8083 | 1.1648 | 0.9515 | 1.0810 | 0.0098 | 1.0003 | 0.9503 | 0.7799 | 0.9850 | 1.0401 | 0.8646 | 0.9307 | 1.1085 | 0.3341 | 0.9374 | 1.0389 | 1.1152 | 1.1152 | 1.1152 | 1.1152 | 1.0550 | 1.0987 | 1.1144 | 1.0094 | 0.6383 | 1.0550 | 0.9456 | 0.9295 | 0.9307 | 0.9834 |
| Eicosatrienoic acid | 0.4250 | 0.5352 | 0.0952 | 0.3682 | 0.3609 | 0.7154 | 0.0944 | 0.2007 | 0.2747 | 0.5204 | 0.1001 | 0.2594 | 1.3162 | 0.8767 | 0.5789 | 0.6392 | 1.3002 | 1.2336 | 0.6608 | 0.6641 | 1.5445 | 0.9674 | 0.6439 | 0.6726 | 0.8682 | 1.2556 | 0.3381 | 0.4785 | 0.8194 | 1.8037 | 0.1391 | 0.3647 | 26.4035 | 1.7813 | 0.2576 | 0.3285 | 1.6496 | 1.5472 | 0.7189 | 0.4231 | 1.8393 | 2.0978 | 0.8927 | 0.6295 | 1.8116 | 1.3594 | 0.4819 | 0.5224 | NA | 0.0256 | 0.0280 | 0.0290 | 0.0309 | 0.0211 | 0.0345 | 0.0222 | 0.0254 | 0.0219 | 0.0142 | 0.0165 | 0.7909 | 0.7909 | 0.7909 | 0.7909 | 0.7482 | 0.7761 | 0.7676 | 0.7897 | 0.6588 | 0.2220 | 0.2468 | 0.4206 | 0.5191 | 0.5586 |
| Eicosenoic acid | 0.2550 | 0.2445 | 1.1522 | 2.1960 | 0.2476 | 0.4753 | 1.0496 | 2.3143 | 0.1387 | 0.2271 | 1.9111 | 2.8378 | 1.7622 | 1.9379 | 1.5110 | 0.9686 | 1.6829 | 2.9939 | 1.8584 | 0.9514 | 1.9419 | 1.4589 | 2.4910 | 1.3066 | 0.8674 | 0.9168 | 1.4011 | 0.7992 | 0.5646 | 1.0847 | 0.4879 | 0.5919 | 2.3552 | 1.4393 | 1.1472 | 0.5212 | 1.5029 | 1.4024 | 0.5793 | 0.4306 | 1.2471 | 1.8655 | 0.8553 | 0.7032 | 1.7452 | 1.0837 | 0.5511 | 0.5860 | 0.0000 | 0.0132 | 0.0127 | 0.0114 | 0.0142 | 0.0070 | 0.0091 | 0.0133 | 0.0124 | 0.0090 | 0.0087 | 0.0064 | 1.2221 | 1.2221 | 1.2221 | 1.2221 | 1.6337 | 1.3111 | 1.2191 | 1.3938 | 1.1754 | 0.4695 | 0.5703 | 0.5532 | 0.9905 | 1.0350 |
| gamma-CEHC | 0.1315 | 0.2794 | 0.0306 | NA | 0.1581 | 0.2815 | NA | 0.0444 | 0.1867 | 0.1385 | 0.0779 | 0.0493 | 0.3146 | 0.2750 | 0.4881 | 0.5461 | 0.2704 | 0.2224 | 0.6218 | 0.4206 | 0.3200 | 0.2114 | 0.4542 | 0.4443 | 2.1526 | 3.3861 | 2.1064 | 3.9695 | 1.9483 | 3.6670 | 1.7433 | 3.7939 | 1.5721 | 3.8053 | 2.0091 | 3.8731 | 0.5509 | 0.4762 | 0.6161 | 1.5333 | 0.7183 | 0.7250 | 0.6698 | 0.5860 | 0.4669 | 0.6026 | 0.6482 | 0.5355 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0478 | 1.0478 | 1.0478 | 1.0478 | 1.0239 | 1.0921 | 0.8782 | 1.0517 | 0.8923 | 0.2750 | 0.3627 | 0.5645 | 0.7340 | 0.8119 |
| Gingerol | 0.8508 | 0.7319 | 0.6586 | 0.7302 | 1.0955 | 0.5941 | 0.6521 | 0.7463 | 0.9522 | 0.7135 | 0.5733 | 0.6800 | 0.7466 | 0.8193 | 0.6915 | 0.6514 | 0.5731 | 0.6661 | 0.7168 | 0.7356 | 0.8286 | 0.9001 | 0.6910 | 0.7161 | 0.9232 | 0.7079 | 0.9029 | 1.0253 | 0.9598 | 0.8321 | 0.8288 | 0.8628 | 11.4168 | 0.8757 | 0.8801 | 0.8886 | 0.9274 | 0.7931 | 0.8863 | 1.2153 | 0.9514 | 0.8033 | 0.8043 | 0.7228 | 0.9486 | 0.9161 | 1.1177 | 0.7292 | 0.8921 | 0.5737 | 0.7154 | 0.6760 | 0.6911 | 0.8169 | 0.5882 | 0.8721 | 0.7316 | 0.5925 | 0.7976 | 0.6559 | 0.8307 | 0.8307 | 0.8307 | 0.8307 | 0.8342 | 0.8899 | 0.8089 | 0.7968 | 1.9215 | 0.8003 | 1.2086 | 1.5902 | 1.6888 | 1.9007 |
| Glycochenodeoxycholic acid | 0.3276 | 0.4624 | 0.0323 | 0.0337 | 0.2918 | 0.7708 | NA | 0.0168 | 0.3250 | 0.3248 | NA | 0.0002 | 1.6903 | 1.3650 | 0.1229 | 0.4963 | 2.0811 | 1.7628 | 0.2279 | 0.0786 | 1.6786 | 1.4059 | 0.2466 | 0.0431 | 1.0692 | 1.8335 | 0.1949 | 0.6531 | 1.4268 | 3.3223 | 0.0920 | 0.3817 | 1.9430 | 2.4543 | 0.0704 | 0.2071 | 1.8208 | 11.6425 | 0.1774 | 0.2361 | 1.9610 | 1.8503 | 0.4647 | 0.2736 | 1.3287 | 8.2526 | 0.1332 | 0.1856 | NA | NA | 0.0122 | NA | NA | NA | 0.0229 | NA | NA | NA | 0.0140 | NA | 0.6372 | 0.6372 | 0.6372 | 0.6372 | 0.6178 | 0.5951 | 0.6213 | 0.6630 | 0.5553 | 0.1652 | 0.1551 | 0.3459 | 0.3948 | 0.5291 |
| Glycocholic acid | 1.2693 | 1.1064 | 0.0491 | 0.0241 | 1.1658 | 1.8158 | 0.1758 | NA | 1.3929 | 1.5690 | 0.0003 | NA | 2.2206 | 1.6678 | 0.2836 | 0.2209 | 2.5385 | 1.8310 | 0.1758 | 0.0800 | 1.8106 | 2.0330 | 0.2055 | 0.0847 | 2.6068 | 1.6830 | 0.0547 | 0.2561 | 2.4038 | 2.0723 | 0.0195 | 0.1678 | 5.5195 | 2.2144 | 0.0247 | 0.2765 | 1.4170 | 10.7371 | 0.0658 | 0.1659 | 1.7284 | 1.2251 | 0.4187 | 0.1758 | 1.2090 | 4.9562 | 0.1480 | 0.0433 | NA | 0.1313 | 0.0423 | 0.0127 | 0.0148 | 0.1458 | 0.0553 | 0.0377 | 0.0154 | 0.0973 | NA | NA | 0.5966 | 0.5966 | 0.5966 | 0.5966 | 0.6699 | 0.5923 | 0.7181 | 0.7097 | 0.6377 | 0.0281 | 0.1792 | 0.3448 | 0.4032 | 0.4678 |
| Glycodeoxycholic acid | 0.2455 | 0.2883 | 0.0190 | NA | 0.2072 | 0.4608 | 0.0103 | 0.0077 | 0.2537 | 0.3058 | NA | NA | 0.1632 | 0.1155 | 0.0008 | 0.0483 | 0.2421 | 0.1234 | 0.0023 | 0.0005 | 0.1872 | 0.1460 | 0.0009 | 0.0001 | 0.6893 | 1.3182 | 0.0084 | 0.0380 | 0.7675 | 1.7688 | 0.0030 | 0.0229 | 1.5240 | 1.8161 | 0.0012 | 0.0349 | 3.5179 | 14.8473 | 0.1562 | 0.3258 | 4.1853 | 3.6306 | 0.3986 | 0.2222 | 3.4303 | 12.2589 | 0.1174 | 0.1267 | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.0050 | NA | NA | 0.4911 | 0.4911 | 0.4911 | 0.4911 | 0.4884 | 0.4387 | 0.5483 | 0.5083 | 0.5702 | 0.0759 | 0.1758 | 0.3246 | 0.3762 | 0.4860 |
| Glycolithocholic acid | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.3285 | NA | NA | NA | 0.3416 | 0.2121 | NA | NA | 0.2959 | NA | NA | NA | 1.4854 | 1.7784 | 0.1699 | 0.5335 | 1.3436 | 3.0374 | NA | 0.4237 | 1.3368 | 2.9807 | NA | NA | 1.9461 | 2.1503 | NA | NA | 2.6857 | 2.1363 | NA | NA | 2.2560 | 2.3900 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.3932 | 0.3932 | 0.3932 | 0.3932 | 0.3816 | 0.4437 | 0.4031 | 0.3966 | 0.3713 | NA | 0.0508 | 0.0933 | 0.2787 | 0.1762 |
| Gypsogenin | NA | NA | NA | NA | NA | 0.0081 | NA | NA | NA | NA | NA | NA | 1.5777 | 1.0346 | 5.1881 | 1.3068 | 1.9330 | 1.0611 | 7.5053 | 2.1394 | 1.5238 | 1.2246 | 5.1343 | 1.6537 | 0.1026 | 0.1856 | 0.3596 | 0.7994 | 0.1015 | 0.2476 | 0.1940 | 0.6975 | 0.0428 | 0.3326 | 0.2733 | 0.5436 | 0.6790 | 0.5257 | 1.0008 | 0.7982 | 0.7903 | 0.6934 | 0.9085 | 0.8408 | 0.8506 | 0.5639 | 0.6173 | 0.6804 | NA | NA | NA | NA | NA | NA | 0.0005 | NA | NA | NA | NA | NA | 0.7305 | 0.7305 | 0.7305 | 0.7305 | 0.7848 | 0.6206 | 0.6817 | 0.7384 | 0.5391 | 0.1000 | 0.1723 | 0.3708 | 0.4178 | 0.5323 |
| Hederagenin | 0.0148 | 0.1521 | 0.0414 | 0.1366 | 0.0324 | 0.1766 | 0.0607 | 0.0475 | 0.0852 | 0.0683 | 0.0123 | 0.0697 | 1.9201 | 0.9278 | 1.6974 | 1.4446 | 2.2333 | 1.3281 | 3.8251 | 1.6541 | 3.3644 | 1.2084 | 2.7680 | 1.4911 | 0.8306 | 1.2429 | 1.3189 | 3.0998 | 0.9214 | 1.5545 | 0.6204 | 2.2759 | 0.6776 | 1.7717 | 0.8832 | 1.8520 | 0.9033 | 0.8378 | 1.0230 | 1.0596 | 1.1100 | 1.0279 | 1.3955 | 1.0397 | 0.9725 | 0.8130 | 0.8089 | 0.6901 | NA | NA | NA | NA | NA | NA | NA | 0.0132 | NA | NA | NA | NA | 0.7927 | 0.7927 | 0.7927 | 0.7927 | 0.6876 | 0.8649 | 0.8982 | 0.7832 | 0.8429 | 0.1428 | 0.2384 | 0.5199 | 0.6482 | 0.7003 |
| Heptylic acid | 0.0688 | 0.0787 | 0.1338 | 0.1023 | 0.1082 | 0.0472 | 0.1574 | 0.2478 | 0.3009 | 0.0787 | 0.2675 | 0.0964 | 0.4209 | 0.4190 | 4.7856 | 0.4721 | 0.5409 | 0.5252 | 4.1090 | 0.3442 | 0.4091 | 0.3639 | 1.5382 | 0.4268 | 0.6334 | 1.7722 | 0.8969 | 1.3434 | 0.7986 | 0.8832 | 0.5724 | 1.1035 | 0.5980 | 2.1912 | 0.8635 | 0.8832 | 1.3100 | 0.8635 | 3.8710 | 3.6192 | 1.2569 | 1.0307 | 3.7018 | 3.8002 | 1.5519 | 1.0681 | 3.3438 | 3.2593 | NA | NA | 0.0138 | 0.0177 | 0.0216 | 0.0236 | 0.0079 | NA | NA | NA | 0.0098 | NA | 0.9382 | 0.9382 | 0.9382 | 0.9382 | 0.9815 | 1.0110 | 0.9894 | 0.9146 | 0.8910 | 0.1731 | 0.2341 | 0.4013 | 0.5606 | 0.7376 |
| Hexadecanedioic acid | 0.6218 | 0.6306 | 0.6721 | 0.7092 | 0.5906 | 0.6374 | 0.6382 | 0.7562 | 0.5689 | 0.6337 | 0.7207 | 0.7902 | 0.8450 | 0.8780 | 1.1415 | 0.9605 | 0.8256 | 0.7766 | 1.2905 | 0.8825 | 0.8791 | 0.7854 | 1.1001 | 0.9045 | 0.8287 | 0.9829 | 1.9334 | 2.6818 | 0.8260 | 1.1444 | 1.6855 | 2.7576 | 1.6085 | 1.0655 | 1.8136 | 2.7158 | 1.1230 | 1.0983 | 1.4057 | 1.3873 | 1.2164 | 1.2199 | 1.3781 | 1.3644 | 1.1276 | 1.1502 | 1.4079 | 1.2539 | 0.0464 | 0.5975 | 0.5677 | 0.6039 | 0.5500 | 0.5308 | 0.5009 | 0.6219 | 0.4912 | 0.5319 | 0.5596 | 0.5389 | 1.0791 | 1.0791 | 1.0791 | 1.0791 | 1.0814 | 1.1235 | 1.0218 | 1.0779 | 0.9520 | 0.6341 | 0.6778 | 0.8137 | 0.8606 | 0.8847 |
| Hyodeoxycholic acid or Ursodeoxycholic acid | 0.2733 | 0.2456 | 0.2711 | 0.2449 | 0.2646 | 0.2932 | 0.3061 | 0.1550 | 0.2742 | 0.3038 | 0.3174 | 0.3329 | 0.7425 | 0.4348 | 0.9291 | 0.7328 | 0.7018 | 0.4209 | 1.3267 | 0.7308 | 0.6617 | 0.4767 | 1.0101 | 0.6055 | 1.0110 | 1.5336 | 0.0125 | 1.3630 | 0.9671 | 1.6842 | 0.6697 | 1.3682 | 0.8537 | 1.7904 | 0.0139 | 1.3196 | 1.8160 | 1.4226 | 3.3688 | 1.9166 | 1.8215 | 1.4841 | 3.2786 | 2.0293 | 1.7136 | 1.4519 | 3.2171 | 1.9140 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0517 | 1.0517 | 1.0517 | 1.0517 | 1.0271 | 1.0834 | 1.0338 | 1.0460 | 0.8660 | 0.2474 | 0.3493 | 0.5790 | 0.7040 | 0.7805 |
| Ibuprofen | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 2.1718 | 0.9691 | 3.1167 | 2.1857 | 1.8102 | 0.6784 | 5.7800 | 1.7202 | 1.2270 | 1.1474 | 2.7377 | 2.0594 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.9258 | 0.6351 | 0.9345 | 0.5434 | 0.8912 | 0.7511 | 0.5901 | 0.5347 | 0.8012 | 0.5624 | 0.7061 | 0.6265 | 0.0415 | NA | NA | NA | NA | NA | NA | NA | NA | 0.0208 | NA | NA | 0.5659 | 0.5659 | 0.5659 | 0.5659 | 0.5105 | 0.4759 | 0.6438 | 0.5520 | 0.4240 | 0.0433 | 0.0519 | 0.2267 | 0.2855 | 0.3548 |
| Isoallolithocholic acid | 0.1082 | 0.2116 | 0.0581 | 0.0489 | 0.1536 | 0.2814 | 0.0603 | 0.0219 | 0.1150 | 0.2196 | 0.0955 | 0.0433 | 0.5811 | 0.4025 | 0.3813 | 0.0947 | 0.6402 | 0.4884 | 0.6816 | 0.0789 | 0.5381 | 0.4270 | 0.4942 | 0.0602 | 0.4470 | 0.6842 | 0.6410 | 1.3842 | 0.4391 | 0.9606 | 0.3120 | 1.0930 | 0.2016 | 0.9562 | 0.5009 | 0.9006 | 3.3384 | 3.1640 | 2.3690 | 2.1058 | 4.0752 | 4.1624 | 3.0844 | 2.6376 | 4.0496 | 2.8921 | 1.7110 | 2.1620 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0105 | 1.0105 | 1.0105 | 1.0105 | 1.0232 | 1.0185 | 1.0203 | 1.0054 | 0.8787 | 0.2066 | 0.3119 | 0.5084 | 0.6592 | 0.7680 |
| Isolithocholic acid | 0.3309 | 0.3106 | 0.0611 | 0.0244 | 0.5536 | 0.3872 | 0.0593 | 0.0070 | 0.3622 | 0.3222 | 0.0594 | 0.0083 | 1.7180 | 0.5450 | 0.2863 | 0.0268 | 1.8060 | 0.6787 | 0.4528 | 0.0289 | 1.5586 | 0.5513 | 0.4441 | 0.0255 | 1.0810 | 0.8705 | 0.6263 | 0.4907 | 1.1063 | 1.2384 | 0.3211 | 0.4045 | 0.5462 | 1.2381 | 0.4997 | 0.3796 | 5.5935 | 2.6311 | 2.5904 | 0.6817 | 6.4937 | 3.4363 | 3.4040 | 0.8680 | 6.4029 | 2.4656 | 2.1470 | 0.8430 | 0.0000 | NA | 0.0001 | NA | 0.0001 | NA | NA | NA | 0.0002 | 0.0002 | 0.0003 | NA | 0.9171 | 0.9171 | 0.9171 | 0.9171 | 0.9259 | 0.9218 | 0.9215 | 0.9277 | 0.8683 | 0.2857 | 0.4061 | 0.5807 | 0.7342 | 0.7907 |
| Juniperic acid | 0.8210 | 0.8877 | 0.6724 | 0.5905 | 0.9087 | 0.9045 | 0.6276 | 0.7087 | 0.9387 | 0.9215 | 0.6716 | 0.7049 | 1.2241 | 0.9774 | 1.1396 | 1.1395 | 1.0818 | 0.9886 | 1.5351 | 1.2119 | 1.2863 | 1.0693 | 1.1554 | 1.2576 | 1.2740 | 1.4449 | 0.9918 | 1.2848 | 1.1083 | 1.6301 | 0.6834 | 1.1901 | 1.7468 | 1.5753 | 0.6939 | 1.1241 | 1.3029 | 1.2099 | 1.0328 | 0.9085 | 1.1731 | 1.2296 | 1.0534 | 0.9022 | 0.9408 | 1.3182 | 0.9578 | 0.9103 | 0.7744 | 0.8028 | 0.8193 | 0.7715 | 0.6762 | 0.7256 | 0.6698 | 1.0433 | 0.6712 | 0.7293 | 0.7784 | 0.7590 | 1.0367 | 1.0367 | 1.0367 | 1.0367 | 0.8924 | 1.0956 | 1.0037 | 1.1565 | 0.9799 | 1.0147 | 0.8467 | 0.8745 | 0.8576 | 0.7991 |
| Lauric acid | 0.0073 | 0.0063 | 0.0098 | 0.0088 | 0.0060 | 0.0070 | 0.0074 | 0.0101 | 0.0121 | 0.0071 | 0.0092 | 0.0139 | 6.4518 | 5.1769 | 3.9064 | 2.9649 | 6.3013 | 5.3178 | 6.0980 | 3.2098 | 5.9277 | 4.9214 | 4.4923 | 3.0548 | 0.1581 | 0.2558 | 0.0371 | 0.0126 | 0.1762 | 0.3500 | 0.0242 | 0.0111 | 0.3555 | 0.4294 | 0.0278 | 0.0096 | 0.0235 | 0.0202 | 0.0289 | 0.0300 | 0.0261 | 0.0240 | 0.0322 | 0.0326 | 0.0254 | 0.0191 | 0.0257 | 0.0254 | 0.0007 | 0.0064 | 0.0059 | 0.0052 | 0.0062 | 0.0053 | 0.0047 | 0.0061 | 0.0051 | 0.0054 | 0.0059 | 0.0043 | 1.2354 | 1.2354 | 1.2354 | 1.2354 | 1.3432 | 1.2468 | 1.1694 | 1.2939 | 1.0612 | 0.1788 | 0.3041 | 0.5780 | 0.7864 | 0.9471 |
| Levulinic acid | 1.3278 | 1.0422 | 0.9936 | 1.0602 | 1.0887 | 1.3460 | 1.2226 | 1.2500 | 1.5245 | 1.1492 | 1.1119 | 1.2326 | 1.1932 | 1.2829 | 0.7254 | 0.7615 | 1.2878 | 1.1018 | 0.8452 | 0.7852 | 1.3226 | 1.0913 | 0.7957 | 0.7557 | 1.0965 | 1.2277 | 0.8502 | 0.9065 | 0.9476 | 1.3005 | 0.9261 | 0.7794 | 0.7269 | 1.2448 | 0.6770 | 0.7988 | 1.3586 | 1.4151 | 0.7012 | 0.9312 | 1.4404 | 1.2110 | 0.7529 | 0.7892 | 1.5691 | 1.5706 | 0.8059 | 0.6539 | 0.4119 | 0.8351 | 0.9345 | 0.7664 | 0.9112 | 0.7653 | 0.7459 | 0.8585 | 0.8212 | 0.7124 | 0.7890 | 0.7356 | 1.1692 | 1.1692 | 1.1692 | 1.1692 | 1.2294 | 1.2136 | 1.0890 | 1.2330 | 1.0709 | 0.5202 | 0.5104 | 0.6247 | 0.7155 | 0.8509 |
| Linoleic acid | 0.1807 | 0.2390 | 0.0216 | 0.2111 | 0.2242 | 0.4380 | 0.0229 | 0.0247 | 0.1425 | 0.2673 | 0.0223 | 0.0291 | 2.7987 | 2.4221 | 0.1816 | 0.4071 | 3.0312 | 3.3559 | 0.3214 | 0.4647 | 2.9611 | 2.4881 | 0.2489 | 0.4339 | 3.2731 | 4.1570 | 0.3945 | 0.6502 | 3.2709 | 4.8701 | 0.1931 | 0.5358 | 3.1859 | 5.5946 | 0.2810 | 0.5787 | 1.3022 | 1.1667 | 0.1340 | 0.1483 | 1.4088 | 1.4318 | 0.2188 | 0.1555 | 1.9146 | 1.0474 | 0.1012 | 0.1133 | NA | 0.0155 | 0.0444 | 0.0171 | 0.0171 | 0.0131 | 0.0186 | 0.0149 | 0.0284 | 0.0149 | 0.0141 | 0.0090 | 1.3416 | 1.3416 | 1.3416 | 1.3416 | 1.2715 | 1.2925 | 1.3266 | 1.3850 | 1.2234 | 0.4079 | 0.5714 | 0.8300 | 0.9528 | 1.0995 |
| Lithocholic acid | 0.2130 | 0.4459 | 0.1373 | 0.0636 | 0.3147 | 0.5889 | 0.1158 | 0.0106 | 0.2617 | 0.4741 | 0.1102 | 0.0135 | 1.1116 | 0.7554 | 0.3462 | 0.1082 | 1.2244 | 0.9192 | 0.5378 | 0.1538 | 1.0071 | 0.8391 | 0.4438 | 0.1006 | 1.0517 | 1.4921 | 0.5598 | 1.3022 | 1.1210 | 1.9224 | 0.3302 | 1.1370 | 0.5842 | 1.8785 | 0.5446 | 1.0290 | 2.9395 | 2.6810 | 2.8727 | 2.4795 | 3.1411 | 3.2204 | 3.3647 | 2.8707 | 3.1650 | 2.5380 | 2.3877 | 2.6056 | NA | 0.0005 | 0.0006 | 0.0004 | 0.0003 | 0.0006 | 0.0004 | 0.0006 | 0.0005 | 0.0007 | 0.0004 | 0.0003 | 1.3456 | 1.3456 | 1.3456 | 1.3456 | 1.3658 | 1.3384 | 1.3481 | 1.3091 | 1.1223 | 0.3174 | 0.4856 | 0.7791 | 0.9612 | 1.0699 |
| L-Urobilin | 0.8872 | 0.8744 | 0.1154 | 0.1126 | 0.8249 | 1.1683 | 0.1338 | 0.1095 | 0.8391 | 1.0426 | 0.0816 | 0.1009 | 2.1679 | 1.6229 | 0.4042 | 0.2600 | 1.9904 | 1.4204 | 0.5381 | 0.2679 | 1.9681 | 1.6147 | 0.4535 | 0.2812 | 1.6089 | 2.7290 | 0.1915 | 0.5929 | 1.5003 | 2.9414 | 0.1947 | 0.5491 | 1.5388 | 3.0504 | 0.2099 | 0.4916 | 3.5780 | 3.1161 | 0.8003 | 0.3937 | 4.1025 | 3.9032 | 0.7226 | 0.4156 | 3.7142 | 3.2799 | 0.6973 | 0.3962 | NA | 0.0004 | 0.0002 | 0.0004 | 0.0005 | 0.0003 | 0.0002 | 0.0003 | 0.0002 | 0.0006 | 0.0004 | 0.0002 | 1.1525 | 1.1525 | 1.1525 | 1.1525 | 1.1185 | 1.1310 | 1.1615 | 1.1310 | 0.9635 | 0.2651 | 0.3729 | 0.6266 | 0.7758 | 0.8425 |
| Margaric acid | 0.6278 | 0.6426 | 0.3010 | 0.4572 | 0.4649 | 0.8643 | 0.2455 | 0.4981 | 0.3636 | 0.5365 | 0.3894 | 0.6186 | 1.4573 | 1.7890 | 1.4887 | 1.2054 | 1.6602 | 2.3600 | 2.0009 | 1.4664 | 2.0421 | 1.4669 | 2.4571 | 1.7108 | 1.1339 | 1.1883 | 1.1936 | 1.2824 | 1.0117 | 1.1888 | 0.6679 | 1.1985 | 0.1872 | 1.4054 | 1.1328 | 0.8419 | 1.7040 | 1.3230 | 1.2568 | 0.9723 | 1.4033 | 1.9633 | 1.6819 | 1.3865 | 2.1424 | 1.1818 | 1.0479 | 1.4013 | 0.0121 | 0.1565 | 0.1622 | 0.1883 | 0.1385 | 0.1063 | 0.1118 | 0.1217 | 0.1813 | 0.1572 | 0.1594 | 0.1045 | 1.1517 | 1.1517 | 1.1517 | 1.1517 | 1.4403 | 1.3337 | 1.4876 | 1.1620 | 1.1420 | 0.5361 | 0.5957 | 1.0950 | 0.9644 | 1.0252 |
| Maslinic acid | 0.0005 | 1.7268 | 0.0014 | 1.7133 | 0.0013 | 1.8055 | 0.0017 | 1.6610 | 0.0014 | 1.7847 | 0.0011 | 1.6784 | 0.0520 | 1.7645 | 0.0503 | 1.6932 | 0.0567 | 1.7218 | 0.0847 | 2.0120 | 0.0528 | 1.8320 | 0.0709 | 1.8310 | 0.0030 | 1.6333 | 0.0047 | 2.0215 | 0.0031 | 1.7344 | 0.0028 | 1.9437 | 0.0025 | 1.6406 | 0.0032 | 1.7613 | 0.1399 | 1.7283 | 0.1491 | 1.9269 | 0.1719 | 1.7194 | 0.2081 | 1.9535 | 0.1469 | 1.7563 | 0.1156 | 1.7330 | NA | 1.6930 | 0.0005 | 1.6708 | 0.0006 | 1.6896 | 0.0003 | 1.6919 | 0.0006 | 1.6434 | 0.0002 | 1.5739 | 1.4915 | 1.4915 | 1.4915 | 1.4915 | 1.5353 | 1.4681 | 1.4836 | 1.5283 | 1.3972 | 0.7723 | 0.9737 | 1.1596 | 1.3058 | 1.3432 |
| Myristic acid | 0.1149 | 0.1234 | 0.1553 | 0.1397 | 0.1056 | 0.1327 | 0.0940 | 0.1117 | 0.1065 | 0.1119 | 0.1128 | 0.1586 | 5.3365 | 3.8394 | 2.1449 | 1.7069 | 4.9603 | 5.2385 | 4.0696 | 2.1867 | 4.9679 | 4.5562 | 2.9495 | 2.0215 | 0.4865 | 0.7958 | 0.3608 | 0.3697 | 0.6396 | 1.1516 | 0.2125 | 0.2490 | 1.6587 | 1.2359 | 0.2815 | 0.2017 | 0.4577 | 0.4418 | 0.3765 | 0.2582 | 0.5192 | 0.5096 | 0.4751 | 0.3032 | 0.5067 | 0.3982 | 0.3226 | 0.2650 | 0.0025 | 0.0707 | 0.0782 | 0.0741 | 0.0686 | 0.0706 | 0.0533 | 0.0731 | 0.0700 | 0.0719 | 0.0614 | 0.0542 | 1.3478 | 1.3478 | 1.3478 | 1.3478 | 1.3590 | 1.3795 | 1.3481 | 1.3678 | 1.1300 | 0.3122 | 0.4514 | 0.7467 | 0.8656 | 0.9781 |
| Myristoleic acid | 0.0419 | 0.0292 | 2.4677 | 1.5722 | 0.0361 | 0.0265 | 1.2436 | 1.1639 | 0.0572 | 0.0229 | 0.9268 | 1.6345 | 0.0315 | 0.0198 | 0.1295 | 7.9155 | 0.0204 | 0.0044 | 0.1756 | 10.2594 | 0.0077 | 0.0075 | 0.0820 | 8.2759 | 0.0365 | 0.0784 | 1.7105 | 0.3331 | 0.0617 | 0.0488 | 1.2526 | 0.3352 | 16.1182 | 0.0653 | 1.5259 | 0.4347 | 0.0332 | 0.0215 | 0.8304 | 0.8982 | 0.0438 | NA | 1.2534 | 1.1640 | 0.0363 | 0.0396 | 0.8907 | 1.0645 | 0.0038 | 0.0605 | 0.0376 | 0.0449 | 0.0436 | 0.0546 | 0.0438 | 0.0442 | 0.0546 | 0.0451 | 0.0328 | 0.0336 | 0.7418 | 0.7418 | 0.7418 | 0.7418 | 0.7509 | 0.7999 | 0.7507 | 0.4902 | 0.5605 | 0.1525 | 0.2593 | 0.3919 | 0.3951 | 0.5544 |
| N-Acetyltyrosine | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.1474 | 0.4495 | NA | 0.7995 | 0.9395 | 1.6837 | 0.3021 | 0.7553 | 0.9616 | 0.9690 | 0.4090 | 1.0758 | 0.4053 | 0.8806 | 0.4605 | 0.7958 | 1.1937 | 2.3653 | 0.3463 | 0.6742 | 1.3448 | 1.5253 | 0.4090 | 0.5600 | 2.7743 | 4.5944 | 0.2432 | 0.6116 | 0.7553 | 1.5953 | 1.2527 | 1.0832 | 1.0390 | 0.5895 | 1.0832 | 0.5305 | 0.7737 | 0.8069 | 2.4390 | NA | NA | NA | 0.1547 | NA | NA | NA | NA | NA | NA | NA | NA | 1.0132 | 1.0132 | 1.0132 | 1.0132 | 0.9911 | 1.0095 | 0.9837 | 1.0574 | 0.4200 | NA | NA | 1.1569 | NA | 0.5490 |
| Nervonic acid | 1.0105 | 0.4971 | 0.1406 | 0.4901 | 0.1907 | 0.9932 | 0.3476 | 0.8251 | 0.2998 | 0.4621 | 0.5988 | 0.4065 | 0.7933 | 1.1071 | 0.8905 | 0.4098 | 0.9717 | 2.5435 | 1.6432 | 0.9164 | 1.9369 | 0.9803 | 3.9401 | 1.5158 | 1.1938 | 1.2024 | 1.3500 | 1.2357 | 0.7163 | 0.8589 | 0.4779 | 0.3955 | 2.4702 | 1.5032 | 0.7130 | 0.2463 | 2.5360 | 2.8013 | 1.3111 | 1.3109 | 0.8929 | 1.8194 | 1.2482 | 1.1932 | 2.1161 | 1.2817 | 1.7923 | 1.3916 | NA | 0.0193 | 0.0161 | 0.0162 | 0.0197 | 0.0136 | 0.0086 | 0.0132 | 0.0154 | 0.0160 | 0.0168 | 0.0047 | 1.3013 | 1.3013 | 1.3013 | 1.3013 | 1.3138 | 1.1997 | 1.2591 | 1.3150 | 1.0657 | 0.7552 | 0.8464 | 1.6473 | 1.2434 | 1.0209 |
| N-Formylmethionine | 0.0063 | 0.0505 | 8.0529 | 2.9410 | NA | NA | 12.1362 | 7.2041 | 0.0063 | NA | 2.6854 | 1.8775 | 0.1168 | 0.0221 | 0.0536 | 0.3187 | 0.0757 | 0.0694 | 0.1136 | 1.1581 | 0.0600 | 0.0284 | 0.0095 | 0.1893 | 0.0126 | 0.1420 | 0.2966 | 1.8271 | 0.1010 | 0.0600 | 1.7355 | 0.2335 | 0.4481 | 0.0694 | 0.6816 | 1.6567 | 0.0347 | 0.1893 | 0.0600 | 1.0539 | 0.0757 | 0.1452 | 0.0600 | 0.1452 | 0.1452 | 0.1799 | 0.1104 | 0.1325 | NA | 0.0221 | NA | NA | NA | 0.0032 | 0.0189 | NA | NA | NA | NA | NA | 1.1896 | 1.1896 | 1.1896 | 1.1896 | 1.1865 | 1.2622 | 1.2401 | 1.2243 | 0.9404 | 0.8078 | 1.1391 | 1.0066 | 0.8204 | 0.7984 |
| Nonadeca-10Z-enoic acid | 0.2196 | 0.1872 | 0.1894 | 0.6642 | 0.2620 | 0.3608 | 0.1460 | 0.3889 | 0.1006 | 0.1964 | 0.2592 | 0.8611 | 2.4046 | 1.7683 | 1.0207 | 0.9938 | 2.2142 | 3.4975 | 1.4947 | 1.2082 | 2.2654 | 1.6508 | 1.5224 | 1.1395 | 1.3371 | 1.7549 | 0.9141 | 0.9928 | 1.0898 | 2.2677 | 0.3678 | 0.7423 | 2.2391 | 2.6316 | 0.7363 | 0.6894 | 2.2951 | 2.9461 | 0.4700 | 0.3109 | 2.2066 | 2.9247 | 0.7732 | 0.4013 | 3.1080 | 1.9869 | 0.3279 | 0.3703 | NA | 0.0475 | 0.0474 | 0.0435 | 0.0316 | 0.0203 | 0.0318 | 0.0306 | 0.0396 | 0.0312 | 0.0346 | 0.0225 | 1.1075 | 1.1075 | 1.1075 | 1.1075 | 1.3061 | 1.1518 | 1.1965 | 1.2936 | 1.1137 | 0.3268 | 0.4120 | 0.7751 | 0.7858 | 0.9287 |
| Nonadecylic acid | 0.4160 | 0.3104 | 0.1900 | 0.2867 | 0.2509 | 0.3919 | 0.0795 | 0.3511 | 0.2234 | 0.2880 | 0.2517 | 0.3335 | 1.2053 | 1.4131 | 1.0509 | 0.8775 | 1.6103 | 2.9572 | 2.4130 | 1.9103 | 2.1207 | 1.4851 | 3.7360 | 1.5557 | 1.1361 | 1.2372 | 1.0727 | 1.7638 | 0.7194 | 1.2818 | 0.5470 | 1.3219 | 4.8390 | 1.5099 | 0.7885 | 0.7949 | 1.7944 | 2.0196 | 1.0616 | 1.1895 | 1.4038 | 1.8321 | 1.5169 | 1.5157 | 1.7378 | 1.6036 | 0.9740 | 1.2387 | 0.0009 | 0.0704 | 0.0710 | 0.0933 | 0.0692 | 0.0410 | 0.0535 | 0.0551 | 0.0775 | 0.0620 | 0.0802 | 0.0628 | 1.1398 | 1.1398 | 1.1398 | 1.1398 | 1.1192 | 1.0853 | 1.2778 | 1.1717 | 0.8056 | 0.3993 | 0.4241 | 0.3442 | 0.7348 | 0.7334 |
| Oleanoic acid/Ursolic acid | 0.0242 | 0.9222 | 0.0208 | 0.8685 | 0.0303 | 1.0694 | 0.0203 | 0.8709 | 0.0341 | 0.9218 | 0.0224 | 0.7931 | 1.0259 | 1.4500 | 1.0696 | 1.5453 | 1.2046 | 1.8682 | 1.8556 | 2.0801 | 1.6961 | 1.7373 | 1.6765 | 1.8194 | 0.0440 | 0.8511 | 0.0811 | 1.4432 | 0.0478 | 0.9701 | 0.0323 | 1.1919 | 0.0194 | 0.9246 | 0.0514 | 0.9255 | 1.4760 | 1.8942 | 1.6680 | 2.3101 | 1.6163 | 2.2251 | 1.9972 | 2.6368 | 1.5089 | 1.9818 | 1.0629 | 2.0310 | NA | 0.7410 | NA | 0.9553 | 0.0001 | 0.8105 | 0.0001 | 0.8546 | NA | 0.7913 | 0.0000 | 0.6650 | 1.1187 | 1.1187 | 1.1187 | 1.1187 | 1.1099 | 1.1668 | 1.1255 | 1.1318 | 0.8630 | 0.2369 | 0.3583 | 0.5768 | 0.7128 | 0.8082 |
| Oleic acid | 0.2248 | 0.3429 | 0.1237 | 0.3128 | 0.2387 | 0.4573 | 0.0816 | 0.2819 | 0.1272 | 0.2772 | 0.1772 | 0.3346 | 2.5827 | 1.8712 | 0.7295 | 0.5733 | 2.3827 | 3.4882 | 1.0762 | 0.4619 | 2.6358 | 1.8119 | 0.7418 | 0.7519 | 2.1735 | 3.0296 | 0.8570 | 0.7161 | 2.3543 | 4.2527 | 0.2952 | 0.6149 | 0.1773 | 4.3668 | 0.7735 | 0.5681 | 2.0884 | 1.6832 | 0.4501 | 0.2017 | 2.0527 | 3.5779 | 0.5338 | 0.3774 | 3.8170 | 1.3548 | 0.3644 | 0.4364 | 0.0016 | 0.0401 | 0.0668 | 0.0436 | 0.0337 | 0.0277 | 0.0211 | 0.0356 | 0.0456 | 0.0358 | 0.0224 | 0.0188 | 1.1228 | 1.1228 | 1.1228 | 1.1228 | 1.2297 | 1.1739 | 1.2522 | 1.1417 | 1.0893 | 0.5797 | 0.6566 | 0.8905 | 0.9273 | 0.9707 |
| Oxypurinol | 0.2024 | 0.1778 | 3.1851 | 4.4906 | 0.2191 | 0.2189 | 3.0301 | 4.4448 | 0.2338 | 0.1973 | 2.6631 | 4.3799 | 0.6157 | 0.3334 | 0.2144 | 0.1688 | 0.6226 | 0.3106 | 0.2558 | 0.2950 | 0.6093 | 0.3071 | 0.1556 | 0.2004 | 0.6599 | 1.2913 | 2.2270 | 1.7830 | 0.6672 | 1.2857 | 2.6998 | 1.5764 | 0.7300 | 1.3367 | 1.8003 | 1.7571 | 1.2120 | 1.5255 | 0.2615 | 0.3901 | 1.4341 | 1.2885 | 0.2738 | 0.2585 | 1.3401 | 1.6247 | 0.2344 | 0.2373 | 0.0002 | NA | 0.0000 | 0.0001 | NA | 0.0001 | NA | 0.0000 | NA | NA | 0.0000 | 0.0003 | 1.0571 | 1.0571 | 1.0571 | 1.0571 | 1.0550 | 1.0491 | 1.0283 | 1.0528 | 1.1150 | 0.4915 | 0.7148 | 0.8208 | 0.9737 | 1.0432 |
| Palmitic acid | 0.5240 | 0.5171 | 0.3677 | 0.4636 | 0.4215 | 0.5918 | 0.2934 | 0.4649 | 0.3620 | 0.4662 | 0.4422 | 0.5171 | 2.4652 | 1.9497 | 1.1704 | 1.0210 | 2.7285 | 2.7294 | 1.9897 | 1.1885 | 2.6245 | 1.9708 | 1.6713 | 1.2807 | 1.1523 | 1.4736 | 0.6597 | 0.9482 | 1.1399 | 1.9886 | 0.4263 | 0.7432 | 1.6948 | 1.9776 | 0.6248 | 0.6385 | 1.4677 | 1.2975 | 0.8016 | 0.5987 | 1.5500 | 1.6830 | 1.0412 | 0.7655 | 1.7832 | 1.2197 | 0.6819 | 0.7121 | 0.0376 | 0.3502 | 0.3636 | 0.3585 | 0.3469 | 0.2916 | 0.2614 | 0.3308 | 0.3472 | 0.3565 | 0.3129 | 0.2603 | 1.1835 | 1.1835 | 1.1835 | 1.1835 | 1.2194 | 1.2295 | 1.1989 | 1.2308 | 1.2697 | 0.6332 | 0.6639 | 0.9088 | 0.9675 | 1.0357 |
| Palmitoleic acid | 0.1506 | 0.1815 | 0.7500 | 1.3645 | 0.1362 | 0.2930 | 0.4106 | 0.6594 | 0.1096 | 0.1714 | 0.3741 | 1.3655 | 0.9406 | 0.5946 | 0.2165 | 0.6445 | 1.0361 | 0.8225 | 0.3703 | 0.5968 | 0.8081 | 0.7744 | 0.2188 | 0.6303 | 1.3104 | 1.9954 | 1.1226 | 0.7768 | 1.3505 | 2.9262 | 0.4829 | 0.6464 | 21.3103 | 3.2539 | 0.9818 | 0.6194 | 1.2535 | 1.2342 | 0.5524 | 0.3967 | 1.4461 | 1.8906 | 0.7466 | 0.6027 | 1.4835 | 1.0463 | 0.5131 | 0.6385 | 0.0003 | 0.0514 | 0.0539 | 0.0438 | 0.0703 | 0.0465 | 0.0306 | 0.0452 | 0.0649 | 0.0511 | 0.0456 | 0.0239 | 0.9618 | 0.9618 | 0.9618 | 0.9618 | 0.9621 | 0.9127 | 0.8563 | 0.9804 | 0.9822 | 0.2513 | 0.3537 | 0.5841 | 0.7105 | 0.8311 |
| Palmitoyl-EA | 0.6823 | 0.3366 | 1.2991 | 0.8632 | 0.2415 | 0.5666 | 0.4883 | 0.9661 | 0.2457 | 0.4850 | 1.2549 | 1.3595 | 1.5825 | 1.4331 | 3.3733 | 0.7099 | 1.3311 | 1.4421 | 1.0049 | 0.4006 | 1.7427 | 4.1415 | 0.9660 | 0.4272 | 0.9414 | 1.2188 | 0.6201 | 0.4854 | 1.1400 | 1.8331 | 0.1811 | 0.3150 | 17.3562 | 1.8533 | 0.7118 | 0.3149 | 0.8031 | 0.9527 | 0.6867 | 0.2318 | 0.3540 | 0.7722 | 0.7514 | 0.4222 | 0.6401 | 0.2490 | 0.6274 | 0.4559 | 0.2199 | 0.4376 | 0.1975 | 0.1487 | 0.5709 | 0.2475 | 0.1056 | 0.5225 | 0.3355 | 0.1949 | 0.2219 | 0.2189 | 0.8016 | 0.8016 | 0.8016 | 0.8016 | 0.7415 | 0.9270 | 0.6075 | 0.8555 | 0.6695 | 0.2895 | 0.4160 | 0.3734 | 0.6311 | 0.5996 |
| Pentadecylic acid | 0.5825 | 0.6857 | 0.3142 | 0.2772 | 0.6218 | 0.7474 | 0.2536 | 0.2583 | 0.6100 | 0.6544 | 0.2376 | 0.3550 | 1.4195 | 1.3630 | 1.4796 | 1.0607 | 1.4934 | 1.2591 | 2.3646 | 1.6878 | 1.6050 | 1.3854 | 2.1613 | 1.4176 | 0.2530 | 0.2868 | 0.8635 | 0.6544 | 0.2933 | 0.2843 | 0.7855 | 0.6989 | 3.5305 | 0.2748 | 0.7861 | 0.5569 | 2.2427 | 2.3579 | 1.7407 | 1.8600 | 2.4189 | 2.2506 | 2.2338 | 1.6670 | 1.9479 | 2.2908 | 1.3837 | 1.3612 | 0.0019 | 0.1652 | 0.1661 | 0.1609 | 0.1559 | 0.1488 | 0.1313 | 0.1258 | 0.1607 | 0.1524 | 0.1472 | 0.1306 | 1.2026 | 1.2026 | 1.2026 | 1.2026 | 1.2072 | 1.2179 | 1.1738 | 1.2335 | 1.1749 | 0.5450 | 0.6787 | 0.9004 | 0.9916 | 1.1020 |
| Phenyllactic acid | 0.0043 | 0.0030 | 7.8303 | 10.5491 | 0.0065 | 0.0064 | 8.1404 | 9.0480 | 0.0049 | 0.0036 | 10.5090 | 9.2170 | 0.0362 | 0.0233 | 0.1066 | 0.5156 | 0.0369 | 0.0189 | 0.2837 | 0.2400 | 0.0330 | 0.0211 | 0.3086 | 0.4847 | 0.0573 | 0.0892 | 0.4428 | 0.2208 | 0.0530 | 0.0973 | 0.3071 | 0.2049 | 0.0430 | 0.1100 | 0.3857 | 0.1906 | 0.0233 | 0.0408 | 0.0600 | 0.0510 | 0.0359 | 0.0430 | 0.0517 | 0.0479 | 0.0233 | 0.0448 | 0.0588 | 0.0490 | 0.0019 | 0.0016 | 0.0022 | 0.0020 | 0.0025 | 0.0022 | 0.0114 | 0.0020 | 0.0020 | 0.0033 | 0.0024 | 0.0064 | 1.2587 | 1.2587 | 1.2587 | 1.2587 | 1.2610 | 1.3037 | 1.2618 | 1.2356 | 1.0128 | 0.1961 | 0.2885 | 0.5620 | 0.7503 | 0.8915 |
| Phytanic acid | 0.3956 | 0.2964 | 0.1885 | 0.2979 | 0.2976 | 0.5253 | 0.2424 | 0.4633 | 0.3743 | 0.3095 | 0.3286 | 0.3464 | 1.2423 | 1.5443 | 2.0228 | 0.7574 | 1.4713 | 2.4328 | 2.8470 | 1.5532 | 1.6584 | 1.1784 | 4.5227 | 1.2609 | 0.8808 | 0.8967 | 0.7808 | 1.4573 | 0.4710 | 0.9395 | 0.4179 | 1.0160 | 0.4773 | 1.4906 | 0.7183 | 1.0567 | 1.9540 | 2.3612 | 1.3647 | 1.7642 | 1.7023 | 1.8745 | 1.7557 | 1.4279 | 1.9427 | 1.8497 | 1.5043 | 1.4436 | 0.0925 | 0.2256 | 0.1249 | 0.1666 | 0.1715 | 0.1358 | 0.1392 | 0.1676 | 0.1415 | 0.1187 | 0.2234 | 0.1519 | 1.1474 | 1.1474 | 1.1474 | 1.1474 | 1.6469 | 1.0210 | 1.2103 | 1.3173 | 1.0231 | 0.5509 | 0.5559 | 0.2960 | 0.9162 | 0.9087 |
| Ribothymidine | 2.1686 | 1.2031 | 0.2315 | 0.2049 | 2.3850 | 1.3051 | 0.2945 | 0.2571 | 2.4326 | 2.0507 | 0.1928 | 0.2422 | 1.4038 | 1.6552 | 0.0224 | 0.0701 | 1.6906 | 0.9702 | 0.0475 | 0.1024 | 0.8363 | 1.8886 | 0.0204 | 0.0483 | 1.6975 | 1.0673 | 0.0504 | 0.1203 | 1.2404 | 0.8215 | 0.1484 | 0.1415 | 3.1769 | 1.4340 | 0.0500 | 0.1288 | 1.1964 | 2.5768 | 0.0388 | 0.4335 | 1.7863 | 1.1139 | 0.0259 | 0.0979 | 1.0609 | 2.1528 | 0.0236 | 0.1187 | 0.0019 | 2.2934 | 1.0463 | 1.2142 | 1.9442 | 1.4116 | 3.0368 | 1.8866 | 1.0778 | 1.2931 | 2.0065 | 2.8469 | 0.5999 | 0.5999 | 0.5999 | 0.5999 | 0.5647 | 0.6237 | 0.6422 | 0.5337 | 0.7077 | 1.5770 | 1.2420 | 1.3553 | 1.0000 | 0.8684 |
| Rotundic acid | NA | 0.6736 | 0.0233 | 0.5511 | 0.0173 | 0.6615 | NA | 0.6220 | 0.0143 | 0.8123 | NA | 0.7029 | 0.8822 | 1.4904 | 0.8394 | 1.5766 | 0.7855 | 1.1169 | 1.2191 | 1.2302 | 1.0157 | 1.2625 | 0.7237 | 1.2913 | 0.3387 | 1.3061 | 0.9691 | 1.5971 | 0.2087 | 1.3754 | 0.3412 | 1.6294 | 0.2082 | 1.4283 | 0.5265 | 1.3764 | 1.5798 | 1.8386 | 0.9546 | 2.1449 | 1.7454 | 2.0693 | 1.3812 | 2.1938 | 1.4330 | 1.8752 | 1.0994 | 1.9438 | NA | 0.5578 | NA | 0.8414 | NA | 0.7144 | NA | 1.0809 | NA | 0.4779 | NA | 0.9301 | 1.0628 | 1.0628 | 1.0628 | 1.0628 | 1.0541 | 0.9982 | 1.1159 | 1.0170 | 0.7317 | 0.1495 | 0.2244 | 0.4389 | 0.6585 | 0.6821 |
| Saccharin | 4.4483 | 4.1585 | 2.9595 | 3.6326 | 4.1107 | 5.8971 | 2.8114 | 3.4421 | 4.3086 | 4.6159 | 3.4739 | 3.5162 | 0.5493 | 0.5493 | 0.3017 | 0.3014 | 0.5128 | 0.3935 | 0.4019 | 0.3093 | 0.6440 | 0.4717 | 0.4510 | 0.3371 | 0.2904 | 0.2695 | 0.1696 | 0.1623 | 0.3132 | 0.3484 | 0.1093 | 0.3244 | 1.2241 | 0.3088 | 0.1231 | 0.1720 | 0.1973 | 0.2609 | 0.1795 | 0.2020 | 0.2424 | 0.3167 | 0.1657 | 0.1264 | 0.1652 | 0.1904 | 0.2186 | 0.1619 | 0.2422 | 0.1315 | 0.1546 | 0.1654 | 0.1456 | 0.1329 | 0.1601 | 0.1385 | 0.0936 | 0.1180 | 0.0779 | 0.1687 | 1.3326 | 1.3326 | 1.3326 | 1.3326 | 1.3114 | 1.2712 | 1.2292 | 1.2685 | 0.9079 | 0.0875 | 0.2037 | 0.4125 | 0.6306 | 0.7784 |
| Sebacic acid | 0.7222 | 0.7467 | 0.6679 | 0.6841 | 0.7000 | 0.7019 | 0.6933 | 0.6809 | 0.7623 | 0.6975 | 0.6868 | 0.6856 | 1.1660 | 1.1965 | 1.4759 | 1.1928 | 1.2390 | 1.1099 | 1.4222 | 1.2071 | 0.7796 | 1.0913 | 1.2600 | 1.1068 | 0.7619 | 0.9422 | 0.7877 | 1.0965 | 0.7507 | 0.6564 | 0.8008 | 0.8839 | 1.2346 | 0.9064 | 0.8311 | 1.0578 | 1.7545 | 1.5602 | 1.6590 | 2.3325 | 1.7404 | 1.4076 | 1.5860 | 1.5891 | 1.6768 | 1.5288 | 1.6881 | 1.5888 | 0.1099 | 0.6760 | 0.7328 | 0.7001 | 0.6822 | 0.6785 | 0.6673 | 0.6541 | 0.6835 | 0.6976 | 0.6767 | 0.6430 | 0.9264 | 0.9264 | 0.9264 | 0.9264 | 0.9311 | 1.1676 | 0.9518 | 0.9099 | 0.9510 | 0.8471 | 0.8032 | 0.8570 | 0.8758 | 0.9006 |
| Stearic acid | 0.6347 | 0.5511 | 0.2982 | 0.4242 | 0.4875 | 0.6965 | 0.3042 | 0.5035 | 0.5039 | 0.5328 | 0.3658 | 0.4929 | 1.2623 | 1.6344 | 1.5080 | 1.2755 | 1.3231 | 1.9084 | 1.5135 | 1.5540 | 1.5523 | 1.4320 | 2.3035 | 1.5507 | 1.2291 | 1.4284 | 1.3490 | 1.4559 | 1.1014 | 1.4208 | 1.0142 | 1.3420 | 0.5659 | 1.5971 | 1.2943 | 1.2563 | 1.3437 | 1.5761 | 1.0641 | 1.2274 | 1.1189 | 1.2866 | 1.2752 | 1.2725 | 1.4464 | 1.2523 | 1.0368 | 1.2467 | 0.0140 | 0.2177 | 0.1755 | 0.1846 | 0.2003 | 0.1216 | 0.1674 | 0.1728 | 0.1771 | 0.1656 | 0.1851 | 0.1732 | 1.2731 | 1.2731 | 1.2731 | 1.2731 | 1.4269 | 1.3107 | 1.2952 | 1.4338 | 1.2942 | 0.9014 | 0.9084 | 1.0922 | 1.2167 | 1.2588 |
| Sumaresinolic acid | NA | 0.1781 | 0.0058 | 0.2134 | NA | 0.1656 | NA | 0.1560 | 0.0077 | 0.2489 | NA | 0.1491 | 0.8751 | 0.4882 | 1.4461 | 1.2143 | 0.7710 | 0.6874 | 3.2411 | 2.7131 | 0.8258 | 0.8129 | 2.3014 | 1.3179 | 0.0077 | 0.1910 | 0.0930 | 0.6505 | 0.0337 | 0.2497 | 0.0736 | 0.5995 | NA | 0.2376 | 0.0870 | 0.4886 | 1.5772 | 2.2948 | 3.2744 | 6.1080 | 2.6868 | 1.9826 | 3.4722 | 3.5310 | 1.5839 | 3.2515 | 2.2265 | 2.5433 | NA | 0.0930 | NA | 0.1446 | NA | 0.1616 | NA | 0.1352 | NA | 0.1276 | NA | 0.2180 | 0.6931 | 0.6931 | 0.6931 | 0.6931 | 0.6164 | 0.6535 | 0.8098 | 0.8211 | 0.2773 | 0.1061 | 0.1176 | 0.2037 | 0.3035 | 0.3759 |
| Taurochenodeoxycholic acid | 0.0260 | 0.1372 | 0.0294 | NA | 0.0199 | 0.0404 | NA | NA | NA | NA | NA | NA | 0.6948 | 1.1291 | 0.0842 | 0.3320 | 0.6886 | 0.5038 | 0.1088 | 0.0698 | 0.2577 | 0.4251 | NA | 0.1550 | 0.3464 | 0.4928 | 0.0455 | 0.2392 | 0.6185 | 0.8854 | 0.0582 | 0.2937 | 0.1537 | 1.0336 | 0.0589 | 0.2731 | 2.5135 | 17.8405 | 0.1201 | 0.2961 | 3.5471 | 3.0054 | 0.2687 | 0.2557 | 1.8920 | 12.3062 | 0.0986 | 0.1629 | NA | NA | 0.0171 | 0.0154 | NA | NA | NA | NA | NA | NA | 0.0267 | NA | 0.3956 | 0.3956 | 0.3956 | 0.3956 | 0.4672 | 0.4107 | 0.4114 | 0.3847 | 0.5031 | NA | 0.0404 | 0.0349 | 0.2372 | 0.3611 |
| Taurocholic acid | 0.0899 | 0.1278 | NA | NA | 0.0652 | NA | NA | NA | 0.2961 | 0.1612 | NA | NA | 2.5103 | 1.4186 | 0.0678 | NA | 2.9614 | 2.0653 | 0.1551 | 0.0643 | 0.6415 | 2.1015 | 0.1639 | 0.0855 | 2.7270 | 2.5896 | NA | 0.2361 | 2.8698 | 0.7260 | 0.0793 | 0.0670 | 0.2282 | 1.8997 | 0.0537 | NA | 1.8900 | 13.1533 | 0.2978 | 0.0899 | 2.0953 | 0.9780 | 0.1665 | 0.0846 | 0.6820 | 6.1352 | 0.1093 | 0.0564 | NA | 0.0388 | NA | NA | NA | NA | NA | 0.0590 | NA | NA | 0.0441 | NA | 0.4732 | 0.4732 | 0.4732 | 0.4732 | 0.4846 | 0.4952 | 0.5031 | 0.4732 | 0.3551 | 0.0097 | 0.0476 | 0.1903 | 0.0617 | 0.1551 |
| Taurodeoxycholic acid | 0.0149 | 0.0140 | NA | NA | NA | 0.0121 | NA | NA | NA | 0.0165 | NA | NA | 0.0035 | NA | 0.0205 | 0.0198 | 0.0077 | 0.0163 | 0.0186 | 0.0030 | 0.0049 | 0.0470 | 0.0056 | NA | 0.0793 | 0.1629 | 0.0144 | 0.0430 | 0.1333 | 0.2366 | NA | 0.0307 | 0.9958 | 0.1389 | 0.0642 | 0.0428 | 2.8635 | 17.3034 | 0.2899 | 0.1524 | 4.5559 | 5.2504 | 0.2361 | 0.1403 | 2.3940 | 13.5837 | 0.1191 | 0.0896 | NA | 0.0135 | NA | NA | NA | 0.0114 | NA | NA | NA | NA | 0.0102 | 0.0056 | 0.2759 | 0.2759 | 0.2759 | 0.2759 | 0.2743 | 0.2827 | 0.2610 | 0.2762 | 0.2410 | NA | NA | NA | 0.1503 | 0.2455 |
| Tetradecanedioic acid | 0.9062 | 0.9088 | 0.9753 | 0.9282 | 0.8308 | 0.8241 | 0.9601 | 0.9050 | 0.8317 | 0.8932 | 0.8855 | 0.9345 | 1.1070 | 1.0555 | 1.0244 | 1.0362 | 1.0550 | 0.9581 | 1.1842 | 0.9445 | 1.0390 | 0.9911 | 1.0331 | 1.0224 | 1.1407 | 1.1098 | 1.2112 | 1.4338 | 1.0656 | 1.2546 | 1.0727 | 1.3825 | 1.9632 | 1.1853 | 1.1018 | 1.4005 | 1.0873 | 0.9214 | 1.2313 | 1.0635 | 0.9806 | 1.0534 | 1.1546 | 1.0476 | 0.9363 | 0.9871 | 1.1823 | 1.0224 | 0.0627 | 0.8440 | 0.9022 | 0.8786 | 0.8254 | 0.8484 | 0.8365 | 1.0142 | 0.8113 | 0.8297 | 0.8371 | 0.8500 | 1.0589 | 1.0589 | 1.0589 | 1.0589 | 1.0398 | 1.0869 | 0.9714 | 1.0304 | 0.9590 | 0.8270 | 0.7731 | 0.6382 | 0.7758 | 0.8992 |
| Tormentic acid | 0.0589 | 0.1742 | 0.0451 | 0.1779 | 0.0579 | 0.2082 | 0.0512 | 0.1768 | 0.0528 | 0.1936 | 0.0523 | 0.1517 | 4.0677 | 2.2882 | 6.4556 | 2.8050 | 3.9462 | 2.7607 | 6.8244 | 4.5350 | 3.9569 | 2.9238 | 4.4821 | 3.3302 | 0.2446 | 0.4720 | 0.3109 | 0.8422 | 0.2287 | 0.5480 | 0.1932 | 0.7080 | 0.1762 | 0.5476 | 0.2609 | 0.5397 | 0.3611 | 0.4488 | 0.4802 | 0.6868 | 0.4350 | 0.4840 | 0.4811 | 0.6592 | 0.4044 | 0.4812 | 0.4238 | 0.5384 | NA | 0.1225 | 0.0156 | 0.1368 | 0.0149 | 0.1561 | 0.0151 | 0.1174 | 0.0186 | 0.1221 | 0.0179 | 0.1072 | 1.0493 | 1.0493 | 1.0493 | 1.0493 | 1.0264 | 1.0439 | 1.0339 | 1.0574 | 0.7594 | 0.2117 | 0.2998 | 0.4883 | 0.6047 | 0.7009 |
| Tridecylic acid | 0.4971 | 0.5463 | 0.6719 | 0.5702 | 0.5161 | 0.5401 | 0.5568 | 0.5354 | 0.6304 | 0.5549 | 0.5402 | 0.7092 | 1.1183 | 0.8626 | 0.7103 | 0.9818 | 1.0032 | 1.0101 | 1.0175 | 1.0932 | 1.0609 | 1.0225 | 0.7754 | 1.0682 | 0.5484 | 0.4460 | 0.9178 | 0.3675 | 0.5234 | 0.6741 | 0.7341 | 0.4049 | 25.0383 | 0.6590 | 0.8684 | 0.4521 | 0.9553 | 0.8353 | 0.7283 | 0.6015 | 1.0552 | 1.0467 | 0.7483 | 0.6493 | 0.8970 | 0.7531 | 0.7611 | 0.7445 | 0.0257 | 0.4755 | 0.4886 | 0.4497 | 0.4712 | 0.4855 | 0.4124 | 0.4838 | 0.4248 | 0.3890 | 0.4521 | 0.4097 | 0.6635 | 0.6635 | 0.6635 | 0.6635 | 0.6894 | 0.7661 | 0.8444 | 0.7282 | 0.6633 | 0.5212 | 0.4667 | 0.5167 | 0.5926 | 0.5871 |
| Uncaric acid | NA | NA | NA | 0.1189 | NA | NA | NA | NA | NA | NA | NA | NA | 1.2503 | 0.4445 | 0.8597 | 1.0550 | 0.9418 | 0.5766 | 2.0987 | 1.0305 | 1.3655 | 0.6709 | 1.6816 | 0.9437 | 1.0880 | 1.7646 | 2.2770 | 4.5182 | 0.9786 | 2.6658 | 0.7842 | 3.6689 | 2.8272 | 2.0317 | 0.9956 | 3.2650 | 0.8332 | 0.2133 | 0.6039 | 0.4133 | 0.5464 | 0.5284 | 0.7408 | 0.7936 | 0.6974 | 0.2001 | 0.3614 | 0.5303 | NA | NA | NA | 0.0708 | NA | NA | NA | NA | NA | NA | 0.0510 | NA | 0.5303 | 0.5303 | 0.5303 | 0.5303 | 0.4331 | 0.6021 | 0.5388 | 0.6662 | 0.2869 | 0.0396 | NA | 0.1963 | 0.2746 | 0.3548 |
| Undecanedioic acid | 0.8397 | 0.8125 | 0.8639 | 0.8505 | 0.8431 | 0.8256 | 0.8498 | 0.8413 | 0.8860 | 0.8488 | 0.8078 | 0.8654 | 1.0935 | 1.2174 | 1.0038 | 1.0358 | 1.1148 | 0.9165 | 1.1180 | 1.0745 | 1.0088 | 1.0501 | 0.9564 | 0.9747 | 0.9113 | 0.9084 | 1.0403 | 1.4342 | 0.8704 | 0.8741 | 1.0911 | 1.0800 | 1.4108 | 0.9843 | 1.0137 | 1.4169 | 1.3008 | 1.2084 | 1.3533 | 2.0267 | 1.2893 | 1.1133 | 1.1116 | 1.1273 | 1.1007 | 1.1997 | 1.3520 | 1.2657 | 0.0625 | 0.8598 | 0.8039 | 0.7869 | 0.8034 | 0.8524 | 0.8156 | 0.8588 | 0.7474 | 0.7745 | 0.8449 | 0.8574 | 0.9784 | 0.9784 | 0.9784 | 0.9784 | 0.9978 | 1.1049 | 0.9652 | 0.9827 | 1.0077 | 0.9805 | 0.9431 | 0.9705 | 0.9413 | 0.9421 |
| Xi-17-Methyloctadecanoic acid | 0.6643 | 0.4073 | 0.3624 | 0.4404 | 0.4095 | 0.5374 | 0.3004 | 0.4983 | 0.6204 | 0.4648 | 0.3418 | 0.3813 | 1.7253 | 1.4462 | 1.7985 | 1.0466 | 1.6578 | 2.2847 | 2.9052 | 2.5848 | 1.7312 | 1.5179 | 3.9446 | 1.8772 | 1.2753 | 1.0524 | 1.0614 | 1.9347 | 0.6609 | 1.1543 | 0.6547 | 1.4324 | 1.3691 | 1.5073 | 0.7726 | 1.5366 | 1.3471 | 1.6331 | 0.9315 | 1.6400 | 1.1622 | 1.2656 | 1.2003 | 1.0633 | 1.1408 | 1.3893 | 1.2132 | 0.8359 | 0.0073 | 0.1855 | 0.1393 | 0.1771 | 0.1418 | 0.1373 | 0.1158 | 0.1193 | 0.1329 | 0.1606 | 0.1607 | 0.1398 | 1.2343 | 1.2343 | 1.2343 | 1.2343 | 1.2012 | 1.1150 | 1.2987 | 1.2402 | 0.8738 | 0.4382 | 0.4519 | 0.1497 | 0.7372 | 0.7573 |
Factors:
| F1 | Sample source:Human stool ex vivo culture | Stool Donor:288 | QCRole:Sample | Replicate:1 | Time_point:0h | Treatment:- |
| F2 | Sample source:Human stool ex vivo culture | Stool Donor:288 | QCRole:Sample | Replicate:1 | Time_point:0h | Treatment:Maslinic acid |
| F3 | Sample source:Human stool ex vivo culture | Stool Donor:288 | QCRole:Sample | Replicate:1 | Time_point:48h | Treatment:- |
| F4 | Sample source:Human stool ex vivo culture | Stool Donor:288 | QCRole:Sample | Replicate:1 | Time_point:48h | Treatment:Maslinic acid |
| F5 | Sample source:Human stool ex vivo culture | Stool Donor:288 | QCRole:Sample | Replicate:2 | Time_point:0h | Treatment:- |
| F6 | Sample source:Human stool ex vivo culture | Stool Donor:288 | QCRole:Sample | Replicate:2 | Time_point:0h | Treatment:Maslinic acid |
| F7 | Sample source:Human stool ex vivo culture | Stool Donor:288 | QCRole:Sample | Replicate:2 | Time_point:48h | Treatment:- |
| F8 | Sample source:Human stool ex vivo culture | Stool Donor:288 | QCRole:Sample | Replicate:2 | Time_point:48h | Treatment:Maslinic acid |
| F9 | Sample source:Human stool ex vivo culture | Stool Donor:288 | QCRole:Sample | Replicate:3 | Time_point:0h | Treatment:- |
| F10 | Sample source:Human stool ex vivo culture | Stool Donor:288 | QCRole:Sample | Replicate:3 | Time_point:0h | Treatment:Maslinic acid |
| F11 | Sample source:Human stool ex vivo culture | Stool Donor:288 | QCRole:Sample | Replicate:3 | Time_point:48h | Treatment:- |
| F12 | Sample source:Human stool ex vivo culture | Stool Donor:288 | QCRole:Sample | Replicate:3 | Time_point:48h | Treatment:Maslinic acid |
| F13 | Sample source:Human stool ex vivo culture | Stool Donor:489 | QCRole:Sample | Replicate:1 | Time_point:0h | Treatment:- |
| F14 | Sample source:Human stool ex vivo culture | Stool Donor:489 | QCRole:Sample | Replicate:1 | Time_point:0h | Treatment:Maslinic acid |
| F15 | Sample source:Human stool ex vivo culture | Stool Donor:489 | QCRole:Sample | Replicate:1 | Time_point:48h | Treatment:- |
| F16 | Sample source:Human stool ex vivo culture | Stool Donor:489 | QCRole:Sample | Replicate:1 | Time_point:48h | Treatment:Maslinic acid |
| F17 | Sample source:Human stool ex vivo culture | Stool Donor:489 | QCRole:Sample | Replicate:2 | Time_point:0h | Treatment:- |
| F18 | Sample source:Human stool ex vivo culture | Stool Donor:489 | QCRole:Sample | Replicate:2 | Time_point:0h | Treatment:Maslinic acid |
| F19 | Sample source:Human stool ex vivo culture | Stool Donor:489 | QCRole:Sample | Replicate:2 | Time_point:48h | Treatment:- |
| F20 | Sample source:Human stool ex vivo culture | Stool Donor:489 | QCRole:Sample | Replicate:2 | Time_point:48h | Treatment:Maslinic acid |
| F21 | Sample source:Human stool ex vivo culture | Stool Donor:489 | QCRole:Sample | Replicate:3 | Time_point:0h | Treatment:- |
| F22 | Sample source:Human stool ex vivo culture | Stool Donor:489 | QCRole:Sample | Replicate:3 | Time_point:0h | Treatment:Maslinic acid |
| F23 | Sample source:Human stool ex vivo culture | Stool Donor:489 | QCRole:Sample | Replicate:3 | Time_point:48h | Treatment:- |
| F24 | Sample source:Human stool ex vivo culture | Stool Donor:489 | QCRole:Sample | Replicate:3 | Time_point:48h | Treatment:Maslinic acid |
| F25 | Sample source:Human stool ex vivo culture | Stool Donor:619 | QCRole:Sample | Replicate:1 | Time_point:0h | Treatment:- |
| F26 | Sample source:Human stool ex vivo culture | Stool Donor:619 | QCRole:Sample | Replicate:1 | Time_point:0h | Treatment:Maslinic acid |
| F27 | Sample source:Human stool ex vivo culture | Stool Donor:619 | QCRole:Sample | Replicate:1 | Time_point:48h | Treatment:- |
| F28 | Sample source:Human stool ex vivo culture | Stool Donor:619 | QCRole:Sample | Replicate:1 | Time_point:48h | Treatment:Maslinic acid |
| F29 | Sample source:Human stool ex vivo culture | Stool Donor:619 | QCRole:Sample | Replicate:2 | Time_point:0h | Treatment:- |
| F30 | Sample source:Human stool ex vivo culture | Stool Donor:619 | QCRole:Sample | Replicate:2 | Time_point:0h | Treatment:Maslinic acid |
| F31 | Sample source:Human stool ex vivo culture | Stool Donor:619 | QCRole:Sample | Replicate:2 | Time_point:48h | Treatment:- |
| F32 | Sample source:Human stool ex vivo culture | Stool Donor:619 | QCRole:Sample | Replicate:2 | Time_point:48h | Treatment:Maslinic acid |
| F33 | Sample source:Human stool ex vivo culture | Stool Donor:619 | QCRole:Sample | Replicate:3 | Time_point:0h | Treatment:- |
| F34 | Sample source:Human stool ex vivo culture | Stool Donor:619 | QCRole:Sample | Replicate:3 | Time_point:0h | Treatment:Maslinic acid |
| F35 | Sample source:Human stool ex vivo culture | Stool Donor:619 | QCRole:Sample | Replicate:3 | Time_point:48h | Treatment:- |
| F36 | Sample source:Human stool ex vivo culture | Stool Donor:619 | QCRole:Sample | Replicate:3 | Time_point:48h | Treatment:Maslinic acid |
| F37 | Sample source:Human stool ex vivo culture | Stool Donor:745 | QCRole:Sample | Replicate:1 | Time_point:0h | Treatment:- |
| F38 | Sample source:Human stool ex vivo culture | Stool Donor:745 | QCRole:Sample | Replicate:1 | Time_point:0h | Treatment:Maslinic acid |
| F39 | Sample source:Human stool ex vivo culture | Stool Donor:745 | QCRole:Sample | Replicate:1 | Time_point:48h | Treatment:- |
| F40 | Sample source:Human stool ex vivo culture | Stool Donor:745 | QCRole:Sample | Replicate:1 | Time_point:48h | Treatment:Maslinic acid |
| F41 | Sample source:Human stool ex vivo culture | Stool Donor:745 | QCRole:Sample | Replicate:2 | Time_point:0h | Treatment:- |
| F42 | Sample source:Human stool ex vivo culture | Stool Donor:745 | QCRole:Sample | Replicate:2 | Time_point:0h | Treatment:Maslinic acid |
| F43 | Sample source:Human stool ex vivo culture | Stool Donor:745 | QCRole:Sample | Replicate:2 | Time_point:48h | Treatment:- |
| F44 | Sample source:Human stool ex vivo culture | Stool Donor:745 | QCRole:Sample | Replicate:2 | Time_point:48h | Treatment:Maslinic acid |
| F45 | Sample source:Human stool ex vivo culture | Stool Donor:745 | QCRole:Sample | Replicate:3 | Time_point:0h | Treatment:- |
| F46 | Sample source:Human stool ex vivo culture | Stool Donor:745 | QCRole:Sample | Replicate:3 | Time_point:0h | Treatment:Maslinic acid |
| F47 | Sample source:Human stool ex vivo culture | Stool Donor:745 | QCRole:Sample | Replicate:3 | Time_point:48h | Treatment:- |
| F48 | Sample source:Human stool ex vivo culture | Stool Donor:745 | QCRole:Sample | Replicate:3 | Time_point:48h | Treatment:Maslinic acid |
| F49 | Sample source:Media used for stool cultures | Stool Donor:None | QCRole:Sample | Replicate:1 | Time_point:0h | Treatment:- |
| F50 | Sample source:Media used for stool cultures | Stool Donor:None | QCRole:Sample | Replicate:1 | Time_point:0h | Treatment:Maslinic acid |
| F51 | Sample source:Media used for stool cultures | Stool Donor:None | QCRole:Sample | Replicate:1 | Time_point:48h | Treatment:- |
| F52 | Sample source:Media used for stool cultures | Stool Donor:None | QCRole:Sample | Replicate:1 | Time_point:48h | Treatment:Maslinic acid |
| F53 | Sample source:Media used for stool cultures | Stool Donor:None | QCRole:Sample | Replicate:2 | Time_point:0h | Treatment:- |
| F54 | Sample source:Media used for stool cultures | Stool Donor:None | QCRole:Sample | Replicate:2 | Time_point:0h | Treatment:Maslinic acid |
| F55 | Sample source:Media used for stool cultures | Stool Donor:None | QCRole:Sample | Replicate:2 | Time_point:48h | Treatment:- |
| F56 | Sample source:Media used for stool cultures | Stool Donor:None | QCRole:Sample | Replicate:2 | Time_point:48h | Treatment:Maslinic acid |
| F57 | Sample source:Media used for stool cultures | Stool Donor:None | QCRole:Sample | Replicate:3 | Time_point:0h | Treatment:- |
| F58 | Sample source:Media used for stool cultures | Stool Donor:None | QCRole:Sample | Replicate:3 | Time_point:0h | Treatment:Maslinic acid |
| F59 | Sample source:Media used for stool cultures | Stool Donor:None | QCRole:Sample | Replicate:3 | Time_point:48h | Treatment:- |
| F60 | Sample source:Media used for stool cultures | Stool Donor:None | QCRole:Sample | Replicate:3 | Time_point:48h | Treatment:Maslinic acid |
| F61 | Sample source:Quality control pool | Stool Donor:- | QCRole:QC-drift_correction | Replicate:PREFA01 | Time_point:PREFA01 | Treatment:- |
| F62 | Sample source:Quality control pool | Stool Donor:- | QCRole:QC-drift_correction | Replicate:PREFA02 | Time_point:PREFA02 | Treatment:- |
| F63 | Sample source:Quality control pool | Stool Donor:- | QCRole:QC-drift_correction | Replicate:PREFA03 | Time_point:PREFA03 | Treatment:- |
| F64 | Sample source:Quality control pool | Stool Donor:- | QCRole:QC-drift_correction | Replicate:PREFA04 | Time_point:PREFA04 | Treatment:- |
| F65 | Sample source:Quality control pool | Stool Donor:- | QCRole:QC-pooled_ref | Replicate:PREFB01 | Time_point:PREFB01 | Treatment:- |
| F66 | Sample source:Quality control pool | Stool Donor:- | QCRole:QC-pooled_ref | Replicate:PREFB02 | Time_point:PREFB02 | Treatment:- |
| F67 | Sample source:Quality control pool | Stool Donor:- | QCRole:QC-pooled_ref | Replicate:PREFB03 | Time_point:PREFB03 | Treatment:- |
| F68 | Sample source:Quality control pool | Stool Donor:- | QCRole:QC-pooled_ref | Replicate:PREFB04 | Time_point:PREFB04 | Treatment:- |
| F69 | Sample source:Titration of Quality control pool | Stool Donor:- | QCRole:Titration | Replicate:Titration-100 | Time_point:Titration-100 | Treatment:- |
| F70 | Sample source:Titration of Quality control pool | Stool Donor:- | QCRole:Titration | Replicate:Titration-10 | Time_point:Titration-10 | Treatment:- |
| F71 | Sample source:Titration of Quality control pool | Stool Donor:- | QCRole:Titration | Replicate:Titration-20 | Time_point:Titration-20 | Treatment:- |
| F72 | Sample source:Titration of Quality control pool | Stool Donor:- | QCRole:Titration | Replicate:Titration-40 | Time_point:Titration-40 | Treatment:- |
| F73 | Sample source:Titration of Quality control pool | Stool Donor:- | QCRole:Titration | Replicate:Titration-60 | Time_point:Titration-60 | Treatment:- |
| F74 | Sample source:Titration of Quality control pool | Stool Donor:- | QCRole:Titration | Replicate:Titration-80 | Time_point:Titration-80 | Treatment:- |