Data for (Study ST003439)
(Analysis AN005671)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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| (±)11-HETE | 1.0855 | 0.2864 | 0.9324 | 1.0276 | NA | 1.2182 | 1.1177 | 1.4987 | 0.7644 | 0.3669 | 0.8288 | 0.7708 | 0.6711 | 0.3549 | 0.9191 | 1.5099 |
| (±)12(13)-DiHOME | 1.0807 | 0.6491 | 0.9066 | 1.2241 | NA | 2.4511 | 1.6634 | 0.9330 | 0.5631 | 0.8179 | 0.5352 | 0.6436 | 0.6081 | 0.6730 | 0.7026 | 0.4988 |
| 16-Hydroxyhexadecanoic acid | 1.1071 | 0.7055 | 1.0251 | 1.2111 | NA | 1.0390 | 1.2200 | 1.0561 | 0.9612 | 0.9691 | 0.7058 | 1.1703 | 0.8268 | 0.8546 | 0.8598 | 0.9121 |
| 1,7-Dimethyluric acid | 0.6907 | 0.3866 | 0.6192 | 0.9007 | NA | 0.8926 | 0.8699 | 1.3816 | 0.9530 | 0.3758 | 0.6231 | 1.4096 | 0.5327 | 0.3255 | 0.8375 | 1.8634 |
| 2-Cyclopentylphenol | 0.6354 | 0.2843 | 0.6452 | 0.3844 | NA | 2.2907 | 1.0875 | 0.3878 | 1.8814 | 0.9045 | 2.5481 | 0.3344 | 0.7491 | 0.4496 | 0.7948 | 0.5095 |
| 2-Ethylhydracrylic acid | 1.0248 | 1.0331 | 1.1009 | 1.0489 | NA | 1.2980 | 1.0496 | 0.9632 | 0.9923 | 1.0764 | 0.8620 | 0.7340 | 1.0229 | 0.8748 | 0.9301 | 0.9586 |
| 2-Furoic acid | 0.6755 | 1.2283 | 0.8746 | 1.1835 | NA | 1.0341 | 1.2148 | 1.0891 | 0.7796 | 1.0784 | 1.0975 | 1.1338 | 0.7831 | 1.1285 | 0.7995 | 1.1127 |
| 2-Methylbutyrylglycine | 0.7530 | 0.6110 | 1.1022 | 0.7184 | NA | 1.4402 | 1.5948 | 0.7349 | 0.7141 | 0.9141 | 1.3971 | 0.6994 | 0.9205 | 1.0513 | 1.2537 | 0.8788 |
| 2-oxoglutaric acid | 0.8352 | 1.4267 | 0.9642 | 0.8675 | NA | 1.0772 | 1.0514 | 0.9804 | 0.9849 | 1.0701 | 1.2945 | 0.9841 | 0.9567 | 1.1794 | 1.0339 | 0.8990 |
| 2-Phenyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-3-one | 1.2732 | 0.9432 | 1.2105 | 1.3048 | NA | 1.0075 | 1.0066 | 1.0058 | 0.9974 | 1.1396 | 0.9584 | 0.9959 | 0.7252 | 0.6726 | 0.7949 | 0.7272 |
| (2R)-7-Methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl β-D-glucopyranoside | 0.8989 | 0.7311 | 0.8869 | 1.0886 | NA | 1.2687 | 1.0131 | 1.1373 | 0.9033 | 0.4428 | 0.8601 | 1.1327 | 1.1308 | 0.9030 | 0.7218 | 1.1650 |
| (2xi)-D-gluco-heptonic acid | 0.5725 | 1.5803 | 1.0321 | 0.7094 | NA | 1.0242 | 1.5239 | 0.8378 | 0.8850 | 1.6339 | 1.2522 | 0.7251 | 1.0274 | 1.4580 | 1.5081 | 0.8709 |
| 3-Methyl-2-oxovaleric acid | 1.1428 | 2.5459 | 1.3149 | 0.7849 | NA | 0.9897 | 0.9165 | 0.8849 | 0.8854 | 1.3193 | 0.8768 | 0.7555 | 0.9914 | 1.9716 | 0.8274 | 0.9720 |
| 3-phenyllactic acid | 0.5178 | 0.6837 | 0.4168 | 0.3653 | NA | 3.8783 | 1.7986 | 0.5343 | 0.9406 | 0.5482 | 0.7355 | 0.4488 | 0.8242 | 0.7911 | 0.6801 | 0.7154 |
| 4-Hydroxy-5-(3-methoxyphenyl)pentanoic acid | 0.3540 | 0.5378 | 0.5939 | 0.4953 | NA | 1.8524 | 1.4395 | 0.3946 | 1.4852 | 1.1262 | 2.8800 | 0.3925 | 0.7540 | 0.6167 | 1.4446 | 0.6418 |
| 4-Hydroxyhippuric acid | 0.7996 | 0.2025 | 0.5132 | 1.2165 | NA | 1.6169 | 1.5852 | 1.0637 | 1.0164 | 2.2239 | 0.4805 | 1.0009 | 1.1203 | 0.4095 | 0.6073 | 0.7060 |
| 4-Hydroxyproline | 0.7418 | 1.0764 | 0.8472 | 1.1143 | NA | 1.1788 | 0.9679 | 1.3445 | 0.7653 | 0.8902 | 0.8984 | 1.1291 | 0.9133 | 1.0119 | 1.1781 | 0.9754 |
| 4-Methyl-2-oxovaleric acid (ketoleucine) | 1.0504 | 2.9002 | 1.1036 | 0.7175 | NA | 1.0916 | 1.1673 | 0.7217 | 1.1433 | 2.1081 | 0.9965 | 0.7624 | 1.0651 | 1.3945 | 0.9512 | 0.6821 |
| 4-tert-Amylphenol | 0.5986 | 0.3232 | 0.9913 | 0.9871 | NA | 1.2866 | 1.3759 | 0.8622 | 0.8226 | 1.4378 | 2.2029 | 0.7399 | 0.6955 | 0.6384 | 1.1223 | 0.7008 |
| 5-Methoxysalicylic acid | 0.9311 | 1.2714 | 0.9346 | 0.9921 | NA | 1.2480 | 1.0547 | 0.9903 | 0.9577 | 0.9595 | 1.0152 | 0.8329 | 1.1055 | 0.8615 | 0.9412 | 1.0262 |
| Acesulfame | 1.1389 | 0.5607 | 0.7824 | 0.9647 | NA | 0.7242 | 0.7400 | 1.7789 | 0.7351 | 0.8207 | 0.6752 | 1.4845 | 0.4756 | 0.6966 | 0.4417 | 1.9735 |
| Allantoin | 0.8613 | 0.9043 | 0.8347 | 1.2516 | NA | 1.2341 | 0.9540 | 1.2769 | 0.9104 | 0.8800 | 0.7919 | 1.0377 | 0.8942 | 0.6407 | 0.9230 | 1.1164 |
| Arginine | 1.0790 | 1.0709 | 0.9280 | 1.0227 | NA | 0.9996 | 0.8888 | 1.0689 | 1.0546 | 0.9834 | 0.8856 | 1.0630 | 0.9948 | 0.9127 | 0.9376 | 1.0574 |
| Asparagine | 0.8589 | 1.1692 | 0.9320 | 1.0574 | NA | 0.9147 | 0.9318 | 1.0529 | 0.9318 | 1.1415 | 1.0384 | 1.0902 | 1.0280 | 1.2927 | 0.9734 | 1.0199 |
| Aspartic acid | 0.9135 | 0.9711 | 0.8080 | 1.0422 | NA | 1.1051 | 0.7258 | 1.0951 | 1.0494 | 0.9250 | 0.8130 | 1.2688 | 1.1139 | 0.8104 | 0.9209 | 1.1642 |
| Beta-alanine | 1.0503 | 1.2867 | 1.0769 | 0.5813 | NA | 1.5274 | 1.1439 | 0.5849 | 1.3115 | 1.0720 | 1.1126 | 0.5476 | 1.2258 | 1.0647 | 1.2652 | 0.6607 |
| camalexin | 0.8937 | 1.3180 | 0.9637 | 1.0278 | NA | 0.9722 | 0.9638 | 1.0415 | 0.9625 | 1.2601 | 0.9454 | 1.0547 | 1.0636 | 1.2330 | 0.9585 | 0.9500 |
| cis-Aconitic acid | 0.7328 | 1.3736 | 0.7524 | 1.3564 | NA | 1.0087 | 1.1457 | 1.6651 | 0.6480 | 1.1359 | 0.7305 | 1.2653 | 0.5805 | 0.6229 | 0.5311 | 1.3693 |
| Citric acid | 0.7605 | 1.3262 | 0.8929 | 1.1413 | NA | 0.9542 | 1.1779 | 1.0851 | 0.7669 | 1.1081 | 1.0528 | 1.1466 | 0.8956 | 1.1704 | 0.8296 | 1.0897 |
| Citrulline | 0.7868 | 1.2711 | 0.8450 | 1.3977 | NA | 0.7752 | 0.8655 | 1.4186 | 0.7176 | 0.9719 | 0.7462 | 1.3594 | 0.7658 | 0.9830 | 0.8500 | 1.3377 |
| Creatine | 1.0380 | 1.2586 | 1.0945 | 0.5501 | NA | 1.5613 | 1.2061 | 0.5600 | 1.3156 | 1.1285 | 1.1156 | 0.5097 | 1.2206 | 1.0603 | 1.2745 | 0.6359 |
| Cystine | 1.0348 | 0.6203 | 1.1129 | 1.0742 | NA | 0.9186 | 1.2151 | 1.0698 | 1.1194 | 1.1631 | 1.0217 | 0.9194 | 0.7615 | 0.8379 | 1.0276 | 0.7891 |
| Deoxy-hexose2 | 1.0603 | 1.4279 | 1.0044 | 1.4075 | NA | 0.8154 | 1.0887 | 1.1343 | 0.8131 | 0.7463 | 0.7496 | 0.9450 | 0.8348 | 0.9696 | 0.7793 | 1.2538 |
| deoxyxylulose monophosphate | 0.8163 | 0.7637 | 1.0890 | 1.0594 | NA | 0.8056 | 1.3495 | 0.7740 | 1.1965 | 1.2794 | 1.1121 | 0.7366 | 0.9199 | 2.0962 | 0.7378 | 0.7910 |
| Dodecanedioic acid | 1.0129 | 1.5844 | 0.7339 | 0.8221 | NA | 0.9585 | 0.9945 | 0.8254 | 1.1719 | 1.4898 | 1.0393 | 1.4671 | 0.9608 | 1.0551 | 0.8446 | 0.8983 |
| Galactonic acid | 0.6372 | 0.5488 | 1.2618 | 1.6565 | NA | 0.6757 | 1.4864 | 0.5646 | 1.1342 | 1.4584 | 1.1741 | 0.5220 | 0.8561 | 2.4834 | 0.5811 | 0.6035 |
| g-Butyrobetaine | 1.0151 | 1.4240 | 1.1358 | 1.0157 | NA | 1.2962 | 1.1208 | 0.9849 | 0.9040 | 1.1596 | 0.8844 | 0.7791 | 0.9021 | 1.0911 | 0.9376 | 0.8702 |
| Glucuronic acid | 1.1363 | 0.9436 | 0.8876 | 0.3429 | NA | 2.3786 | 1.4722 | 0.3764 | 1.5225 | 0.3070 | 0.9271 | 0.4899 | 1.0821 | 0.5216 | 0.9438 | 0.4885 |
| Glutamic acid | 0.8914 | 0.7584 | 0.8696 | 1.1095 | NA | 0.9835 | 0.8724 | 1.4140 | 0.8829 | 0.6350 | 0.8920 | 1.2037 | 0.8585 | 0.7268 | 1.0175 | 1.1806 |
| Glyceric acid | 0.8852 | 1.1618 | 0.9353 | 1.1610 | NA | 0.9885 | 0.9967 | 1.0827 | 0.9481 | 0.8809 | 1.2139 | 1.1107 | 0.8223 | 0.9314 | 0.8392 | 0.9896 |
| Glycochenodeoxycholic acid | 0.7603 | 0.2286 | 1.3589 | 0.5800 | NA | 2.3222 | 2.1244 | 0.9611 | 0.3472 | 0.1451 | 0.4288 | 1.2257 | 0.7551 | 0.4860 | 0.3270 | 0.7685 |
| Glycocholic acid | 0.7711 | 0.3401 | 1.3082 | 0.3753 | NA | 2.2565 | 1.1020 | 0.5573 | 0.3169 | 0.1123 | 0.2878 | 2.4604 | 0.6672 | 0.6090 | 0.5524 | 1.3705 |
| Glycolic acid | 0.9205 | 1.1604 | 0.9589 | 1.1434 | NA | 1.1017 | 1.0756 | 1.0395 | 1.0067 | 0.8109 | 1.0299 | 0.9589 | 0.8878 | 0.9225 | 0.9248 | 0.9581 |
| Glycoursodeoxycholic acid/GUDCA | 0.6260 | 0.3145 | 0.3237 | 0.2651 | NA | 0.3135 | 0.3027 | 0.3546 | 0.6457 | 0.1675 | 2.9139 | 3.3238 | 0.5113 | 0.5452 | 1.0159 | 2.0928 |
| Hexadecanedioic acid | 0.9033 | 0.5120 | 0.7758 | 0.9461 | NA | 0.9597 | 0.9936 | 1.0598 | 0.8455 | 0.9816 | 0.8643 | 1.2017 | 1.2451 | 1.2912 | 1.0443 | 1.0786 |
| Hexose1 | 1.0027 | 1.0114 | 0.9658 | 0.9182 | NA | 1.0663 | 1.0267 | 0.8938 | 1.1097 | 1.2482 | 1.0414 | 0.9706 | 1.0665 | 0.9254 | 1.0087 | 0.9202 |
| Histidine | 0.8502 | 1.2742 | 0.9625 | 1.1360 | NA | 0.9869 | 1.0092 | 1.1008 | 0.8712 | 1.1233 | 1.0029 | 1.1159 | 0.8742 | 1.1594 | 0.8573 | 1.0408 |
| Homocitrulline | 0.6507 | 0.5725 | 0.8465 | 0.8653 | NA | 1.4128 | 1.5558 | 1.3765 | 0.8410 | 0.7970 | 0.8995 | 0.8289 | 0.8994 | 0.7654 | 1.0475 | 0.9046 |
| Hydroxybutyric acid | 1.4703 | 1.1961 | 1.3743 | 0.9008 | NA | 1.2412 | 0.9573 | 0.7938 | 1.0770 | 1.1775 | 0.9015 | 0.6441 | 1.1083 | 0.8519 | 0.7992 | 0.6551 |
| Hydroxyisocaproic acid | 0.8716 | 0.4934 | 0.7703 | 0.8216 | NA | 1.3383 | 1.0822 | 0.7750 | 0.9110 | 0.3554 | 0.9712 | 1.0763 | 1.1195 | 1.4726 | 0.6122 | 1.4173 |
| Hydroxynorleucine | 0.8254 | 1.6650 | 1.1781 | 0.9057 | NA | 0.9781 | 1.1379 | 0.9500 | 0.9038 | 1.2219 | 1.1941 | 0.8677 | 0.8935 | 1.4066 | 1.1062 | 0.8854 |
| Hypoxanthine | 0.9029 | 1.3519 | 0.8969 | 1.1527 | NA | 0.9194 | 0.9023 | 1.0802 | 1.0164 | 1.1873 | 0.8272 | 1.1186 | 0.9930 | 0.8553 | 0.9898 | 1.1661 |
| Isocitric acid | 0.8852 | 1.3631 | 0.9185 | 1.0123 | NA | 1.0789 | 1.1326 | 1.0519 | 0.8916 | 1.0497 | 1.0077 | 1.0088 | 0.9613 | 0.9214 | 1.0215 | 1.0258 |
| Lactic acid | 0.9060 | 1.4021 | 0.9678 | 0.9311 | NA | 1.0581 | 1.0974 | 0.9022 | 0.9615 | 1.2929 | 1.0750 | 0.9497 | 0.9928 | 1.1735 | 1.0474 | 0.9848 |
| L-(+)-Erythrulose | 0.8927 | 1.4177 | 0.9874 | 0.5825 | NA | 1.4544 | 1.4830 | 0.7061 | 1.1286 | 1.3972 | 1.3928 | 0.6210 | 1.0424 | 1.1787 | 0.9238 | 0.6015 |
| Linolenic acid | 0.8893 | 0.9811 | 0.7349 | 1.0179 | NA | 1.1795 | 0.8205 | 1.3581 | 0.7642 | 1.3482 | 0.7736 | 1.0956 | 1.0519 | 1.1381 | 0.7679 | 1.2638 |
| Lysine | 1.0062 | 1.2565 | 1.0038 | 1.0583 | NA | 0.9527 | 0.9174 | 1.0131 | 0.9996 | 1.0068 | 0.9752 | 1.0365 | 0.9790 | 1.0779 | 0.9685 | 1.0181 |
| Malic acid | 0.7301 | 0.7190 | 0.8713 | 1.4012 | NA | 0.9489 | 0.9431 | 1.5116 | 0.8383 | 0.7128 | 1.1390 | 1.3247 | 0.6476 | 0.8132 | 0.7042 | 0.9200 |
| Methionine sulfoxide | 1.0422 | 1.3993 | 0.9651 | 0.9013 | NA | 1.3017 | 0.9956 | 0.9217 | 1.0833 | 0.6406 | 0.9763 | 0.7903 | 1.1294 | 0.8733 | 1.1337 | 0.9075 |
| Miglitol | 0.8205 | 1.5861 | 1.1837 | 0.9016 | NA | 0.9837 | 1.1429 | 0.9518 | 0.9043 | 1.2133 | 1.1963 | 0.8647 | 0.8904 | 1.4234 | 1.1042 | 0.8817 |
| Mimosine | 1.0127 | 8.8895 | 0.7132 | 0.9343 | NA | 1.0541 | 0.8146 | 1.0977 | 1.2019 | 0.2672 | 0.8373 | 1.0777 | 0.5070 | 0.5206 | 0.5744 | 1.3374 |
| N1-[4-(acetylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxamide | 1.2894 | 0.7143 | 0.8567 | 1.0451 | NA | 0.8838 | 1.0056 | 1.0082 | 1.2572 | 0.8426 | 0.9228 | 1.1462 | 0.7512 | 0.6818 | 0.8747 | 1.0588 |
| N-[(2S)-2-Hydroxypropanoyl]valine | 1.0165 | 1.5089 | 1.2119 | 0.9864 | NA | 1.3315 | 1.0788 | 0.9379 | 0.8930 | 1.2386 | 0.8872 | 0.7873 | 0.8894 | 1.1068 | 0.9298 | 0.8715 |
| N-Acetyl-alanine | 0.9321 | 1.2608 | 0.9244 | 0.9226 | NA | 1.2385 | 1.1311 | 0.9597 | 1.0052 | 1.0262 | 0.9968 | 0.9063 | 1.0004 | 0.9105 | 1.0490 | 0.9553 |
| N-Acetylaspartic acid | 0.7376 | 1.1409 | 0.8341 | 1.0630 | NA | 1.1382 | 1.2839 | 1.3985 | 0.8197 | 1.3122 | 0.9552 | 1.0350 | 0.7581 | 1.0336 | 0.7899 | 0.9455 |
| N-Acetylornithine | 0.8909 | 1.3946 | 1.0085 | 1.3524 | NA | 0.8509 | 1.0235 | 1.4901 | 0.7370 | 0.9138 | 0.7228 | 1.2647 | 0.7564 | 0.6180 | 0.8485 | 1.0618 |
| N-Acetyl-phenylalanine | 1.1257 | 1.0669 | 1.2152 | 1.2303 | NA | 0.8362 | 1.0259 | 0.8908 | 0.8938 | 1.5221 | 0.9212 | 1.1395 | 0.8814 | 0.8165 | 0.9586 | 0.8315 |
| N-Acetylvaline | 1.1133 | 1.1435 | 0.6983 | 0.5764 | NA | 2.9157 | 1.3336 | 0.6797 | 0.9953 | 0.9863 | 1.0718 | 0.4747 | 0.7023 | 0.7852 | 0.7624 | 0.6363 |
| Naringenin | 1.7845 | 1.0212 | 1.8734 | 2.0094 | NA | 0.7079 | 0.6992 | 0.6983 | 0.6626 | 0.7950 | 0.6306 | 0.6606 | 0.7793 | 0.8036 | 0.7215 | 0.7810 |
| N-formylmethionine | 0.8705 | 1.6597 | 0.8165 | 0.9245 | NA | 1.5093 | 1.5651 | 0.9698 | 0.9743 | 0.8583 | 0.8678 | 0.7961 | 0.8946 | 0.7304 | 0.8913 | 0.8849 |
| N-Iso-Valerylglycine | 0.7551 | 0.6123 | 1.0928 | 0.7393 | NA | 1.4346 | 1.5895 | 0.7231 | 0.7123 | 0.9404 | 1.3957 | 0.7058 | 0.9189 | 1.0500 | 1.2488 | 0.8842 |
| NP-021797 | 0.5464 | 0.7796 | 0.5759 | 0.5658 | NA | 3.9903 | 2.5090 | 0.5525 | 0.6950 | 1.6716 | 0.3506 | 0.4090 | 0.7847 | 0.5740 | 0.3266 | 0.5197 |
| Ornithine | 1.0161 | 1.0863 | 0.9766 | 1.0883 | NA | 1.0207 | 0.8638 | 1.0926 | 1.0303 | 0.8394 | 1.0126 | 1.0473 | 0.9136 | 0.9214 | 0.8703 | 1.0560 |
| Orotidine | 0.9663 | 0.7231 | 0.9672 | 0.8454 | NA | 0.8880 | 0.8893 | 0.7256 | 0.6281 | 0.6221 | 0.7242 | 0.6329 | 2.2059 | 0.7757 | 2.0550 | 1.2485 |
| Phenylalanine | 0.9928 | 1.3589 | 0.9976 | 0.7755 | NA | 1.2358 | 1.0662 | 0.8842 | 1.0805 | 1.0682 | 1.0984 | 0.8460 | 1.0674 | 1.1005 | 1.0129 | 0.8754 |
| Pyruvic acid | 0.7696 | 1.4403 | 0.9102 | 0.6738 | NA | 1.0376 | 1.3487 | 0.9161 | 0.9419 | 1.8306 | 1.2220 | 0.9121 | 1.0565 | 1.5094 | 1.0088 | 0.8224 |
| Quinic acid | 0.7319 | 0.9235 | 0.6660 | 1.2835 | NA | 0.7343 | 0.9925 | 1.5415 | 0.8086 | 0.7392 | 0.7616 | 1.4533 | 0.8326 | 0.8277 | 0.7395 | 1.3845 |
| Ribulose-5-phosphate | 1.1783 | 0.9176 | 0.9252 | 0.3214 | NA | 2.4725 | 1.6782 | 0.3843 | 1.5003 | 0.3006 | 0.8856 | 0.4671 | 1.1177 | 0.4400 | 0.7539 | 0.4788 |
| Saccharine | 1.0678 | 0.5514 | 1.0600 | 0.5170 | NA | 1.4256 | 0.6522 | 1.0935 | 0.5893 | 0.5398 | 0.2725 | 1.3393 | 2.2668 | 0.3914 | 0.5319 | 1.2959 |
| Sarcosine | 0.8548 | 1.2032 | 0.9358 | 1.0655 | NA | 0.9034 | 1.0267 | 1.0309 | 0.8691 | 1.2856 | 1.1481 | 1.1231 | 0.8598 | 1.3180 | 0.8789 | 1.0558 |
| Serine | 1.0102 | 1.0699 | 0.9803 | 1.1686 | NA | 0.9150 | 0.8191 | 1.1702 | 0.9238 | 1.0097 | 0.8676 | 1.1589 | 0.9322 | 1.0392 | 0.8881 | 1.0639 |
| Sorbitol/Manitol | 0.8549 | 1.8644 | 1.2755 | 0.2267 | NA | 1.7841 | 1.7661 | 0.1979 | 1.2346 | 1.8639 | 1.5370 | 0.1960 | 1.0575 | 1.8489 | 1.0898 | 0.3086 |
| Succinic acid | 1.0317 | 1.0087 | 1.1675 | 1.3987 | NA | 0.9705 | 1.0201 | 1.2248 | 0.8031 | 0.7164 | 0.7447 | 0.8549 | 0.8307 | 0.7528 | 0.9945 | 1.0835 |
| Taurine | 0.8863 | 1.5566 | 0.9528 | 1.1458 | NA | 0.7969 | 0.8561 | 1.1100 | 0.8734 | 1.2024 | 0.8547 | 1.1418 | 0.9430 | 1.0968 | 1.1067 | 1.2533 |
| Taurochenodeoxycholate | 1.6303 | 0.1002 | 2.0087 | 0.2517 | NA | 1.5006 | 1.1104 | 0.9518 | 0.7389 | 0.3793 | 0.1602 | 2.1501 | 0.7125 | 0.2926 | 0.1621 | 0.5574 |
| Taurocholic acid | 0.4099 | 0.2752 | 0.7203 | 0.2119 | NA | 0.4788 | 0.2596 | 0.7896 | 0.2731 | 0.1569 | 0.3061 | 5.8923 | 0.5087 | 0.5260 | 0.3724 | 1.6832 |
| Taurodeoxycholic acid | 1.6315 | 0.0998 | 2.0066 | 0.2516 | NA | 1.4993 | 1.1095 | 0.9510 | 0.7384 | 0.3788 | 0.1702 | 2.1480 | 0.7116 | 0.2921 | 0.1618 | 0.5569 |
| Tetradecanedioic acid | 0.9462 | 0.9078 | 0.8582 | 0.8571 | NA | 0.9532 | 0.9905 | 0.8662 | 1.0966 | 1.2546 | 1.0198 | 1.2619 | 1.0864 | 1.0905 | 0.8939 | 1.0329 |
| Threonic acid | 0.8556 | 0.9554 | 0.9142 | 0.9995 | NA | 1.1576 | 1.1491 | 1.0845 | 0.9622 | 0.8366 | 1.0253 | 0.9844 | 0.9290 | 0.9251 | 0.9265 | 1.0264 |
| Torsemide | 0.8936 | 0.5075 | 0.4234 | 0.3569 | NA | 1.5192 | 3.4994 | 0.5538 | 1.0815 | 0.3066 | 1.1850 | 0.3854 | 0.7752 | 0.8064 | 0.5925 | 0.7195 |
| Traumatic Acid | 0.6270 | 0.5836 | 0.9055 | 0.8874 | NA | 2.4276 | 2.2810 | 0.9060 | 0.6228 | 0.8990 | 0.4923 | 0.6615 | 0.6833 | 0.6744 | 0.6332 | 0.7077 |
| Tryptophan | 0.9710 | 2.1602 | 1.0058 | 1.1049 | NA | 0.7523 | 0.8978 | 1.1900 | 0.9041 | 1.2301 | 0.9592 | 1.2214 | 0.8036 | 1.0831 | 0.8119 | 1.1051 |
| Uridine | 0.8948 | 1.0423 | 0.7353 | 1.5393 | NA | 0.8087 | 0.7870 | 1.3418 | 0.8151 | 0.7796 | 0.6932 | 1.4482 | 0.7711 | 0.7216 | 0.7583 | 1.3738 |
| vanillic acid | 1.0455 | 2.0133 | 0.9976 | 1.0980 | NA | 1.1954 | 1.0726 | 0.9868 | 0.8910 | 1.0780 | 0.8802 | 0.8557 | 1.0297 | 0.7930 | 0.8172 | 1.0149 |
| Xanthine | 0.8885 | 1.3450 | 0.9230 | 1.1027 | NA | 0.9267 | 0.8577 | 0.9969 | 0.9100 | 1.0666 | 0.9887 | 1.0172 | 0.9777 | 1.2595 | 1.1664 | 1.1875 |
| α-aminobutyric acid | 0.9581 | 0.9048 | 0.8972 | 1.0683 | NA | 0.9914 | 0.8618 | 1.3329 | 0.9287 | 0.7502 | 0.9334 | 1.1608 | 0.8847 | 0.7907 | 0.9827 | 1.1066 |
| γ-Aminobutyric acid (GABA) | 1.0718 | 0.9739 | 1.0412 | 1.1573 | NA | 0.9598 | 0.9056 | 1.1238 | 1.0507 | 0.9322 | 1.1522 | 1.0044 | 0.9100 | 0.6172 | 0.9202 | 0.8594 |
| δ-Gluconolactone | 0.8904 | 1.0599 | 0.9376 | 0.8757 | NA | 1.1134 | 1.1089 | 1.0119 | 1.0073 | 0.8745 | 1.0660 | 0.9665 | 0.9639 | 1.1097 | 0.9868 | 1.0373 |
Factors:
| F1 | Sample source:blood | Group:Control | Timepoint:-1 |
| F2 | Sample source:blood | Group:Control | Timepoint:-2 |
| F3 | Sample source:blood | Group:Control | Timepoint:-3 |
| F4 | Sample source:blood | Group:Control | Timepoint:Pre |
| F5 | Sample source:blood | Group:QC | Timepoint:NA |
| F6 | Sample source:blood | Group:Sepsis | Timepoint:-1 |
| F7 | Sample source:blood | Group:Sepsis | Timepoint:-3 |
| F8 | Sample source:blood | Group:Sepsis | Timepoint:Pre |
| F9 | Sample source:blood | Group:SIRS | Timepoint:-1 |
| F10 | Sample source:blood | Group:SIRS | Timepoint:-2 |
| F11 | Sample source:blood | Group:SIRS | Timepoint:-3 |
| F12 | Sample source:blood | Group:SIRS | Timepoint:Pre |
| F13 | Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 |
| F14 | Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 |
| F15 | Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 |
| F16 | Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre |