Data for High PUFA diet in humans (Study ST000041)
(Analysis AN000063)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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 10-HYDROXYDECANOATE | 0.7624 | 0.7164 | 0.7753 | 0.6079 | 0.3949 | NA | 0.4990 | 1.3361 | 1.7642 | 1.4841 | 0.8044 | 1.0286 | 1.1959 | 1.8282 |
| 11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE | 0.4093 | 0.3239 | 1.2190 | 1.3583 | 0.8452 | 0.7811 | NA | 1.9360 | 1.1122 | NA | NA | NA | NA | 1.0303 |
| 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | NA | NA | NA | NA | NA | NA | 3.0411 | 0.2151 | 0.2530 | NA | NA | 0.8178 | 0.7578 | 1.1575 |
| 12-HYDROXY-DODECANOIC ACID | 0.7289 | 0.9076 | 1.0413 | 1.0548 | 1.0132 | 0.9909 | 0.8899 | 1.0307 | 0.8833 | 1.1784 | 1.0008 | 1.1388 | 0.7033 | 1.0852 |
| 17ALPHA-HYDROXYPROGESTERONE | 0.7092 | 1.0754 | 1.3975 | 1.4485 | 1.7621 | 1.1393 | 0.9000 | 0.6889 | 0.3507 | NA | 0.3841 | 0.6506 | 0.4137 | 0.6445 |
| 1-METHYLADENOSINE | 1.0919 | 1.0944 | 1.0980 | 1.3116 | 0.9264 | 1.0527 | 1.0043 | 1.0639 | 0.9495 | 0.9584 | 0.9202 | 0.9342 | 0.8379 | 1.0016 |
| 1-OLEOYL-RAC-GLYCEROL | NA | 0.2379 | 0.8196 | 0.5942 | 1.0264 | 0.2269 | 0.6458 | 1.5987 | 1.0675 | 0.7832 | 0.6128 | 1.2360 | 2.0690 | 1.3929 |
| 2,3-DIAMINOPROPIONIC ACID | 0.8236 | NA | 0.2075 | NA | NA | NA | 1.2187 | NA | 1.1142 | 1.2658 | 1.0800 | NA | 0.6681 | NA |
| 2,4-DIHYDROXYPTERIDINE | NA | 1.3083 | NA | NA | 0.7237 | 1.1285 | NA | NA | NA | NA | 0.8355 | NA | 0.9535 | 1.0505 |
| 2,5-DIMETHYLPYRAZINE | NA | 1.2233 | 0.3403 | 0.6354 | NA | NA | 0.7402 | 1.0784 | 0.6157 | 1.3466 | 1.2278 | 1.7138 | NA | NA |
| 25-HYDROXYCHOLESTEROL | NA | 1.1703 | 1.4643 | NA | NA | NA | NA | 2.0516 | NA | 0.7916 | 0.3660 | 0.3769 | NA | 0.7792 |
| 2,6-DIHYDROXYPYRIDINE | 0.3317 | 1.2870 | 0.8019 | 0.5353 | 1.0775 | 1.7452 | 0.8592 | 0.2750 | 0.7555 | 1.5718 | 0.5834 | 1.4274 | 0.3794 | 1.9393 |
| 2-AMINO-2-DEOXYHEXOPYRANOSE | 0.9553 | 0.5316 | 0.9308 | 1.1051 | NA | 0.8014 | 1.4869 | 0.2607 | 0.5704 | 1.5055 | 0.5107 | 1.5408 | 1.7439 | 1.1546 |
| (2-AMINOETHYL)PHOSPHONATE | NA | NA | 1.0895 | NA | 0.9105 | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 2-AMINOPHENOL | NA | 0.9325 | 1.1094 | 1.2906 | 1.5412 | 0.5121 | 0.4981 | 1.0727 | 0.6553 | 1.2248 | 1.0208 | 1.4725 | 1.0654 | 0.9943 |
| 2`-DEOXYADENOSINE | 1.0055 | NA | NA | 0.7628 | 1.3537 | NA | NA | 0.8650 | 0.6697 | 1.0290 | NA | NA | NA | 1.2853 |
| 2`-DEOXYADENOSINE 5`-DIPHOSPHATE | NA | 0.7855 | 0.9636 | 0.6786 | 0.7096 | NA | 1.0964 | NA | NA | 0.8185 | 1.3640 | NA | 1.3050 | NA |
| 2`-DEOXYADENOSINE 5`-MONOPHOSPHATE | NA | NA | 1.9013 | 0.6941 | NA | NA | NA | NA | NA | 0.7938 | 0.5929 | NA | NA | 1.0179 |
| 2`-DEOXYCYTIDINE | NA | 0.9473 | 0.7088 | 1.2052 | NA | 1.1783 | 0.4111 | 1.5300 | 0.8104 | 1.1906 | 1.1913 | 0.6021 | 0.8381 | 1.4758 |
| 2`-DEOXYCYTIDINE 5`-DIPHOSPHATE | 0.6715 | 0.6975 | 1.1445 | 1.1595 | 0.4400 | 0.9963 | 0.5683 | 0.2861 | 1.2985 | 1.8956 | 0.8923 | 0.7791 | 0.8746 | 1.2751 |
| 2`-DEOXYCYTIDINE 5`-MONOPHOSPHATE | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
| 2-DEOXY-D-GLUCOSE | 0.7767 | 0.9965 | 0.9874 | 1.1769 | 0.9943 | 1.1271 | 1.0264 | 1.0238 | 0.9643 | 1.0207 | 0.8643 | 1.0529 | 0.9936 | 0.9569 |
| 2`-DEOXYGUANOSINE | 0.6371 | 1.0179 | 1.8981 | 0.5405 | 1.3980 | 1.3563 | 1.4369 | 0.5564 | 0.8190 | 0.8605 | 0.8062 | 0.9765 | 0.7367 | 1.2930 |
| 2`-DEOXYGUANOSINE 5`-DIPHOSPHATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| 2`-DEOXYGUANOSINE 5`-MONOPHOSPHATE | NA | 0.6687 | 0.9502 | 1.1963 | NA | 0.8365 | NA | 1.0313 | 0.5734 | 1.1443 | 1.0032 | 1.1590 | 1.2567 | NA |
| 2-HYDROXYBUTYRIC ACID | 1.8617 | 1.0792 | 1.5382 | 1.1008 | 0.0248 | 0.6107 | 0.5859 | 0.9710 | 2.0118 | 0.8761 | 1.3137 | 1.1576 | 0.2317 | 0.6454 |
| 2-HYDROXYPHENYLACETIC ACID | 1.0100 | 0.8613 | 1.3208 | 1.2356 | 0.9014 | 1.0288 | 1.0683 | 0.7614 | 0.8819 | 0.9347 | 0.9432 | 1.0339 | 1.1856 | 0.8989 |
| 2-HYDROXYPYRIDINE | NA | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 2-METHYLGLUTARIC ACID | 0.1300 | NA | 0.0852 | 0.1812 | NA | 0.1140 | 0.2256 | NA | 0.1627 | 0.6343 | NA | 0.7382 | 1.4938 | 6.2349 |
| 2-QUINOLINECARBOXYLIC ACID | NA | NA | NA | 0.8992 | 1.1385 | NA | 0.5237 | 0.6059 | 2.4802 | NA | 0.5197 | 0.8122 | 1.0152 | 1.1063 |
| 3-(2-HYDROXYPHENYL)PROPANOATE | NA | NA | NA | NA | NA | NA | 1.5240 | 1.2157 | NA | 1.0177 | 0.7109 | 0.8065 | 1.1077 | 1.2935 |
| 3,3`,5-TRIIODO-L-THYRONINE | NA | NA | 0.9684 | NA | NA | NA | 1.0563 | 0.9382 | 1.0241 | 1.3165 | 0.9814 | 1.0197 | 0.6870 | 0.9846 |
| 3,3`-DITHIODIVALINE | NA | 0.6038 | NA | 0.9319 | NA | NA | 1.2141 | 0.5028 | 2.5311 | 1.2679 | 0.7214 | NA | NA | 0.4197 |
| 3,4-DIHYDROXYBENZOATE | NA | NA | 0.8505 | NA | NA | NA | NA | 1.1276 | NA | 0.7740 | 0.7913 | 1.3162 | 1.2537 | 0.6227 |
| 3,4-DIHYDROXY-L-PHENYLALANINE | NA | NA | NA | NA | NA | NA | 2.1708 | NA | 0.4423 | NA | NA | 0.3869 | NA | NA |
| 3,4-DIHYDROXYPHENYLACETATE | NA | NA | 1.4833 | 0.6201 | 1.3766 | 0.8550 | 0.9584 | NA | 0.7487 | NA | NA | 1.1788 | 0.8727 | 0.9064 |
| 3,4-DIHYDROXYPHENYL GLYCOL | NA | NA | NA | NA | 0.9461 | NA | 0.5595 | NA | NA | 0.7178 | 1.4335 | NA | NA | 1.1716 |
| 3-(4-HYDROXYPHENYL)LACTATE | NA | 0.3954 | 0.9453 | NA | 1.2851 | 1.1649 | NA | NA | 0.7049 | NA | 0.6329 | 2.2387 | NA | NA |
| 3-(4-HYDROXYPHENYL)PYRUVATE | 1.0038 | NA | 1.4819 | NA | NA | NA | NA | NA | 1.0464 | 1.0509 | 0.8322 | 1.2827 | 0.7627 | 0.3736 |
| 3,5-DIIODO-L-THYRONINE | NA | NA | 1.1799 | NA | NA | 0.9100 | NA | NA | NA | NA | NA | NA | NA | NA |
| 3,5-DIIODO-L-TYROSINE | NA | NA | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 3-ALPHA,11-BETA,17-ALPHA,21-TETRAHYDROXY- 5-ALPHA-PREGNAN-20-ONE | 1.1285 | NA | 1.0819 | NA | 1.0653 | NA | NA | NA | NA | 0.7243 | NA | NA | NA | NA |
| 3ALPHA-HYDROXY-5BETA-CHOLANATE | 0.7447 | 0.9595 | 0.8090 | NA | NA | NA | NA | 0.5781 | 1.0935 | 1.4798 | 1.1383 | 0.6901 | 1.0097 | 1.0818 |
| 3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE | NA | 0.8311 | 1.3964 | NA | NA | 0.5888 | 1.3462 | NA | NA | NA | 0.9327 | 0.5380 | 1.1834 | NA |
| 3`-CMP | 0.3530 | NA | 0.9793 | 0.7965 | NA | 0.8573 | 0.7247 | 0.9334 | 0.8520 | 1.1799 | 0.4888 | 1.3629 | 1.5226 | 1.2366 |
| 3-DEHYDROCARNITINE | NA | NA | 0.7499 | NA | 1.1386 | NA | 0.9591 | 1.9919 | 0.6590 | 0.3515 | 1.1182 | 1.7081 | 1.1287 | 0.9651 |
| 3`-DEPHOSPHO COA | NA | 0.9334 | 1.1363 | 1.3343 | NA | NA | 1.2362 | 0.9158 | 0.8121 | 0.7984 | 1.0997 | NA | 0.8525 | 1.1776 |
| 3-HYDROXY-3-METHYLGLUTARATE | 0.3563 | NA | 1.1665 | 1.5436 | 0.3333 | 0.5329 | 0.5990 | 1.4940 | 1.1155 | 0.4640 | NA | 1.0540 | 0.7529 | 1.0239 |
| 3-HYDROXYBENZALDEHYDE | 0.7478 | 1.1926 | NA | 1.1569 | NA | NA | NA | NA | NA | 0.9166 | NA | 0.9860 | NA | NA |
| 3-HYDROXYBUTANOIC ACID | NA | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 3-HYDROXY-DL-KYNURENINE | NA | NA | NA | NA | NA | NA | NA | NA | 1.9822 | NA | 0.4524 | NA | NA | 0.5654 |
| 3-METHOXY-L-TYROSINE | 0.5494 | 1.2099 | 0.9839 | 1.6599 | 0.8146 | 1.4646 | 0.8277 | 1.1243 | 0.7485 | 0.7385 | 0.8893 | 1.2450 | 1.1090 | 1.1793 |
| 3-METHOXYTYRAMINE | NA | NA | NA | NA | 1.2243 | NA | NA | NA | NA | 1.5465 | NA | NA | 0.2292 | NA |
| 3-METHYL-2-OXINDOLE | NA | NA | NA | 0.6528 | NA | NA | NA | 0.4440 | NA | 2.0294 | NA | NA | 1.2209 | NA |
| 3-METHYLADENINE | NA | NA | NA | NA | 0.8476 | NA | NA | NA | NA | NA | NA | 1.1524 | NA | NA |
| 3-PHOSPHOGLYCERIC ACID | NA | NA | NA | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA |
| 3-UREIDOPROPIONIC ACID | 0.6329 | NA | 1.9997 | 0.5104 | NA | NA | NA | NA | NA | NA | NA | 0.8571 | NA | NA |
| 4-ACETAMIDOBUTANOATE | NA | 0.4729 | 0.2977 | 1.0354 | NA | 1.5977 | 0.9518 | NA | NA | 1.8956 | 1.8751 | 0.3782 | NA | NA |
| 4-AMINOBENZOATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.1658 | NA | 1.4171 |
| 4-AMINOBENZOYLGLUTAMIC ACID | NA | NA | 0.7802 | NA | 0.3985 | NA | NA | 1.1525 | NA | 1.1692 | 0.9552 | 1.0851 | 0.8370 | 1.4918 |
| 4-GUANIDINOBUTANOIC ACID | 0.8500 | NA | NA | NA | 1.0199 | 1.1411 | NA | 1.1022 | 0.7705 | 1.2803 | 0.9822 | 0.4151 | 1.4312 | 0.8366 |
| 4-HYDROXY-3-METHOXYMANDELIC | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.8300 | NA | 1.2818 | 0.8882 |
| 4-HYDROXY-3-METHOXYPHENYLGLYCOL | NA | NA | NA | NA | NA | NA | 1.1287 | NA | NA | NA | NA | NA | 0.5857 | 1.2856 |
| 4-IMIDAZOLEACETIC ACID | NA | NA | 1.2621 | 1.1755 | 1.0608 | NA | 1.5528 | 0.7660 | NA | NA | NA | 0.6300 | 0.6310 | 1.2906 |
| 4-METHYL-2-OXOPENTANOATE | 0.9941 | 0.8466 | 1.2981 | 1.2134 | 0.8859 | 1.0066 | 1.0500 | 0.9885 | 0.8714 | 1.1180 | 0.9275 | 1.0108 | 0.9996 | 0.8820 |
| 4-METHYLCATECHOL | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA |
| 4-NITROCATECHOL | NA | NA | 0.7378 | NA | NA | NA | NA | 1.6096 | NA | NA | NA | NA | NA | 0.8263 |
| 4-PYRIDOXATE | 0.5906 | 0.3650 | 0.2365 | NA | 0.4831 | NA | NA | 0.7292 | 1.7535 | 1.6433 | 1.5434 | 1.1375 | 1.0813 | 1.2726 |
| 5ALPHA-PREGNANE-3,20-DIONE | NA | NA | NA | 0.7234 | NA | NA | NA | NA | NA | 1.5532 | NA | NA | NA | NA |
| 5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANOSYL 5`-MONOPHOSPHATE | 0.6404 | 0.7493 | 0.6435 | 1.4627 | 0.5365 | 0.9256 | 1.4277 | NA | 1.1543 | 0.8822 | 0.8509 | 0.6706 | 0.8245 | 1.4506 |
| 5-AMINOLEVULINIC ACID | 0.4140 | NA | NA | NA | 0.7340 | NA | NA | 1.9442 | NA | NA | NA | NA | 0.5160 | 0.9658 |
| 5`-DEOXYADENOSINE | NA | 1.1160 | 0.7934 | 0.5375 | 0.9572 | NA | NA | 0.6150 | 0.4718 | 0.7499 | NA | 3.0994 | 0.5746 | 1.1676 |
| 5-HYDROXYINDOLE-3-ACETIC ACID | NA | NA | 0.1946 | NA | NA | NA | NA | 0.8950 | NA | NA | 0.5396 | 1.1408 | 0.9565 | 1.6099 |
| 5-HYDROXY-L-TRYPTOPHAN | 0.3868 | 0.8177 | NA | NA | 0.2803 | 1.0167 | 0.9734 | NA | NA | 2.3296 | 0.9239 | NA | 0.2841 | 2.2992 |
| 5-HYDROXYMETHYLURACIL | NA | NA | NA | NA | 0.7476 | NA | NA | NA | 0.7169 | NA | NA | NA | 1.5356 | NA |
| 5-HYDROXYPENTANOIC ACID | 0.7894 | 0.8115 | 1.1513 | 1.2435 | 0.7891 | 0.9368 | 1.1712 | 0.8579 | 1.0372 | 1.1835 | 0.8109 | 1.0794 | 0.9055 | 1.1216 |
| 5-METHYLCYTOSINE | NA | NA | NA | 0.9742 | NA | NA | 1.0157 | NA | NA | NA | 0.8297 | NA | NA | 1.1646 |
| 5`-METHYLTHIOADENOSINE | 0.9929 | 1.0369 | 0.9227 | 1.1588 | 0.7891 | 1.2621 | 0.9160 | 0.9034 | 1.1819 | 1.1003 | 0.9216 | 0.8520 | 0.9602 | 1.1244 |
| 5-OXO-PROLINE | 1.1021 | 0.8443 | 0.7163 | 0.9369 | 1.3319 | 1.0803 | 0.6928 | 0.9753 | 1.2388 | 1.3469 | 0.8850 | 1.0233 | 0.9764 | 0.7771 |
| 5-VALEROLACTONE | 1.3747 | 0.7936 | 1.0581 | 1.3199 | 0.6788 | 0.9027 | 0.6420 | 0.9986 | 0.7257 | 0.8862 | 0.8269 | 1.2424 | 1.1593 | 1.4387 |
| 6,7-DIHYDROBIOPTERIN | NA | 1.0025 | 1.2370 | NA | NA | 1.3803 | NA | NA | 0.5711 | 1.1696 | 0.6778 | 1.0555 | 0.4907 | 1.8445 |
| 6-HYDROXYDOPAMINE | 1.0320 | 0.9256 | 0.8427 | 1.0704 | 0.6431 | 1.2513 | 0.7178 | 1.0612 | 0.9827 | 1.1335 | 1.1455 | 1.1928 | 1.0066 | 0.9060 |
| 6-PHOSPHOGLUCONIC ACID | NA | 1.6917 | NA | 0.4942 | 0.5575 | 1.8287 | NA | NA | 1.2054 | NA | 0.5801 | NA | 0.7029 | 1.8878 |
| 7-AMINOCEPHALOSPORANIC ACID | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
| ACETOACETATE | 0.1766 | 0.2057 | 0.5425 | NA | NA | 0.3649 | 0.4359 | 1.8081 | 1.4649 | 1.8113 | 0.3380 | 1.7307 | 0.5616 | 1.2757 |
| ADENINE | 0.3991 | NA | 0.4614 | 0.9668 | 0.8689 | 1.4142 | NA | NA | 0.8547 | 1.1613 | 1.3250 | 0.6136 | 0.6893 | 2.2510 |
| ADENOSINE | 0.4122 | 0.5766 | 0.8324 | 0.3970 | 0.4678 | 0.6054 | 0.3843 | 0.9360 | 0.6880 | 1.7285 | 1.6943 | 1.5230 | 0.7389 | 2.0574 |
| ADENOSINE 2`,3`-CYCLIC MONOPHOSPHATE | NA | 1.5777 | NA | 0.7561 | 1.0302 | 0.6614 | 1.1635 | NA | NA | 0.8110 | NA | NA | NA | NA |
| ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE | 0.8983 | 1.0781 | 1.6952 | 0.7190 | 0.9118 | 1.3784 | 1.1854 | NA | 0.5399 | NA | 0.9990 | 0.4464 | 0.8117 | 1.0176 |
| ADENOSINE 5`-MONOPHOSPHATE | NA | NA | NA | NA | NA | NA | NA | 1.3072 | NA | 0.9512 | 0.7810 | 1.1796 | NA | NA |
| ADENOSINE 5`-TRIPHOSPHATE | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA |
| ADENOSINE DIPHOSPHATE | NA | 1.2245 | 1.0001 | 1.3322 | 1.1498 | 1.2211 | NA | 0.4720 | 0.8206 | 0.7628 | 1.2235 | NA | NA | 0.8759 |
| ADPGLUCOSE | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ADP-RIBOSE | NA | NA | 1.0461 | 0.7969 | NA | NA | 1.0139 | NA | NA | NA | NA | 1.1430 | NA | NA |
| ALANINE | 0.5337 | 0.7844 | 0.6878 | 1.2582 | 0.9610 | 0.9919 | 0.9023 | 1.2350 | 0.9464 | 1.0599 | 0.7378 | 1.0175 | 1.1584 | 1.3550 |
| ALLANTOIN | 1.4938 | NA | NA | 1.5652 | 0.7536 | 0.9621 | NA | 0.5192 | 1.8088 | 0.1569 | 1.6989 | 0.7877 | 0.1169 | 0.3223 |
| ALPHA-TOCOPHEROL | 1.8333 | 0.1602 | 1.2741 | 0.2461 | 0.2024 | 0.3381 | 0.6271 | 1.4752 | 1.4318 | 1.7884 | 1.7958 | 0.2094 | 1.5017 | 0.1509 |
| AMINOBUTANOIC ACID | 1.5224 | 0.5347 | 0.3880 | 0.9677 | 1.0236 | 1.2281 | 1.1339 | 0.9864 | 0.9630 | 0.4518 | 1.5657 | 1.3454 | 0.7086 | 0.8863 |
| AMINOHYDROXYBENZOIC ACID | 1.0177 | 2.0657 | 1.3150 | 1.3924 | 0.9439 | 1.3604 | 1.5539 | 0.5901 | 0.5364 | 0.8308 | 0.6670 | 0.7437 | 0.8484 | 1.3223 |
| AMINOHYDROXYBUTANOIC ACID | 1.1360 | 1.0928 | 0.8451 | 1.1901 | 1.5155 | 0.9058 | 0.7023 | 0.7634 | 0.8293 | 0.8682 | 0.8171 | 1.0428 | 0.7153 | 1.3593 |
| ANILINE | NA | 0.9409 | 0.2081 | 1.1781 | 1.0777 | NA | 1.5952 | NA | NA | NA | NA | NA | NA | NA |
| ANTHRANILATE | NA | 0.2849 | NA | 0.5007 | 0.4286 | 0.3780 | 1.3674 | 0.9405 | 1.2430 | 1.9454 | 0.9380 | 0.8844 | 0.9102 | 1.2297 |
| ARGININE | 0.8106 | 1.2329 | 1.1690 | 1.1666 | 1.3230 | 1.1429 | 1.1076 | 0.7219 | 0.7827 | 0.8391 | 0.7525 | 0.7317 | 0.8475 | 1.5336 |
| ARG-VAL-TRP | 2.8299 | 0.8759 | 1.2534 | 1.0429 | 1.1652 | 0.8305 | 0.8901 | 0.8179 | 0.7382 | 0.9884 | 0.9726 | 0.7957 | 1.0194 | 0.9585 |
| ASCORBATE | NA | NA | NA | NA | 0.3377 | 0.3084 | NA | 3.3271 | NA | 0.8470 | 1.0533 | 1.0525 | 0.7643 | 0.4929 |
| ASPARAGINE | NA | NA | NA | NA | NA | NA | 1.2003 | 1.0888 | NA | NA | NA | 1.1011 | 0.7398 | 1.1303 |
| ASPARTATE | 0.4533 | 0.5150 | 0.4682 | NA | NA | NA | 0.5493 | NA | 0.8307 | 1.4086 | NA | 1.0733 | NA | 1.5672 |
| AZELAIC ACID | NA | NA | 1.2246 | NA | 0.4131 | 0.3750 | 0.9863 | NA | NA | 1.5027 | NA | 1.1913 | 1.2583 | 0.8417 |
| B-ALANYL-N(PAI)-METHYL-L-HISTIDINE | NA | NA | NA | NA | NA | NA | 1.0528 | NA | NA | 0.9472 | NA | NA | NA | NA |
| BENZOIN | NA | NA | NA | NA | NA | NA | NA | NA | 0.6510 | NA | NA | NA | NA | 1.3490 |
| BETAINE | NA | 0.1403 | 0.3065 | NA | 0.3949 | NA | 0.8731 | 0.5108 | 1.6128 | 1.5974 | 1.9414 | 1.2063 | 1.4165 | NA |
| BILIVERDIN | 2.0009 | 1.2442 | 1.5698 | 1.8508 | 1.2001 | 1.4424 | 1.6465 | 0.6786 | 0.5767 | 0.7767 | 0.4289 | 0.5316 | 0.3582 | 0.5681 |
| BIOTIN | 1.4636 | 1.1345 | 1.9255 | 2.1688 | 0.8810 | 1.6024 | 1.1138 | 0.8015 | 0.6166 | 0.6126 | 0.5151 | 0.8309 | 0.7206 | 0.8122 |
| BIS(2-ETHYLHEXYL)PHTHALATE | 0.6307 | 0.7503 | 0.5919 | 1.2970 | 1.3379 | 0.8468 | 0.9650 | 0.9683 | 0.8940 | 0.5377 | 0.4679 | 0.5891 | 3.0857 | 0.5023 |
| BISPHOSPHOGLYCERATE | NA | 0.7372 | 1.2057 | 0.8965 | 0.2691 | 1.2283 | 0.7167 | NA | 0.8599 | 0.8024 | 1.1252 | 0.9219 | 1.2907 | 1.3370 |
| BIURET | NA | NA | NA | NA | NA | NA | NA | NA | 0.9402 | NA | NA | NA | NA | 1.0598 |
| BOC-ALA-OH | 0.7906 | 0.7724 | 0.9457 | 0.8292 | 0.9143 | 0.8343 | 0.8733 | 1.1279 | 1.1132 | 1.1236 | 0.9595 | 1.0800 | 1.1234 | 1.1388 |
| BOC-ASP-OH | 0.7620 | 0.6967 | 0.8871 | NA | NA | 0.8203 | 0.6805 | 1.0904 | 1.1348 | 1.0840 | 0.9674 | 1.0852 | 1.1434 | 1.1837 |
| BOC-GLY-OH | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0501 | NA | 1.1503 | NA | 0.7996 |
| BOC-HIS-OH | NA | 0.6691 | 1.8104 | 0.5427 | NA | 0.6981 | 0.3374 | 1.9414 | 0.8369 | 1.0320 | 0.9572 | NA | 0.7156 | 1.3326 |
| BOC-LYS-OH | NA | 0.7776 | 1.6368 | 1.1506 | 0.8044 | 1.1635 | 2.2128 | 0.1000 | 1.1064 | 0.6499 | 0.8209 | 0.4689 | 1.1600 | 0.6521 |
| BOC-PRO-OH | 0.7029 | NA | 0.6943 | NA | 0.6304 | 0.3846 | 0.3329 | 1.0478 | 1.0369 | 0.6714 | NA | 0.9547 | 1.4456 | 2.3405 |
| CAFFEIC ACID | NA | NA | NA | 1.6680 | 0.7678 | 0.5293 | NA | 0.3635 | 1.7579 | 1.8964 | NA | 0.4878 | NA | NA |
| CAFFEINE | NA | 0.4159 | 0.7124 | 1.2389 | 0.4857 | 0.4469 | 1.0297 | 2.1225 | 0.9794 | NA | 0.5754 | 0.6799 | 1.7569 | 1.4598 |
| CAPECITABINE | NA | NA | NA | 0.2638 | NA | NA | NA | 0.8009 | 1.2107 | 0.8296 | 1.0982 | 0.9571 | 1.1204 | 1.2104 |
| CARNOSINE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| CHOLESTA-5,7-DIEN-3BETA-OL | NA | NA | NA | 0.5201 | NA | NA | NA | NA | NA | 1.1926 | 0.6251 | 2.0523 | NA | 0.8049 |
| CHOLESTEROL | NA | NA | NA | NA | NA | 0.9142 | 1.9197 | NA | 0.8050 | 0.5561 | NA | NA | NA | NA |
| CHOLIC ACID | NA | NA | NA | 0.6521 | 3.7326 | 0.7098 | NA | NA | 0.0156 | 2.2603 | 0.7330 | 0.0838 | NA | 0.0797 |
| CIS-7,10,13,16-DOCOSATETRAENOIC ACID | NA | NA | NA | 1.4905 | NA | NA | NA | NA | NA | 0.5095 | NA | NA | NA | NA |
| CITRAMALATE | NA | 0.5300 | NA | 2.0318 | NA | 0.6399 | 0.4023 | 1.2945 | 0.8819 | 1.1359 | NA | 1.3162 | 0.7008 | 0.9720 |
| CITRATE | 2.1671 | 0.5640 | 0.7799 | 0.6472 | 0.5985 | 0.7769 | 0.5032 | 1.4537 | 0.9897 | 1.6595 | 1.0628 | 1.0785 | 1.2495 | 1.0229 |
| CITRULLINE | NA | NA | NA | 1.0016 | 0.8329 | 1.1119 | 0.6515 | 1.1379 | NA | 1.2302 | 0.9179 | 1.0814 | 0.9450 | NA |
| CORTICOSTERONE | NA | 0.7941 | 0.8051 | 0.8168 | 1.1899 | 0.7289 | 0.7266 | 0.8620 | 1.3087 | 1.4728 | 0.8407 | 0.9743 | 1.5147 | 1.0990 |
| CORTISOL | 0.7174 | 0.9133 | 1.0216 | 1.7048 | 0.6557 | 1.2925 | 1.5289 | 0.5883 | 0.8119 | 1.1988 | 0.8369 | 0.8033 | 0.9710 | 0.8232 |
| CORTISOL 21-ACETATE | 0.4773 | 1.5752 | NA | 4.1423 | 0.4780 | NA | 2.4602 | 0.5392 | 0.8615 | 1.0949 | 0.6339 | 0.9753 | 0.6217 | 0.4465 |
| CORTISONE | 0.3013 | 1.0163 | NA | NA | 1.0657 | 1.3108 | 0.7396 | 0.1793 | 0.9157 | 1.5610 | 1.1505 | 1.2445 | 0.3507 | 0.8436 |
| CREATINE | 0.6460 | 1.2956 | 1.1154 | 1.6508 | 1.1471 | 1.1498 | 1.0700 | 0.7669 | 1.2501 | 0.9183 | 0.7892 | 0.5532 | 0.7986 | 1.0115 |
| CREATININE | 0.7549 | 0.8968 | 0.9523 | 1.1155 | 0.7706 | 1.0822 | 0.9547 | 1.0851 | 0.9010 | 1.1495 | 0.8546 | 1.0989 | 1.0912 | 1.0818 |
| CREATININE FROM COMPLEX | 1.0222 | 0.9208 | 1.0386 | 0.9596 | 0.5791 | 0.6234 | 1.1221 | 1.3565 | 0.8387 | 1.2622 | 0.9534 | 1.0222 | 1.1803 | 1.0024 |
| CYCLOHEX-1-ENECARBOXYLIC ACID | 0.8815 | 0.7176 | 0.6186 | 1.0356 | NA | NA | 0.5872 | NA | 2.4481 | NA | 0.9939 | NA | NA | NA |
| CYCLOHEXANE-1,3-DIONE | 1.0861 | 0.9082 | 1.6272 | 1.4622 | 0.6224 | 1.3244 | 1.0670 | 0.7448 | 0.8116 | 0.8296 | 1.1398 | 1.2798 | 1.3479 | 0.5578 |
| CYCLOHEXYLAMINE | NA | 1.8051 | 0.8092 | 1.2235 | 0.7859 | NA | NA | 0.4327 | 0.9309 | 0.8689 | 1.4589 | NA | NA | 1.0994 |
| CYS-GLY, OXIDIZED | NA | NA | 1.3563 | NA | 1.2085 | NA | 0.7757 | 0.5454 | NA | 1.1347 | NA | NA | NA | 0.9794 |
| CYSTAMINE | NA | 0.8239 | NA | NA | NA | 0.8215 | 1.2679 | NA | 0.9374 | NA | 0.9397 | 1.2029 | 0.8983 | 0.9056 |
| CYSTATHIONINE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.7391 | NA | 1.2609 |
| CYSTEIC ACID | NA | NA | NA | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA |
| CYSTINE | 0.8128 | 0.7139 | 1.0549 | 0.8318 | 1.1004 | 0.8582 | 1.1029 | 1.2180 | 1.1750 | 0.8542 | 1.1051 | 1.0463 | 0.9994 | 1.1061 |
| CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE (CCMP) | NA | NA | NA | NA | NA | 0.6669 | 1.7781 | NA | NA | NA | 0.7324 | NA | 0.8227 | NA |
| CYTIDINE 5`-DIPHOSPHATE | 0.8060 | NA | NA | 0.7394 | 0.6541 | 0.9482 | NA | 1.0929 | 1.1961 | NA | 1.4199 | 1.1655 | 0.5178 | 0.9848 |
| CYTIDINE 5`-DIPHOSPHOCHOLINE | 1.2681 | NA | 0.4985 | NA | 1.0510 | NA | NA | NA | NA | NA | NA | 1.5769 | NA | 0.8027 |
| CYTIDINE 5`-MONOPHOSPHATE | NA | NA | 0.9965 | 0.4554 | NA | 0.7623 | 0.7801 | 0.8119 | 0.8867 | 1.1699 | 0.4958 | 1.3771 | 1.5453 | 1.4151 |
| CYTIDINE 5`-TRIPHOSPHATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA | NA | NA |
| CYTOSINE | 0.8842 | NA | 1.3288 | 0.7704 | 1.0811 | 0.5930 | 0.5769 | 1.4660 | 1.1210 | 1.2818 | 0.7224 | 0.8408 | 1.2599 | 0.9754 |
| DEHYDROASCORBATE | NA | NA | 1.1531 | NA | NA | 0.7323 | NA | NA | NA | NA | 1.1146 | NA | NA | NA |
| DEOXYCARNITINE | NA | 0.5188 | 0.6057 | NA | NA | NA | 1.2383 | 1.4487 | 1.1581 | 1.1665 | 0.4133 | 1.4755 | 1.0653 | 0.9829 |
| DEOXYCHOLATE | 0.5514 | 0.6988 | 0.7601 | 0.7232 | 1.3650 | 1.0222 | 0.5672 | 1.4130 | 0.8816 | 1.8572 | 1.4490 | 0.5874 | 0.6943 | 1.2538 |
| DEOXYCORTICOSTERONE | NA | 1.6100 | 2.3830 | 1.4735 | 0.6978 | 2.2182 | 1.3088 | 0.9130 | 0.6096 | 0.3456 | 0.4880 | 0.7931 | 0.3409 | 0.3088 |
| DEOXYRIBOSE | 0.5517 | NA | 0.3664 | NA | NA | 1.4224 | 0.9494 | NA | 1.7207 | NA | 0.5482 | 1.2018 | 0.7319 | NA |
| DEOXYURIDINE | NA | NA | NA | NA | 0.6072 | 0.8336 | NA | 1.9797 | NA | 0.7326 | NA | NA | 0.8469 | NA |
| DETHIOBIOTIN | NA | 1.0096 | NA | NA | NA | NA | NA | NA | NA | 0.8619 | NA | 0.4109 | 1.7176 | NA |
| DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY) | NA | NA | NA | 0.5308 | NA | NA | NA | NA | NA | NA | NA | NA | 1.9385 | NA |
| DIACYLGLYCEROPHOSPHOGLYCEROL (POSSIBLY) | NA | NA | NA | 0.4654 | 0.9140 | 0.4092 | 3.5634 | NA | 0.3557 | 1.4524 | 0.7334 | 0.5911 | 1.1597 | NA |
| DIACYL-PHOSPHATIDYLCHOLINE | NA | 1.0818 | 2.1569 | 0.4531 | NA | NA | 0.6576 | 0.7827 | 0.8678 | NA | NA | NA | NA | NA |
| DIETHANOLAMINE | NA | 2.0973 | NA | NA | 0.6433 | 2.0703 | NA | NA | 0.5717 | 0.7567 | 0.8134 | 0.6562 | 0.5703 | 0.6381 |
| DIETHYL AMINOMALONATE | NA | 1.0210 | 0.8027 | 1.0815 | 0.6229 | 1.3973 | 2.0348 | NA | NA | NA | 0.6252 | 0.7576 | 0.9168 | NA |
| DIHEXOSE | 0.2528 | 0.4852 | 1.2113 | 0.8677 | 0.6885 | 0.6477 | 0.8092 | 1.1442 | 1.2124 | 1.4622 | 0.5433 | 0.9812 | 1.0197 | 1.7945 |
| DIHYDROFOLATE | 0.6143 | 0.8796 | 1.0350 | 1.6729 | 1.3025 | NA | 0.8633 | 0.8533 | 1.2677 | 1.2231 | NA | NA | 0.8116 | 1.0513 |
| DIHYDROOROTATE | NA | 0.9595 | 1.7993 | 2.3474 | 0.1833 | 2.1359 | 0.9605 | 0.8210 | 1.4751 | 0.4680 | 0.1032 | 0.4904 | 0.2562 | 1.5513 |
| DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (POSSIBLY) | 1.6357 | NA | 1.6678 | 2.4945 | NA | NA | NA | NA | NA | 0.0652 | 0.0571 | NA | 0.0796 | NA |
| DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (PROBABLY) | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA | NA | NA |
| DIMETHYLBENZIMIDAZOLE | 1.1159 | 1.1773 | 0.9563 | 0.8244 | 0.2994 | NA | 1.2393 | 0.7341 | 1.0506 | 0.9849 | 0.4204 | 1.3306 | 1.2628 | 0.8810 |
| DIMETHYL MALEATE | NA | 1.3317 | NA | 1.2254 | 0.9235 | NA | NA | 1.0282 | 0.5955 | 0.9583 | 0.4744 | 0.8702 | 1.2361 | 1.4872 |
| DIMETHYLXANTHINE | NA | 0.6192 | 0.6153 | 0.8773 | 0.6159 | 0.6931 | 1.3664 | 1.6751 | 0.8515 | 0.3746 | 0.7658 | 0.6615 | 4.1461 | 1.8953 |
| DIOLEOYLPHOSPHATIDYLCHOLINE | NA | 1.7070 | NA | NA | 0.8538 | 1.0153 | NA | 1.0743 | NA | NA | NA | 0.9205 | 0.5312 | 1.4309 |
| DOCOSAHEXAENOIC ACID | 1.1743 | 0.5826 | 1.0044 | 0.8193 | 0.8099 | 0.6629 | 0.9572 | 1.3336 | 0.9584 | 1.0111 | 1.0440 | 1.3655 | 1.1924 | 0.9791 |
| DOPAMINE | NA | NA | NA | NA | NA | 1.3052 | 0.9643 | NA | 0.7550 | NA | NA | 0.9150 | 1.0303 | NA |
| ENKEPHALINE, (D-ALA)2-LEU | NA | 0.9551 | NA | NA | NA | 1.0050 | NA | NA | NA | NA | 1.3166 | 0.9047 | 0.7796 | 1.3994 |
| EPINEPHRINE | 0.6586 | 1.0188 | 1.1402 | 1.1481 | 0.9368 | 1.1954 | 1.0600 | 0.8572 | 1.0718 | 1.0306 | 0.9800 | 0.8252 | 1.0095 | 0.9590 |
| ERYTHRITOL | 1.7285 | 1.2300 | 1.4771 | 0.9444 | 0.6853 | 0.7820 | 0.7433 | 1.1608 | 1.0170 | 0.8857 | 0.7519 | 1.0667 | 0.9950 | 1.0701 |
| ESTRADIOL 17 ALPHA | NA | NA | NA | NA | NA | NA | NA | 1.9349 | 1.0863 | 1.3712 | 0.2591 | NA | 0.3485 | NA |
| ETHANOLAMINE | NA | 0.7808 | NA | 0.8287 | NA | 1.1599 | 1.1275 | 1.1687 | 1.1910 | NA | 0.3747 | NA | 0.6730 | 1.4159 |
| ETHYL 3-INDOLE ACETATE | 1.6036 | NA | 1.7767 | NA | NA | NA | NA | NA | NA | NA | NA | 0.3830 | NA | 0.2367 |
| ETHYL 4-OXOCYCLOHEXANECARBOXYLATE | NA | 0.3818 | 0.7843 | 1.1450 | 0.8845 | 1.1423 | 0.4322 | 1.5639 | 0.8803 | 0.7260 | 0.9209 | 1.2189 | 1.2339 | 0.8776 |
| FERULATE | 0.4541 | 0.6657 | 0.6565 | 0.5778 | 0.5543 | 0.8401 | 0.7067 | 0.9453 | 0.9265 | 1.4785 | 1.0488 | 1.1552 | 1.8895 | 1.7353 |
| FLAVIN ADENINE DINUCLEOTIDE | NA | 0.4796 | 0.8379 | 0.5982 | 1.0214 | NA | 1.8668 | 1.4558 | 0.6905 | 0.6512 | 1.2089 | 0.9533 | 1.0451 | 1.1467 |
| FOLIC ACID | NA | NA | NA | 1.3352 | NA | NA | NA | NA | 0.6648 | NA | NA | NA | NA | NA |
| FORMYL-L-METHIONINE | 0.6269 | NA | NA | 0.7669 | NA | 0.7866 | 1.4323 | NA | NA | NA | NA | NA | NA | 0.9549 |
| FRUCTOSE 1,6-BIPHOSPHATE | NA | NA | NA | NA | NA | 0.3008 | NA | NA | 0.7218 | 1.2854 | NA | NA | 1.4066 | NA |
| GAMMA-BUTYROLACTONE | NA | NA | 2.5993 | 1.0466 | 0.6419 | 0.5985 | 0.5182 | 1.2266 | 0.6364 | 1.9366 | NA | NA | 0.3442 | 0.3631 |
| GLUCARIC/GULARIC/SACCHARIC ACID | NA | NA | NA | NA | NA | NA | NA | 1.0673 | 0.8110 | NA | 1.1158 | 0.8182 | 0.7939 | 1.2999 |
| GLUCONIC ACID | 1.7096 | NA | 0.2426 | NA | 0.6566 | 1.7871 | NA | 2.9972 | 0.5203 | 1.9752 | 0.3111 | 0.2461 | 0.2432 | NA |
| GLUCOSAMINATE | NA | NA | NA | NA | NA | 1.4952 | 0.6598 | NA | NA | NA | NA | NA | 0.9225 | NA |
| GLUCOSAMINE 6-PHOSPHATE | NA | 0.6148 | NA | NA | NA | NA | NA | NA | 0.7230 | NA | NA | 0.8148 | 0.7984 | 2.0491 |
| GLUTAMIC ACID | NA | 0.4927 | 0.5703 | 1.4078 | 0.0982 | NA | 0.4964 | 1.5675 | NA | 0.5184 | NA | 1.5166 | NA | 2.3320 |
| GLUTAMINE | 0.9754 | 0.9791 | 1.0148 | 1.1942 | 1.1258 | 1.1723 | 0.9646 | 0.9784 | 0.8572 | 0.9894 | 0.8221 | 0.9805 | 1.0008 | 1.0464 |
| GLUTARATE | NA | 1.0016 | 0.6876 | 2.3997 | 0.6420 | 1.0140 | 1.0007 | 0.7945 | 1.5675 | 0.8096 | NA | 0.8577 | 1.2509 | 1.0538 |
| GLUTATHIONE | NA | NA | 0.5990 | NA | NA | NA | NA | 1.3814 | NA | 1.1626 | NA | 0.4894 | NA | 1.3842 |
| GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETAL | NA | 0.9597 | NA | NA | 1.2249 | NA | 1.2511 | NA | 0.8530 | NA | 0.7931 | 0.6932 | NA | NA |
| GLYCERIC ACID | NA | 1.4204 | 0.8590 | NA | NA | NA | NA | NA | 0.2975 | 1.9397 | NA | NA | 0.4834 | NA |
| GLYCEROL PHOSPHATE | NA | 0.4038 | 1.5698 | 0.7124 | NA | NA | 0.8696 | 1.0247 | 1.4207 | 1.0199 | NA | NA | 1.0897 | NA |
| GLYCINE | 0.5152 | 0.3568 | 1.1006 | 1.5946 | 0.9117 | 0.6581 | 0.8051 | 1.0198 | 1.5943 | 1.1364 | 0.5272 | 0.9803 | 0.7076 | 1.4181 |
| GLYCOCHOLATE | 0.3672 | 1.1995 | 1.2491 | 0.8666 | 0.4730 | 2.1114 | 0.7003 | 0.8828 | 1.0632 | 0.8402 | 0.9077 | 0.5762 | 1.2135 | 1.0480 |
| GLYCOLITHOCHOLIC ACID ETHYL ESTER | NA | 1.5043 | 1.0375 | 1.8400 | 0.9334 | 1.4652 | 1.6125 | 0.9763 | 0.7911 | 0.4842 | 0.7938 | 0.5978 | 0.7317 | 1.3429 |
| GUANIDINOACETATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| GUANINE | 0.9182 | 1.0657 | 0.8447 | 1.2837 | 1.0228 | 1.3263 | 0.9111 | 0.8478 | 0.8981 | 0.9307 | 0.8319 | 0.9750 | 0.9293 | 1.2608 |
| GUANOSINE | 1.0884 | 1.0945 | 1.9919 | 0.3886 | 1.5120 | 1.5320 | 1.6699 | 0.2797 | 0.9354 | 0.5048 | 0.4096 | 0.5247 | 0.9662 | 0.9406 |
| GUANOSINE 5`-DIPHOSPHATE | NA | 1.0794 | NA | 1.5216 | NA | 0.6230 | NA | NA | 1.1467 | NA | NA | NA | NA | 0.6293 |
| GULONO-1,4-LACTONE | NA | 0.7233 | NA | 1.0640 | NA | NA | 1.0010 | NA | NA | NA | 0.9332 | NA | 0.5082 | 1.7064 |
| HEXITOL | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| HEXOSE | 0.8502 | 0.8858 | 0.9268 | 1.1114 | 0.9155 | 1.0765 | 0.9839 | 1.0014 | 0.9901 | 1.0209 | 0.9500 | 1.0690 | 1.0330 | 1.0527 |
| HIPPURATE | 0.0960 | 0.5919 | 0.9465 | 1.1786 | 0.9723 | 1.0424 | 0.0682 | 2.3060 | 0.9212 | 0.8722 | 0.7314 | 1.3976 | 0.9164 | 0.7753 |
| HISTIDINE | 0.3402 | 0.6608 | 0.6019 | 1.8556 | 1.4099 | NA | 1.0810 | 1.3059 | 0.6249 | 1.0954 | 0.8215 | 1.0312 | NA | 1.0655 |
| HISTIDINOL | NA | NA | NA | 0.9067 | NA | 0.9429 | NA | NA | 1.1708 | NA | NA | NA | 0.9898 | NA |
| HOMOCYSTEINE THIOLACTONE | NA | NA | NA | 1.1425 | NA | NA | NA | NA | 0.9477 | NA | 0.7800 | NA | NA | 1.1821 |
| HOMOCYSTINE | NA | NA | NA | NA | NA | NA | NA | NA | 1.8779 | NA | NA | NA | NA | 0.1221 |
| HOMOGENTISATE | 1.1033 | 0.4069 | NA | 1.1347 | 0.2178 | 0.3439 | NA | 1.2641 | 0.7111 | NA | 1.2051 | 1.9360 | 0.9974 | NA |
| HOMOSERINE | 1.4656 | 1.2415 | 0.4290 | 1.6439 | 1.4701 | 1.4859 | NA | NA | 0.9573 | 0.6792 | 0.6434 | NA | 0.6623 | 0.6870 |
| HYDROQUINONE | NA | NA | NA | 1.3245 | NA | NA | NA | NA | NA | NA | NA | NA | 0.6755 | NA |
| HYDROXYBENZOIC ACID | NA | 0.2356 | NA | NA | 1.4611 | NA | 1.6015 | NA | NA | NA | 0.2739 | NA | 3.4221 | 0.3659 |
| HYDROXYPHENYLACETIC / MANDELIC ACID | 1.2619 | 0.7963 | 2.2014 | 1.0562 | 0.9830 | 1.5316 | 1.1516 | 0.4537 | 0.7700 | 0.9879 | 0.8513 | 1.0225 | 0.9818 | 1.0943 |
| HYPOXANTHINE | 0.8170 | 0.8892 | 1.1734 | 2.0590 | 1.0910 | 1.0737 | 1.0373 | 0.7771 | 0.7274 | 0.7610 | 0.7499 | 1.1439 | 0.7053 | 1.0432 |
| INDOLE-3-ACETAMIDE | NA | 0.6914 | 1.1636 | 1.6150 | NA | NA | NA | NA | 0.2974 | 3.0071 | 0.1924 | 0.3416 | NA | NA |
| INDOLE-3-ACETIC ACID | 0.2181 | 0.6057 | 0.4892 | 0.8361 | 0.7187 | 0.4794 | 0.4479 | 1.0532 | 1.1459 | 0.9651 | 0.7063 | 1.7963 | 1.1581 | 2.0688 |
| INDOLE-3-ETHANOL | NA | NA | NA | NA | NA | NA | NA | NA | 0.8146 | NA | NA | NA | 1.1854 | NA |
| INDOXYL | NA | NA | NA | NA | NA | 1.0737 | NA | 0.4424 | NA | NA | NA | NA | 1.2992 | 1.1847 |
| INOSINE | 0.6993 | 0.7716 | 2.5043 | 0.8510 | 1.4936 | 0.9824 | 1.3212 | 0.4612 | 1.0894 | 0.6156 | 0.6054 | 0.6542 | 1.0192 | 0.9882 |
| INOSINE 5`-DIPHOSPHATE | 1.2618 | 0.8607 | 0.2595 | 1.1349 | 0.6260 | 0.9380 | 0.6251 | 1.2373 | 0.8002 | 0.9893 | 1.7641 | 1.0434 | 0.8731 | 1.2243 |
| INOSINE 5`-MONOPHOSPHATE | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ISOCITRIC ACID | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.6501 | 1.1749 | NA | NA | NA |
| ISOLEUCINE | NA | NA | 0.8730 | NA | NA | NA | NA | NA | 1.1394 | NA | NA | NA | 0.9876 | NA |
| KYNURENIC ACID | 0.6386 | 0.9676 | NA | NA | NA | NA | 0.8593 | 1.0786 | 1.0530 | NA | 0.9350 | 1.2423 | 1.0408 | 0.8758 |
| KYNURENINE | 0.5455 | 0.9620 | 0.9303 | 0.9550 | 0.7973 | 0.8238 | 1.3178 | 1.0788 | 1.1779 | 1.0632 | 0.8645 | 0.9580 | 1.0919 | 1.0858 |
| LAUROYLCARNITINE | 1.0430 | 1.1294 | 2.0875 | 1.1215 | 0.5717 | 0.8211 | 0.9481 | 1.2835 | 1.1184 | 1.4315 | 0.8390 | 0.6086 | 0.7443 | 0.6021 |
| LEUCENOL | NA | 1.5418 | 0.1096 | 1.1743 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| LEUCINE | 0.4816 | 1.4684 | 0.6100 | 0.7327 | 0.4867 | 2.0130 | 1.2201 | 0.5879 | 0.5683 | 1.2770 | 0.9943 | 0.6757 | 0.6120 | 1.9664 |
| LL-2,6-DIAMINOHEPTANEDIOATE | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| LUMICHROME | NA | NA | NA | NA | NA | NA | NA | NA | 0.1401 | 1.6736 | 1.1863 | NA | NA | NA |
| LYSINE | 0.7858 | 1.0176 | 0.8120 | 1.0626 | 1.1063 | 1.0149 | 0.8138 | 0.9071 | 1.0119 | 0.9952 | 0.8495 | 1.0568 | 0.9453 | 1.3900 |
| MALATE | 0.8979 | NA | NA | 0.7555 | 0.4102 | NA | NA | NA | 1.3046 | 1.6318 | NA | NA | NA | NA |
| MALTOSE | NA | 0.7506 | NA | 1.7336 | NA | NA | NA | 1.1229 | 0.7726 | 1.2872 | 0.6066 | NA | 0.8418 | 1.6714 |
| MANNOSE-6-PHOSPHATE | NA | 0.4339 | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.7028 | NA | 0.9317 |
| MELATONIN | NA | 0.9995 | 0.5291 | 1.6963 | NA | NA | 1.5289 | 0.7060 | 0.8570 | 0.9072 | 0.7280 | 0.9558 | 0.9271 | 0.9256 |
| METHIONINE | 0.9121 | 1.0878 | 0.8703 | 1.3035 | 1.0084 | 1.3387 | 0.9141 | 0.8245 | 0.8803 | 0.9624 | 0.8182 | 0.9695 | 0.9085 | 1.2590 |
| METHIONINE SULFOXIMINE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| METHYL ACETOACETATE | NA | 0.4440 | 0.6523 | NA | NA | NA | 1.4332 | NA | 0.9214 | NA | 0.8235 | 1.0779 | NA | 1.3131 |
| METHYL INDOLE-3-ACETATE | 0.9602 | 0.7063 | 0.7327 | 0.5619 | 0.6641 | 0.6778 | 0.1883 | 0.9910 | 0.9234 | 1.1863 | 0.8576 | 1.1995 | 1.4818 | 1.1936 |
| METHYL JASMONATE | 0.8806 | 0.8449 | 0.9990 | 1.0024 | 1.0534 | 0.9659 | 0.9767 | 1.0289 | 1.0632 | 1.0558 | 0.9444 | 0.9583 | 1.0665 | 1.0376 |
| METHYL PARABEN | NA | NA | NA | NA | NA | 0.1307 | 0.3206 | 1.0987 | 0.9660 | 1.2436 | 1.0814 | 1.0720 | 1.2641 | 1.4219 |
| MEVALOLACTONE | NA | NA | NA | 0.8266 | NA | NA | NA | 1.0229 | NA | NA | NA | NA | 0.6970 | 1.4534 |
| MONO-METHYL GLUTARATE | NA | NA | 0.4166 | NA | NA | 0.4163 | NA | NA | 0.4453 | NA | 0.2540 | 0.3022 | 0.3494 | 2.5046 |
| N1-ACETYLSPERMINE | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA | NA | NA |
| N6-(DELTA2-ISOPENTENYL)-ADENINE | NA | 0.3559 | NA | 2.0041 | 0.9613 | NA | NA | 0.7187 | 0.5782 | NA | 0.7461 | NA | 0.8589 | 1.6400 |
| N-ACETYL-D-GALACTOSAMINE | NA | NA | NA | 0.4517 | NA | 1.2102 | NA | NA | NA | 1.2764 | 1.2980 | 1.3120 | NA | NA |
| N-ACETYL-D-HEXOSAMINE | NA | NA | NA | NA | NA | NA | NA | 0.8640 | 0.8995 | NA | NA | 1.2493 | NA | 0.9871 |
| N-ACETYL-DL-GLUTAMIC ACID | NA | NA | NA | NA | NA | NA | NA | NA | 1.3141 | 2.4420 | 0.4183 | NA | NA | 0.2558 |
| N-ACETYL-DL-METHIONINE | NA | NA | 0.3243 | NA | 0.7174 | 2.6456 | NA | NA | 0.6434 | NA | NA | NA | NA | 0.6693 |
| N-ACETYL-D-TRYPTOPHAN | NA | 0.7823 | 1.0004 | 1.6693 | 1.3720 | NA | 1.0324 | 1.1552 | 0.9214 | 1.0518 | 0.7615 | 1.0252 | 0.7002 | 0.5221 |
| N-ACETYL-L-ALANINE | 0.6666 | 0.9799 | 1.3574 | 1.4611 | 0.8091 | 1.1916 | 1.0666 | 0.4489 | 0.8591 | 1.3135 | 0.8282 | 0.8448 | 0.9918 | 1.0034 |
| N-ACETYL-L-ASPARTIC ACID | 0.8975 | 0.6490 | NA | NA | NA | 0.6531 | 1.3663 | NA | 0.9845 | NA | 0.6060 | NA | NA | 1.8592 |
| N-ACETYL-L-CYSTEINE | NA | NA | NA | 0.1717 | NA | 1.0578 | NA | 1.2883 | NA | NA | NA | 1.3548 | 0.7148 | NA |
| N-ACETYL-L-LEUCINE | 0.7432 | 1.1211 | 1.2743 | 0.5734 | 0.6611 | 0.6972 | 1.5111 | 1.5017 | 1.0032 | 0.3383 | 0.8795 | 0.7958 | 0.9558 | 1.5537 |
| N-ACETYL-L-PHENYLALANINE | NA | 0.9297 | NA | 1.6844 | 1.5221 | NA | 0.4156 | 1.2664 | 0.9033 | 0.5819 | 0.5605 | 1.3632 | 0.5955 | 0.9995 |
| N-ACETYLNEURAMINATE | NA | NA | NA | 0.2770 | NA | NA | NA | 1.4831 | NA | 0.7814 | 0.5837 | 1.6273 | 0.5088 | 1.7386 |
| N-ACETYLPUTRESCINE | NA | NA | NA | NA | 1.0404 | NA | NA | NA | NA | NA | NA | 0.9596 | NA | NA |
| N-ACETYLSEROTONIN | NA | 0.6465 | 0.9043 | 1.0623 | 0.9611 | 1.7677 | 1.0529 | 1.0058 | 0.8397 | 0.1932 | 0.8869 | 0.6000 | 1.2549 | 1.2739 |
| N-ALPHA-ACETYL-L-ASPARAGINE | NA | NA | NA | NA | 0.3080 | NA | 0.2716 | 0.9296 | 1.1101 | 0.2416 | NA | 1.7548 | 1.4482 | NA |
| N-ALPHA-ACETYL-L-LYSINE | NA | NA | 1.6695 | NA | NA | 0.3305 | NA | NA | NA | NA | NA | NA | NA | NA |
| N-AMIDINO-L-ASPARTATE | 0.7092 | 1.0091 | 1.0102 | 1.0818 | 1.0271 | 1.0848 | 1.0935 | 1.0696 | 0.9474 | 1.0914 | 0.8227 | 1.0711 | 0.9778 | 0.9358 |
| N-CYCLOHEXYLFORMAMIDE | NA | 0.5147 | NA | NA | 0.3335 | NA | 0.1902 | 0.7998 | 2.1697 | 1.2541 | 1.0054 | 0.3906 | 1.2672 | 1.7908 |
| N-CYCLOHEXYLSULFAMIC ACID | NA | 0.5880 | NA | 1.5445 | 1.1612 | 0.6946 | NA | 3.2109 | 0.8250 | 0.3719 | 0.7434 | 1.4850 | 1.0224 | 0.6047 |
| N-ETHYLMALEIMIDE | NA | NA | 0.9878 | NA | 0.7587 | 0.5798 | 0.5334 | 1.0779 | 0.6592 | 0.6814 | 0.7919 | 1.4279 | 1.6022 | 0.8250 |
| NICOTINAMIDE | 0.1908 | 0.8361 | 0.9329 | 1.2532 | 0.9297 | 0.4719 | 1.0103 | 0.9797 | 1.0623 | 1.4018 | 0.6202 | 0.9539 | 1.1538 | 1.4686 |
| NICOTINAMIDE ADENINE DINUCLEOTIDE | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA | NA | NA |
| NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE | NA | NA | 0.8246 | NA | NA | NA | NA | 1.2767 | NA | NA | NA | 1.1279 | 0.9065 | 0.7364 |
| NICOTINAMIDE MONONUCLEOTIDE | NA | 0.9202 | 1.2227 | 1.0281 | NA | NA | NA | 0.7612 | 1.0323 | 0.7677 | 0.8002 | 1.3639 | 0.5477 | 1.1850 |
| NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE | NA | NA | 0.8241 | NA | NA | NA | NA | 1.2759 | NA | NA | NA | 1.1269 | 0.9077 | 0.7384 |
| N-METHYLANILINE | NA | NA | 0.6753 | 1.3142 | NA | 0.6962 | NA | NA | NA | NA | NA | NA | NA | NA |
| N,N-DIMETHYL-1,4-PHENYLENEDIAMINE | NA | NA | 0.6182 | NA | 0.8909 | 0.7614 | 2.2247 | NA | NA | 0.8308 | NA | NA | 0.8430 | 0.8309 |
| N-NITROSODIETHANOLAMINE | NA | NA | NA | 1.6840 | NA | 1.1291 | NA | 1.1103 | NA | NA | 0.0766 | NA | NA | NA |
| N,N,N-TRIMETHYLLYSINE | 0.6667 | 1.2489 | 0.7265 | 1.1379 | 1.1276 | 1.3290 | 0.8517 | 0.8085 | 0.9684 | 0.9293 | 0.9966 | 1.0811 | 0.8515 | 1.1308 |
| N-OLEOYLGLYCINE | NA | 0.9906 | 0.3189 | 1.6413 | 0.7909 | NA | 1.3381 | 0.9662 | 1.1451 | 0.6898 | 0.4299 | 0.7128 | 0.7294 | 1.4580 |
| NORMETANEPHRINE | 0.9381 | 0.6914 | 3.1895 | 0.9752 | 0.7052 | 1.8419 | 0.5831 | 0.5915 | 0.9030 | 0.5563 | 1.1231 | 0.5618 | 1.6339 | 0.5905 |
| N(PAI)-METHYL-L-HISTIDINE | NA | 1.7632 | NA | 0.3357 | 0.4142 | NA | 0.1652 | 2.6636 | 3.2535 | 0.6085 | 0.2465 | 0.3193 | NA | 0.1477 |
| O-ACETYL-L-CARNITINE | 0.7629 | 0.7401 | 1.0955 | 1.0505 | 0.7056 | 0.9133 | 0.8219 | 1.0909 | 1.0989 | 1.3382 | 1.1341 | 0.9407 | 1.0226 | 0.9327 |
| OCTOPAMINE | NA | 0.9000 | 1.4913 | NA | NA | NA | NA | NA | 0.6087 | NA | NA | NA | NA | NA |
| OLEAMIDE | NA | 0.1928 | 0.3873 | 0.4408 | 3.5290 | 0.1814 | 1.2453 | 1.1001 | 2.1876 | 0.5215 | 0.1638 | 0.1556 | 0.5409 | 0.4128 |
| O-PHOSPHO-DL-SERINE | NA | 0.3148 | NA | NA | NA | 1.6852 | NA | NA | NA | NA | NA | NA | NA | NA |
| OPHTHALMIC ACID | NA | NA | NA | NA | 0.5916 | NA | NA | 0.9640 | 1.1336 | 0.6157 | 1.2284 | 1.5028 | NA | NA |
| ORNITHINE | 1.0049 | 0.9274 | 0.7519 | 1.1660 | 0.9785 | 1.0611 | 0.8452 | 0.9483 | 1.2335 | 1.2081 | 0.8805 | 1.0089 | 0.8116 | 1.1121 |
| OROTATE | NA | 0.2769 | 0.6354 | NA | NA | NA | NA | 1.5831 | NA | NA | 1.0537 | NA | 0.9420 | 1.5132 |
| OROTIDINE 5`-MONOPHOSPHATE | 0.9900 | 1.3918 | 1.3810 | 1.0826 | 0.9060 | 0.9122 | NA | 0.9651 | 1.1898 | 0.6931 | 1.1234 | 1.2110 | 1.0231 | 0.4654 |
| O-SUCCINYL-L-HOMOSERINE | NA | NA | NA | NA | NA | NA | NA | NA | 0.4069 | NA | 1.5931 | NA | NA | NA |
| OXOMALONATE | 0.3864 | NA | 0.9442 | NA | NA | NA | 1.1527 | NA | 1.6878 | 0.3162 | NA | 1.2289 | 1.3394 | NA |
| PANTOLACTONE | 1.6480 | 0.5917 | 1.1182 | 1.0240 | 0.7412 | 1.1146 | 0.8899 | 1.6343 | 0.6814 | 1.3427 | 1.0790 | 1.1852 | 0.7271 | 1.2624 |
| PANTOTHENIC ACID | 0.6429 | 0.8760 | 0.9711 | 1.0715 | 0.8830 | 0.9921 | 1.1246 | 0.9875 | 1.0001 | 1.0369 | 0.9682 | 1.0266 | 1.1499 | 0.9949 |
| PARAOXON-METHYL | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA |
| P-BROMO-DL-PHENYLALANINE | 0.4741 | 1.9370 | 1.2637 | 1.6480 | 0.5195 | 0.6098 | 0.7647 | 0.4738 | 0.6697 | 1.4021 | 0.4978 | 0.8272 | 0.8960 | 1.2247 |
| PENICILLAMINE | NA | NA | 0.4720 | 1.3049 | 0.9433 | NA | 1.2128 | 0.6670 | NA | 0.6542 | 1.2898 | 1.4558 | 1.1117 | NA |
| PENTITOL | NA | NA | NA | NA | NA | NA | NA | 0.8732 | NA | 1.0580 | NA | 1.0754 | 0.8774 | NA |
| PENTOPYRANOSE | 0.5715 | 0.8403 | 1.3131 | 0.9800 | 0.8184 | 0.9332 | 0.9875 | 0.8900 | 0.8203 | 0.8406 | 0.9906 | 1.0985 | 1.2641 | 1.2162 |
| PHENETHYLAMINE | NA | NA | 1.4959 | NA | 0.9371 | 0.9847 | 0.9743 | NA | 0.7010 | NA | 0.6869 | 1.3675 | 1.3859 | 1.0929 |
| PHENYLACETIC ACID | NA | 0.3318 | 0.9603 | NA | 1.0229 | 1.8503 | 1.0361 | 0.6806 | 1.0561 | 2.6305 | 1.0436 | 0.4493 | 0.5491 | 0.9211 |
| PHENYLALANINE | 0.8513 | 0.9156 | 1.0273 | 1.2393 | 0.9437 | 0.9713 | 0.9700 | 0.9177 | 0.9486 | 1.0296 | 0.8589 | 0.9849 | 1.0359 | 1.2017 |
| PHENYLETHANOLAMINE | NA | NA | NA | 1.0774 | NA | NA | NA | NA | NA | NA | NA | NA | 0.9226 | NA |
| PHENYLHYDRAZINE | NA | 0.9541 | 0.4911 | 0.5638 | 0.7597 | 1.5822 | 1.1358 | 0.9007 | 0.5844 | 1.0953 | 0.9939 | 1.3099 | NA | 1.9348 |
| PHOSPHOCREATINE | NA | NA | NA | NA | 0.8959 | NA | 1.1170 | NA | NA | NA | 0.8143 | NA | 1.1729 | NA |
| PHOSPHOGLYCERIC ACID | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| PHOSPHONOACETATE | NA | NA | NA | 1.4036 | NA | 1.2995 | 0.3920 | 1.1341 | 1.3059 | NA | NA | 0.5498 | NA | 0.7925 |
| PHTHALATE | 0.4737 | 0.6788 | NA | 1.3009 | 0.8068 | NA | NA | 0.6039 | 0.4266 | 2.3246 | 1.3246 | 0.9033 | 0.5845 | 1.3944 |
| PIPECOLIC ACID | 0.6607 | 0.7694 | 0.8050 | 1.3332 | 0.8170 | 0.9846 | 0.7266 | 0.9171 | 1.0066 | 0.8823 | 0.7431 | 1.0441 | 1.2702 | 1.5982 |
| POSSIBLE L-LEUCYL-L-LEUCINE | 0.5564 | 2.1413 | 2.1697 | NA | 1.4932 | NA | 2.2861 | 0.2938 | 0.1475 | 0.2245 | 0.3018 | 0.3266 | 0.4917 | 1.0247 |
| PREGNENOLONE | NA | 0.3457 | 0.3547 | NA | NA | 2.1158 | NA | NA | 1.3541 | NA | 1.9662 | 1.1921 | 0.7136 | 0.3385 |
| PROGESTERONE | NA | NA | NA | NA | NA | NA | 0.7320 | 1.0218 | NA | NA | NA | 1.2462 | NA | NA |
| PROLINE | 0.7146 | 0.8158 | 0.7293 | 1.1178 | 0.8508 | 1.3329 | 0.8087 | 0.9030 | 0.7956 | 0.9476 | 0.7940 | 1.1120 | 1.1169 | 1.6235 |
| PROMETRYN | NA | NA | 2.5023 | 0.9122 | 0.8428 | 0.3814 | 0.5129 | 0.8281 | 0.7687 | 1.3251 | 0.6670 | NA | NA | 1.3034 |
| PTERIN | NA | 0.9061 | NA | 1.0091 | NA | 0.5740 | NA | NA | NA | NA | 1.5280 | 0.8758 | 0.8605 | 1.9844 |
| PUTRESCINE | NA | NA | NA | 1.7452 | NA | NA | NA | 0.5999 | NA | NA | NA | NA | NA | 0.6549 |
| PYRIDINE-2,3-DICARBOXYLATE | NA | 1.0225 | NA | 0.5202 | 0.7989 | 0.6646 | 0.3769 | 0.8452 | 2.4055 | 1.4602 | 1.1421 | 0.9434 | 0.7796 | 1.5902 |
| PYRIDINE CARBOXYLIC ACID | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| PYRIDOXAL | NA | 0.7693 | 1.3833 | 0.8541 | NA | 1.4503 | NA | NA | 1.3024 | 0.9107 | NA | NA | 0.5605 | NA |
| PYRIDOXAMINE | 0.7500 | NA | 0.9015 | 1.1056 | 1.1392 | 1.1118 | 0.8775 | 1.0738 | 0.5231 | 1.2791 | 0.7027 | 1.1189 | 1.2071 | NA |
| PYRIDOXINE | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.4971 | NA | NA | 1.9096 | 0.5933 |
| QUINATE | 0.6105 | 2.8784 | 0.3185 | 0.9860 | 2.3686 | NA | 1.8434 | 1.2460 | 0.5387 | 0.6455 | 0.2772 | NA | 0.5782 | NA |
| QUINOLIN-2-OL | NA | 2.8495 | 2.8032 | NA | NA | NA | NA | 0.6864 | 0.5531 | 0.8689 | 0.5909 | 0.0389 | NA | 0.5280 |
| RAFFINOSE | 0.0628 | 0.2975 | 0.2878 | 0.3812 | 0.1822 | 0.2290 | 0.2953 | 1.4234 | 0.7859 | 1.1180 | 2.2654 | 2.0026 | 1.1877 | 1.5552 |
| RETINAL | 1.0178 | 0.8330 | 0.7830 | 0.9865 | 1.0916 | 0.6354 | 0.9575 | 1.1866 | 0.9921 | 0.5210 | 0.8449 | 1.0704 | 1.5882 | 1.3417 |
| RETINOATE | 1.1833 | 0.5689 | 1.6203 | 1.0479 | 0.6395 | 0.7619 | 1.1282 | 1.5932 | 0.9388 | 0.9472 | 0.8850 | 1.1892 | 1.0914 | 0.7120 |
| RETINOL | 1.1129 | 0.7038 | 0.8835 | 0.8205 | 0.8694 | 0.6824 | 0.8859 | 1.1050 | 1.1108 | 0.8865 | 0.8151 | 1.0191 | 1.5321 | 1.2983 |
| RIBOFLAVIN | NA | NA | NA | 3.0816 | 0.4651 | 0.4431 | 0.6512 | 0.9377 | 1.1739 | 1.1481 | 0.7539 | 1.3788 | 0.6164 | NA |
| RIBOSE 5-PHOSPHATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.7894 | 1.2106 | NA | NA |
| RIBULOSE 1,5-BISPHOSPHATE | NA | NA | 0.8413 | NA | 0.9280 | 1.3112 | NA | NA | NA | NA | 0.7046 | NA | 1.0028 | 1.2120 |
| ROSMARINIC ACID | NA | NA | NA | 0.9377 | NA | 0.4178 | NA | 0.7500 | 1.8419 | NA | NA | NA | 0.9078 | 1.1448 |
| S-ADENOSYL-L-HOMOCYSTEINE | NA | NA | NA | NA | NA | 0.5750 | NA | NA | NA | NA | 1.4250 | NA | NA | NA |
| S-ADENOSYL METHIONINE | NA | 0.9497 | NA | 0.8718 | 1.0451 | 1.2148 | 0.8090 | 0.9774 | 1.3253 | 1.0353 | 0.7552 | 1.0300 | 0.9685 | 0.9655 |
| SALICYLIC ACID | NA | 0.2264 | NA | NA | NA | NA | 1.2053 | NA | NA | NA | NA | NA | 2.4008 | 0.1674 |
| SALSOLINOL | 0.6172 | 0.8590 | 0.4082 | 1.5005 | 0.6202 | 1.1248 | 1.4377 | NA | 0.9225 | 1.1877 | 0.5519 | 1.1852 | 1.2021 | 0.7465 |
| S-CARBOXYMETHYL-CYSTEINE | NA | NA | NA | NA | 1.4132 | NA | 0.3251 | NA | NA | 1.5703 | 0.7633 | 0.7315 | NA | 1.1965 |
| SERINE | NA | NA | NA | NA | NA | NA | 0.8601 | NA | 1.2690 | NA | 1.0109 | NA | NA | NA |
| SEROTONIN | NA | NA | NA | NA | 1.0535 | 1.6824 | 0.5571 | NA | NA | 0.5837 | 1.1233 | NA | NA | NA |
| S-HEXYL-GLUTATHIONE | NA | NA | 2.3947 | NA | NA | NA | NA | 1.1485 | 0.8019 | 1.0652 | 0.5396 | 0.7426 | 1.3172 | 0.9928 |
| SHIKIMATE | NA | NA | NA | NA | NA | NA | 0.7216 | NA | 0.9025 | 0.8440 | 1.6779 | NA | NA | 0.8540 |
| SN-GLYCERO-3-PHOSPHOCHOLINE | NA | NA | NA | NA | 1.4589 | 0.8611 | NA | 0.4109 | 1.0318 | NA | NA | 1.3762 | NA | NA |
| SPERMIDINE | 0.9036 | 0.8835 | 1.2226 | 1.2016 | 1.2819 | 1.0800 | 0.8142 | 0.8299 | 0.7670 | 1.1680 | 0.8715 | 1.2661 | 0.9886 | 0.8506 |
| SPERMINE | 0.8473 | 0.8664 | 1.0847 | NA | NA | NA | NA | NA | 1.0532 | 0.9893 | 1.0084 | NA | 1.2675 | NA |
| SPHINGANINE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.5291 | 0.4709 |
| SPHINGOMYELIN | NA | NA | NA | NA | NA | NA | NA | 1.2245 | NA | NA | 0.8582 | NA | 1.0592 | NA |
| SPHINGOMYELIN (CATION) | NA | NA | 1.0112 | NA | 1.1876 | 1.2191 | 1.4764 | 1.2278 | NA | 0.7425 | 1.0120 | 0.5696 | 0.9148 | 0.6218 |
| SQUALENE | NA | NA | NA | NA | NA | NA | NA | NA | 0.8350 | NA | 0.7371 | NA | 0.2756 | 1.7900 |
| STACHYOSE | 0.0848 | 0.3036 | 0.1689 | 0.5557 | 0.2870 | 0.3740 | 0.5690 | 1.2069 | 0.9019 | 1.7190 | 1.7823 | 1.8148 | 0.6557 | 1.5111 |
| SUBERIC ACID | NA | 1.9146 | NA | NA | 0.6920 | 0.9315 | 1.1596 | 0.4617 | 0.5541 | 2.1510 | 0.4782 | 0.4977 | NA | NA |
| TAURINE | NA | NA | NA | NA | 0.9315 | NA | NA | NA | NA | NA | 1.0685 | NA | NA | NA |
| TESTOSTERONE | NA | 0.9295 | 1.0635 | 0.9773 | 0.9477 | 0.9551 | 0.8896 | 1.0363 | 1.0362 | 1.0360 | 0.8696 | 1.0567 | 1.1009 | 1.0804 |
| THEOPHYLLINE | NA | NA | NA | NA | NA | 1.5252 | NA | 0.8479 | 0.1966 | NA | 0.5490 | 0.8819 | 1.0237 | 1.6673 |
| THIAMINE MONOPHOSPHATE | 0.9757 | 0.8117 | NA | 1.8525 | NA | NA | 0.7286 | NA | NA | 0.8725 | 1.1145 | 1.0124 | 0.4439 | 0.9947 |
| THIAMINE PYROPHOSPHATE | NA | NA | NA | NA | 1.0737 | NA | NA | 0.7585 | NA | 0.8604 | NA | NA | 1.1986 | 1.1087 |
| THIOPURINE S-METHYLETHER | NA | NA | 0.9068 | NA | NA | 0.3802 | NA | 0.5165 | 1.2825 | 1.2936 | 0.9316 | NA | 1.0236 | 0.9198 |
| THYMIDINE | 0.7728 | NA | NA | NA | NA | NA | NA | 1.0603 | NA | NA | NA | 1.4972 | 0.6697 | NA |
| THYMIDINE-5`-DIPHOSPHO-GLUCOSE | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| THYMINE | NA | NA | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| THYROXINE | 1.1253 | 1.1764 | 1.1172 | 1.2086 | 1.2067 | 1.0205 | 1.0400 | 0.9825 | 0.9574 | 0.8658 | 0.8276 | 0.8687 | 0.9027 | 1.0465 |
| TRANS-CYCLOHEXANE-1,2-DIOL | NA | 0.5756 | 1.2122 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| TRIGONELLINE | 0.8279 | 0.9424 | NA | 1.2025 | 0.9758 | 0.7767 | 0.4984 | 0.9473 | 0.8773 | 1.0727 | 0.9101 | 1.1002 | 0.8977 | 1.6809 |
| TRIMETHYLAMINE | 0.1279 | 0.5001 | 0.8793 | 0.8574 | 1.6763 | 2.3223 | 0.5020 | 1.0750 | 1.1358 | 0.7701 | 0.7934 | 1.2636 | 0.7678 | 1.0184 |
| TRYPTAMINE | 1.1410 | NA | NA | 0.6289 | 1.1973 | NA | 1.0328 | NA | NA | NA | NA | NA | NA | NA |
| TRYPTOPHAN | 0.8673 | 1.0455 | 1.0384 | 1.2985 | 1.0673 | 1.2266 | 1.0390 | 0.8650 | 0.8849 | 1.0035 | 0.8128 | 0.9504 | 0.9962 | 1.0096 |
| TRYPTOPHANAMIDE | 1.4837 | 0.9874 | NA | 1.3762 | 0.7737 | 0.8878 | 0.7599 | NA | 0.9702 | NA | NA | 0.6709 | NA | NA |
| TYROSINE | 0.8038 | 0.9073 | 0.8366 | 1.1964 | 0.8418 | 1.1201 | 0.8123 | 0.9470 | 0.9994 | 1.1272 | 0.8839 | 1.0261 | 1.0249 | 1.2296 |
| URATE | 0.9719 | 1.0054 | 1.0187 | 1.2180 | 1.0522 | 1.1229 | 0.9631 | 0.9792 | 1.0147 | 0.9948 | 0.8544 | 0.9112 | 0.9990 | 0.9956 |
| URDINE 5`-DIPHOSPHO-N-ACETYLGALACTOSAMINE | NA | NA | NA | NA | 1.6397 | NA | NA | NA | NA | NA | 0.6812 | NA | NA | 0.9978 |
| UREA | 0.2393 | 0.5829 | 0.7678 | 1.7058 | 1.2566 | 1.3462 | 0.6421 | 1.0479 | 1.1792 | 1.3268 | 0.4571 | 0.8348 | 1.0990 | 1.1239 |
| URIDINE | 0.8664 | 1.0146 | 1.1999 | 1.5957 | 0.9546 | 1.3391 | 0.8365 | 0.8503 | 0.9065 | 0.9480 | 0.9067 | 1.1605 | 0.8826 | 0.8740 |
| URIDINE 5`-DIPHOSPHATE | NA | NA | 1.3467 | NA | NA | NA | NA | 0.9588 | NA | NA | NA | NA | 0.6945 | NA |
| URIDINE-5-MONOPHOSPHATE | NA | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| UROCANATE | 0.8209 | 1.1764 | 0.7187 | 1.5788 | 0.5612 | 0.7678 | 1.0060 | 1.6934 | 0.7751 | 1.1300 | 0.9060 | 0.9160 | 0.8918 | 1.1059 |
| URSODIOL | 0.4670 | NA | 1.2869 | 1.1852 | 0.4266 | NA | 1.4004 | NA | NA | NA | NA | 1.1277 | NA | 1.1062 |
| VALINE | 0.8074 | 0.9893 | 0.9032 | 1.2503 | 0.9745 | 1.2297 | 0.8538 | 0.9705 | 0.9526 | 0.8605 | 0.8690 | 1.0556 | 0.9938 | 1.2186 |
| VITAMIN D2 | NA | 1.3082 | 1.0639 | NA | NA | 0.4882 | 0.7318 | 1.0755 | 0.9811 | 0.6498 | 0.7544 | 1.0466 | 0.4974 | 1.3819 |
| VITAMIN D3 | NA | NA | NA | NA | 0.3209 | 0.2577 | NA | 0.6466 | 0.3589 | 3.2914 | NA | NA | 1.8031 | 0.2591 |
| XANTHINE | 0.8148 | 0.9592 | 1.1972 | 1.8495 | 1.1751 | 0.9533 | 0.9626 | 1.2660 | 0.8910 | 0.9369 | 0.7513 | 0.8770 | 0.9693 | 0.7276 |
| XANTHOSINE | 0.7517 | NA | NA | NA | NA | NA | NA | NA | 0.4668 | NA | 1.3023 | 1.2188 | NA | 1.0418 |
| XANTHOSINE 5`-MONOPHOSPHATE | NA | NA | NA | 0.8686 | NA | NA | 1.0416 | NA | NA | NA | 1.1905 | NA | 0.8993 | NA |
Factors:
| F1 | Group:Control | Visit:1 |
| F2 | Group:Control | Visit:2 |
| F3 | Group:Control | Visit:3 |
| F4 | Group:Control | Visit:4 |
| F5 | Group:Control | Visit:5 |
| F6 | Group:Control | Visit:6 |
| F7 | Group:Control | Visit:7 |
| F8 | Group:NAFLD | Visit:1 |
| F9 | Group:NAFLD | Visit:2 |
| F10 | Group:NAFLD | Visit:3 |
| F11 | Group:NAFLD | Visit:4 |
| F12 | Group:NAFLD | Visit:5 |
| F13 | Group:NAFLD | Visit:6 |
| F14 | Group:NAFLD | Visit:7 |
