Metabolite_name RefMet_name NACH-00276 NACH-00277 NACH-00278 NACH-00279 NACH-00280 NACH-00281 NACH-00271 NACH-00272 NACH-00273 NACH-00274 NACH-00275 Factors - GROUP_ID:CON GROUP_ID:CON GROUP_ID:CON GROUP_ID:CON GROUP_ID:CON GROUP_ID:CON GROUP_ID:GOS GROUP_ID:GOS GROUP_ID:GOS GROUP_ID:GOS GROUP_ID:GOS 10-heptadecenoate (17:1n7) 10Z-Heptadecenoic acid 1.1899 0.9538 1 1.0506 0.9957 1.3487 0.9526 0.6688 1.6242 1.9104 0.5984 10-nonadecenoate (19:1n9) Nonadeca-10Z-enoic acid 1.0811 0.8384 1 0.9090 0.9298 1.2463 1.1126 0.6710 1.6451 1.5703 0.5523 10-undecenoate (11:1n1) 10-Hendecenoic acid 1.4613 0.8937 1.0750 0.5852 1 0.6517 2.4068 0.6735 1.5112 1.4624 0.7200 12_13-DiHOME 12,13-DiHOME 1.0637 1.1867 1 0.7206 0.9900 0.7713 1.3257 0.5118 1.2120 1.0882 0.4455 12-HEPE 12-HEPE 1.3346 1.0400 0.3657 0.9453 1.4010 0.7520 0.4390 1.0968 1 1.5631 0.3278 12-HETE 12-HETE 0.8951 1.0629 0.3582 1 1.5063 0.7802 1.4152 1.0997 0.8267 1.2224 0.3275 12-HHTrE 12S-HHTrE 0.6790 0.8808 0.4910 0.8426 1.6468 1.0788 1.9161 1.2142 1.1166 1 0.4504 (12 or 13)-methylmyristate (a15:0 or i15:0) Isopentadecylic acid 1.1164 0.8538 1 0.8799 0.8594 1.1646 1.4032 0.8098 1.5299 1.3499 0.7722 13-HODE + 9-HODE HODE 1.3737 1.0817 1.0561 0.9088 0.8754 0.8586 1 0.5747 1.0234 1.1681 0.3706 14-HDoHE/17-HDoHE 1.5625 0.8964 0.4103 1.0696 1.0296 0.9489 0.7763 1.0630 1 1.4695 0.3191 (14 or 15)-methylpalmitate (a17:0 or i17:0) Methylpalmitic acid 1.0341 0.8825 0.9531 1 0.9184 1.3137 1.0764 0.8042 1.4342 1.4871 0.6268 1_5-anhydroglucitol (1_5-AG) 1,5-Anhydrosorbitol 1 1.0109 1.0324 0.8817 0.7543 1.0391 0.9416 0.8774 0.9095 1.0665 1.0139 16-hydroxypalmitate Juniperic acid 1 1.1126 1.0265 0.5119 0.5783 0.6116 1.6623 0.6075 1.2474 1.1992 0.4303 (16 or 17)-methylstearate (a19:0 or i19:0) Methyloctadecanoic acid 0.9749 0.7538 1.0505 1 0.9100 1.2277 1.3275 0.8610 1.4733 1.8188 0.5996 18-methylnonadecanoate (i20:0) Isoarachidic acid 1 0.6408 1.0957 1.0648 1.0386 1.0133 1.1308 0.6243 0.6442 0.7309 0.6829 1-arachidonoyl-GPA (20:4) LPA 20:4/0:0 1.1136 0.8024 1 1.2513 0.9679 1.1404 1.0055 0.8957 0.6982 1.0457 0.7393 1-arachidonoyl-GPI (20:4)* LPI 20:4/0:0 1.2985 1 1.0514 1.1219 0.8636 0.8727 0.5702 0.8251 1.0613 1.2198 0.8118 1-arachidonylglycerol (20:4) MG 20:4 1.3504 1 1.2986 1.0815 0.5676 0.8572 1.9471 0.3904 0.4579 1.4274 0.7323 1-carboxyethylisoleucine 1-Carboxyethylisoleucine 1.1533 1.0972 0.7097 1 1.2762 0.7717 0.8587 1.6985 0.8728 0.5289 1.5614 1-carboxyethylleucine 1-Carboxyethylleucine 1 1.1746 0.5754 0.9699 1.1640 0.5853 1.1893 1.6387 0.9574 0.6080 1.3466 1-carboxyethylphenylalanine 1-Carboxyethylphenylalanine 1 1.1753 0.5399 0.8827 1.1298 0.4991 2.0550 1.5676 0.9292 0.6132 1.2113 1-carboxyethyltyrosine 1-Carboxyethyltyrosine 0.9891 1 0.6031 0.6754 0.9853 1.1619 4.6688 2.0896 1.1179 0.5773 2.2199 1-carboxyethylvaline 1-Carboxyethylvaline 1.0823 1.1261 0.5525 0.9087 1 0.8146 1.1782 1.7611 0.9822 0.7706 1.2792 1-dihomo-linolenylglycerol (20:3) MG 20:3/0:0/0:0 1 0.5608 1.8011 1.7049 1.0930 1.9680 0.4555 0.7900 0.5474 0.9367 1.1977 1-dihomo-linoleoylglycerol (20:2) MG 20:2 1 0.7614 1.1911 1.4695 0.6750 1.3862 0.6168 0.4689 1.1279 1.8209 0.8080 1-docosahexaenoylglycerol (22:6) MG 22:6 1.3739 0.8153 1.7238 1.5647 0.6924 1 1.7782 0.3687 0.8254 1.8135 0.8581 1-heptadecenoylglycerol (17:1)* MG 17:1/0:0/0:0 1 0.4844 1.2670 1.9435 1.1529 2.2615 0.2118 0.9651 0.5551 1.6104 0.8127 1H-indole-7-acetic acid 1H-Indole-7-acetic acid 1.0775 1 0.9127 1.0882 1.0412 0.8844 0.9014 0.8108 0.6706 1.2246 1.2331 1-linolenoylglycerol (18:3) MG 18:3 1 0.6983 1.2280 1.4048 0.7625 1.2392 0.4553 0.8756 1.1469 1.7010 0.9727 1-linoleoylglycerol (18:2) MG 18:2 1.3246 0.8500 1.4814 1.8168 0.9370 1.6551 0.6704 0.6583 0.7039 2.1318 1 1-linoleoyl-GPA (18:2)* LPA 18:2/0:0 1 0.6770 1.0690 1.0927 0.8538 1.1577 1.4042 0.7453 0.7290 1.0458 0.9432 1-linoleoyl-GPG (18:2)* LPG 18:2/0:0 1.1018 0.6745 0.7181 1.2322 0.8284 1.1208 1.1511 0.6410 1 1.0795 0.6504 1-linoleoyl-GPI (18:2)* LPI 18:2/0:0 1.2723 0.9466 1.1611 0.9627 0.7907 0.8051 1.0676 1 1.0798 1.2057 0.9270 1-linoleoyl-GPS (18:2)* LPS 18:2 1.2693 0.6015 0.9373 1.3975 1.2954 2.4578 0.5888 0.8408 2.1228 1 0.3841 1-myristoylglycerol (14:0) MG 16:3 0.9997 0.9809 1.3021 1.7857 0.8698 1.4756 0.8698 0.9360 1.0003 2.0382 0.9674 1-oleoylglycerol (18:1) MG 18:1/0:0/0:0 1.0603 0.5556 1 2.1239 0.9983 2.1313 0.2201 0.7399 1.3572 1.7733 0.6322 1-oleoyl-GPG (18:1)* LPG 18:1/0:0 1.1274 0.6435 0.5809 1.4409 1 1.6562 1.2243 0.7548 0.8019 1.0190 0.7414 1-oleoyl-GPI (18:1) LPI 18:1/0:0 1.1842 0.8453 0.8987 1.0333 1.0414 1 1.0047 1.0130 0.8893 0.8998 0.7543 1-oleoyl-GPS (18:1) LPS 18:1/0:0 1 0.7969 0.7114 1.3200 1.6664 3.5182 0.8470 1.4819 1.4591 0.4509 0.7776 1-palmitoleoylglycerol (16:1)* MG 16:1 0.8529 0.6989 1.1524 1.9006 1 1.6550 0.1731 0.9962 1.2847 4.0577 0.7474 1-palmitoylglycerol (16:0) MG 16:0/0:0/0:0 0.9040 0.6330 1.7971 1.2637 0.8061 1.9656 0.6847 0.7552 1.1118 1.1911 1 1-palmitoyl-GPA (16:0) LPA 16:0/0:0 0.8339 0.8516 1.1947 1.2296 1.1063 1.4116 0.7699 0.9355 0.6396 1 1.2986 1-palmitoyl-GPG (16:0)* LPG 16:0/0:0 1.1823 0.6460 0.7069 1.3123 0.8788 1.6409 1.5498 0.7264 1 1.0090 0.7747 1-palmitoyl-GPI (16:0) LPI 16:0/0:0 1.3614 1 1.4516 1.0303 1.1093 0.8415 0.9360 0.9068 0.9450 0.9975 1.0515 1-palmitoyl-GPS (16:0)* LPS 16:0/0:0 1.0736 1.0247 0.4955 1.5363 1.3456 1 0.6841 1.3461 0.8622 0.6270 0.6786 1-stearoyl-GPG (18:0) LPG 18:0/0:0 1.3966 1.0514 0.7963 1.1601 1.0472 0.7396 1.9118 0.9015 0.7635 1 0.9817 1-stearoyl-GPI (18:0) LPI 18:0/0:0 1.2970 1.1409 1.1368 1.0286 0.9141 0.7877 0.9377 0.7927 0.9096 1.0855 1 2_3-dihydroxy-2-methylbutyrate 2,3-Dihydroxy-2-methylbutanoic acid 0.7579 1 0.8790 0.8961 0.8076 1.0982 0.9686 1.6882 1.4265 1.1040 1.4065 2_3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* 2,3-Dihydroxy-5-methylthio-4-pentenoic acid 1.2423 1.0760 0.9541 0.8256 0.9238 1.2386 0.8629 1.0945 1 0.8677 1.0500 2-amino-p-cresol sulfate 0.5092 1.6001 0.5813 1.0452 0.9548 1.4807 0.4156 0.6616 0.4156 1.3597 1.0976 2-aminophenol sulfate 2-Aminophenyl sulfate 1.0700 0.7934 1 0.6703 1.1175 1.8771 1.1368 0.9131 0.8565 0.6105 1.0514 2-arachidonoylglycerol (20:4) MG 20:4 1 0.8838 1.6058 1.5654 0.6888 1.1625 1.6416 0.4964 0.7646 1.8847 0.6572 2^-deoxyuridine Deoxyuridine 0.9262 1 1.0511 0.7864 0.8135 1.0278 2.0401 0.7328 0.7423 1.1036 1.2326 2-hydroxy-3-methylvalerate 2-Hydroxy-3-methyl-pentanoic acid 1.3043 1.2359 0.9069 1.0384 1.0373 1 0.7191 1.0329 0.8927 0.9671 0.8394 2-hydroxyarachidate* 2-Hydroxyeicosanoic acid 1.0258 1.0666 1.2456 0.7013 0.6807 0.6775 1.2581 0.4977 1.1261 1 0.8545 2-hydroxydecanoate 2-Hydroxycapric acid 1.2938 1.1000 1.1536 0.8273 1 0.6606 1.5167 0.5656 0.9588 1.1454 0.6343 2-hydroxylaurate 2-Hydroxylauric acid 1.3642 1.4611 1.0606 0.7790 0.9717 0.9398 1.2107 0.5849 1 1.0920 0.5604 2-hydroxyoctanoate 2-Hydroxyoctanoic acid 1.1527 1.0237 1.0201 0.8245 1.0940 0.7554 1.3171 0.6515 0.9667 1 0.8823 2-hydroxyoleate 2-Hydroxyoleic acid 1.1874 1.1821 1 1.0033 0.6386 0.9366 1.3057 0.5524 1.0485 0.9695 0.7258 2-hydroxypalmitate 2-Hydroxypalmitic acid 1.3549 1.5003 1 0.9062 0.9604 0.8723 1.5897 0.7606 1.1709 1.6338 0.7043 2-hydroxystearate 2-Hydroxystearic acid 1.3380 1.3370 0.8954 1.0988 1 0.9984 1.2448 0.8772 0.9519 1.3603 0.6810 2-linoleoylglycerol (18:2) MG 18:2 1.2130 0.8268 1.2875 1.7082 0.8314 1.6707 0.6584 0.7657 1 2.9649 0.9031 2-methylbutyrylglycine 2-Methylbutyrylglycine 1.9331 1.2867 0.9571 0.9904 1.0471 1.0621 0.4689 1 0.7081 0.6051 1.2390 2-methylcitrate/homocitrate Homocitric acid 0.9365 1.1468 0.7270 0.9250 1.0014 1.0432 0.4256 1.1240 0.9214 1.1819 1 2-naphthol sulfate 2-Naphthyl sulfate 1.4847 1.4780 1.3453 0.8473 1.0873 1.0109 0.5735 1 0.8968 0.8649 0.9039 2-oleoylglycerol (18:1) MG 0:0/18:1(9Z)/0:0 0.9938 0.4951 1 2.1933 1.1097 3.1986 0.1711 0.8422 1.2801 1.1970 0.8153 2^-O-methyluridine 2'-O-Methyluridine 1.2987 1.6708 0.9589 0.9056 1.1982 0.8029 1.3384 1.1537 1 0.7699 0.8761 (2 or 3)-decenoate (10:1n7 or n8) Decenoic acid 1.0183 0.9082 1 0.7474 0.8082 1.0591 1.3999 0.9562 1.1618 2.7019 0.7576 2-oxindole-3-acetate 2-Oxindole-3-acetate 0.5848 0.6438 1.1296 0.5848 1.2569 1.8221 0.9877 1.0533 0.8907 0.5848 1 2-palmitoleoylglycerol (16:1)* MG 16:1 0.8123 0.4311 1.0144 1.6947 0.9100 1.2143 0.4311 0.9856 1.1693 2.5635 0.8031 2-palmitoleoyl-GPC (16:1)* LPC 0:0/16:1 1.0504 1 0.6244 1.0015 1.1727 0.8270 0.5829 1.1853 0.8029 1.3099 0.7631 2-palmitoyl-GPC (16:0)* LPC 0:0/16:0 1.1082 1 0.9107 1.0843 0.9936 0.8107 0.5878 1.0402 0.9917 1.0320 1.1143 2-stearoyl-GPE (18:0)* LPE 0:0/18:0 1.2570 0.8912 1.2850 1.4497 1.2612 0.8660 0.8440 1 0.7400 0.9849 1.3587 3-(4-hydroxyphenyl)lactate Hydroxyphenyllactic acid 1.2295 1.1369 0.7224 0.9758 1 0.7809 1.5286 1.2296 0.8352 0.9580 1.2844 3_4-methylene heptanoylglycine 1.5508 1.1091 1.0290 0.6066 1 0.7863 0.6591 0.6667 1.0166 1.1917 0.8105 3_5-dichloro-2_6-dihydroxybenzoic acid 3,5-Dichloro-2,6-dihydroxybenzoic acid 0.9181 1.2044 1.0091 0.8730 1 0.6740 0.9581 1.0640 0.8213 1.1745 1.1904 3beta-hydroxy-5-cholestenoate Cholestenoic acid 0.6238 1.1466 0.8671 0.6238 1.0535 0.6238 3.7296 0.8131 0.9465 0.6238 1.1914 3-bromo-5-chloro-2_6-dihydroxybenzoic acid* 3-Bromo-5-chloro-2,6-dihydroxybenzoic acid 1.0957 1.1526 1.0612 0.8547 0.8665 0.5287 1.3282 1 0.8342 0.8783 1.0886 3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)** 3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid 1.0034 1.0883 0.9345 0.6787 0.9966 0.6787 0.6787 0.6787 1.1542 0.6787 0.6787 3-ethylphenylsulfate 0.9880 0.5611 1 1.0392 1.1794 1.6860 0.7720 1.2138 0.9269 0.9265 1.2934 3-formylindole 1H-Indole-3-carboxaldehyde 0.9973 0.7879 0.8764 1 0.9297 1.2663 1.6336 0.9552 1.0367 1.0871 1.1512 3-hydroxy-2-ethylpropionate 2-Ethyl-hydracrylic acid 1.4203 1.1167 0.8662 1.2783 1.1369 0.9681 0.3296 1 0.8963 1.1098 0.9328 3-hydroxydecanoate 3-Hydroxydecanoic acid 1.1626 1.0591 1 0.5612 0.8267 0.5172 1.4264 0.8560 1.2414 1.0851 0.5086 3-hydroxyhexanoate 3S-Hydroxyhexanoic acid 1.2092 1.0737 1.4644 0.5565 1 0.5771 1.1764 0.9234 0.9226 0.8523 1.3070 3-hydroxylaurate 3-Hydroxydodecanoic acid 1.4451 1.1128 1.1580 0.4303 0.8836 0.4975 1.5283 0.7260 1.4291 1 0.3180 3-hydroxymyristate 3-Hydroxytetradecanoic acid 1.3821 1.0844 1.1220 0.5264 0.8965 0.6056 1.3234 0.6405 1.1195 1 0.3558 3-hydroxyoctanoate 3-Hydroxyoctanoic acid 1.0934 1.0825 1 0.6117 0.8572 0.6791 1.2110 0.8592 1.0544 1.0498 0.6282 3-hydroxyoleate* 1.2911 1.1368 1 0.6429 0.7530 0.7377 1.7511 0.6768 1.2752 1.5855 0.3535 3-hydroxypalmitate 3-Hydroxyhexadecanoic acid 1.1244 0.8787 1.0957 0.7412 0.6449 1 2.1963 0.9921 1.1598 1.3109 0.6670 3-hydroxystearate 3-Hydroxystearic acid 1.0338 1.0403 1 0.5066 0.5283 0.4440 1.5978 0.6512 1.1794 1.0834 0.3559 3-indoleglyoxylic acid 1.2208 0.8207 0.7556 1 0.8117 0.9731 1.3679 1.0057 0.7790 1.0166 1.7326 3-indoxyl sulfate Indoxyl sulfate 1.3056 1.1572 0.7202 1 1.2219 1.3396 0.7300 0.9481 1.2302 0.8807 0.4738 3-methyl-2-oxobutyrate Ketoisovaleric acid 0.9993 1 1.3910 0.7919 0.7847 0.9100 1.9351 0.9895 1.6775 1.3422 1.0917 3-methyl-2-oxovalerate 3-Methyl-2-oxovaleric acid 1 1.0486 1.3660 0.9006 0.7911 0.8251 1.7149 0.9519 1.6973 0.8778 1.1685 3-phenylpropionate (hydrocinnamate) Hydrocinnamic acid 0.6952 0.7039 0.9775 0.9290 1.3265 1.1236 4.1562 1 0.6242 1.3407 1.7850 4-acetylphenol sulfate 4-Acetylphenyl sulfate 0.4461 0.4461 1 0.4461 1.0136 0.4461 0.4461 0.9116 0.4461 0.4461 1.1034 4-allylcatechol sulfate 0.4007 0.7731 0.7317 1 2.6866 0.6315 0.8487 3.4439 2.2799 4.1898 4.1065 4-allylphenol sulfate 4-Allylphenol sulfate 0.7038 0.8008 0.7997 1.0214 0.9786 0.3690 0.3690 1.3651 1.2198 1.7936 1.1234 4-ethylcatechol sulfate 0.9410 0.6839 0.8725 0.8760 1 1.3662 0.9043 1.2765 1.1148 1.1864 1.5187 4-ethylphenylsulfate 4-Ethylphenol 0.9252 0.8545 0.8020 0.7829 1 1.2915 0.7689 1.3212 1.1628 1.3630 1.6671 4-hydroxycinnamate cis-p-Coumaric acid 0.5829 0.8604 0.9210 1 1.3229 1.5315 0.9128 1.7964 2.7306 0.7321 1.8700 4-hydroxycinnamate sulfate 4-Hydroxycinnamate sulfate 0.3108 0.3108 0.9200 0.3108 0.8602 1.8416 0.3228 1.1714 1.0800 0.3108 1.1769 4-hydroxyhippurate 4-Hydroxyhippuric acid 0.9904 1 0.9087 0.9024 1.1589 1.4977 0.1457 1.5064 0.8562 1.0561 1.3956 4-hydroxyphenylacetate 4-Hydroxyphenyl acetate 0.7966 0.7099 0.9740 0.6406 0.6406 1.7935 1.5711 1.2808 0.9768 1.0232 1.3470 4-hydroxyphenylpyruvate 4-Hydroxyphenylpyruvic acid 1.0484 1.0478 0.8585 0.9316 0.7898 1 5.5370 1.7698 0.9194 0.9475 2.5722 4-methyl-2-oxopentanoate Ketoleucine 1 0.9913 1.6958 0.9460 0.8651 1.2416 1.8969 0.9834 1.9866 0.8240 1.4478 4-methylbenzenesulfonate Toluene-4-sulfonic acid 1.0565 0.9862 0.9803 1.3036 1 1.5786 0.5539 0.8404 0.9289 1.2472 1.1009 4-methylcatechol sulfate 0.9604 0.8557 1.2334 0.9854 1.8234 1.4881 1 1.1581 0.7149 1.1861 0.8364 4-methylhexanoylglycine 1.3686 1.2712 0.7981 0.8896 1.1895 0.7768 0.2522 1.0475 0.6987 1 1.2128 4-vinylguaiacol sulfate 4-Vinylguaiacol sulfate 0.9003 1.3677 1.0997 0.0893 0.0893 0.0893 0.0893 0.0893 0.0893 0.0893 0.0893 4-vinylphenol sulfate 4-Hydroxystyrene 2.2130 2.4199 2.0221 0.5397 0.6417 0.7547 0.4590 1 0.8457 1.0313 1.3203 5_6-dihydrouracil Dihydrouracil 1.1652 1.8797 0.9065 1.0993 1.2521 0.4750 0.4750 1.0935 0.5328 0.7200 0.8015 5_6-dihydrouridine 5,6-Dihydrouridine 1.2050 1.3510 1 0.9843 1.2068 1.2702 0.6866 0.8313 0.9984 1.1020 0.9589 5-dodecenoate (12:1n7) 5-Dodecenoic acid 1.1370 1.2284 1 0.8880 0.8225 0.4978 1.3405 0.7616 1.0352 1.2254 0.5498 5-hydroxyhexanoate 5-Hydroxycaproic acid 1.1002 0.8959 0.8835 0.7912 1 1.0908 0.9287 1.0219 0.8840 1.0637 1.4256 5-hydroxyindoleacetate 5-Hydroxyindoleacetic acid 1.4767 1.3838 0.9778 0.8802 1 0.8196 1.6495 1.1802 0.9731 1.2031 0.9360 5-methyluridine (ribothymidine) Ribothymidine 1.3102 1.1786 1 0.9483 1.1486 0.6674 1.1194 0.9304 0.7541 0.9906 1.1730 5-oxoproline Pyroglutamic acid 0.8953 0.8665 1.3758 1 0.9318 2.4120 1.6869 0.8766 1.0572 0.9190 1.0754 6-beta-hydroxylithocholate Murideoxycholic acid 1.4543 0.2879 0.9290 1 1.5098 1.7983 22.2684 0.8078 2.0817 0.3964 0.3025 6-hydroxyindole sulfate 6-Hydroxyindole sulfate 1.5788 0.9554 0.8779 1.2679 1.3473 1.4307 3.4627 0.9815 1 0.5670 0.9983 6-oxopiperidine-2-carboxylate 6-oxopiperidine-2-carboxylic acid 1.4858 0.9721 0.8778 0.9042 1 1.0534 0.8780 1.0735 1.3454 0.8036 1.0099 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 7alpha-Hydroxy-3-oxo-4-cholestenoic acid 0.9949 1.1069 1.0997 0.9511 1.0135 0.8788 7.0653 0.9628 1.0173 0.9849 1 7-ketodeoxycholate 7-Ketodeoxycholic acid 2.8392 0.4800 0.9279 1 1.7293 2.7348 35.8581 1.7023 0.9722 0.5978 0.8087 9_10-DiHOME 9,10-DiHOME 1.2151 1 0.9726 0.9280 0.9173 1.1023 1.7098 0.5565 1.4078 1.0858 0.5710 aconitate [cis or trans] cis-Aconitic acid 1.0109 0.9428 0.9418 1 0.8892 1.2226 0.8526 1.0212 1.2347 0.9957 1.0396 adenosine 5^-diphosphoribose (ADP-ribose) ADP-ribose 1.0136 1.0508 0.4100 1.1151 0.9137 2.7069 0.2978 0.9864 1.0388 0.2978 0.3091 adrenate (22:4n6) Adrenic acid 2.0839 1 0.9564 1.0948 0.8788 1.0725 0.9532 0.6080 1.1644 1.1070 0.6143 alpha-CEHC alpha-CEHC 0.6142 1.3069 0.6853 0.3728 0.5795 0.3728 1.9090 1.2613 0.9333 1.0667 1.1467 alpha-CEHC glucuronide* 0.8909 0.8909 1 0.8909 0.8909 0.8909 5.2580 0.8909 0.8909 0.9210 1.0801 alpha-CEHC glycine* 0.4310 1.5812 0.7238 0.4310 0.4310 0.4310 0.4310 1.2762 0.4310 0.4310 0.4310 alpha-hydroxyisocaproate 2-Hydroxyisocaproic acid 1.1115 1.0003 0.8595 0.9304 1 1.1320 1.1238 1.1973 0.9400 0.8782 0.9678 alpha-hydroxyisovalerate 2-Hydroxy-3-methylbutyric acid 1.2563 1.2419 1.0633 0.9210 1.0395 1.0727 0.9869 1 0.8337 0.9548 0.9044 alpha-muricholate alpha-Muricholic acid 1.8070 0.1440 0.6957 0.5592 1 2.1366 16.6540 1.5553 1.0447 0.3607 0.6003 arachidate (20:0) Arachidic acid 0.9873 0.6999 1.1601 1.1501 1 1.4775 0.9022 0.8366 0.9444 1.0359 1.1414 arachidonate (20:4n6) Arachidonic acid 1.3303 1.0536 0.8257 1.0034 0.9785 1 0.9927 0.7904 1.3639 1.1901 0.6939 azelate (C9-DC) Azelaic acid 1.2062 1.0314 1.1840 0.9454 1.3448 1.7724 0.4728 0.7168 0.4850 0.7285 1 benzoate Benzoic acid 0.9183 0.9639 1.5429 1.2229 0.9348 2.4139 0.8332 0.9353 1.4502 1.5243 1 beta-hydroxyisovalerate 3-Hydroxyisovaleric acid 0.6925 0.4099 1.0051 0.4452 1.0932 0.8962 0.9735 1 1.0491 1.0138 1.2127 beta-muricholate beta-Muricholic acid 2.3235 0.4479 0.8422 0.6613 1 1.7223 46.7989 1.3230 1.0392 0.9560 0.7200 biopterin Biopterin 1.1881 1.0679 0.9435 0.9010 1 1.0375 0.6048 1.0014 0.9622 1.0724 0.8844 branched chain 14:0 dicarboxylic acid** 1.4503 1.1259 0.9917 1 1.9756 0.4366 0.3449 0.8788 0.4164 1.2626 3.2805 branched-chain_ straight-chain_ or cyclopropyl 10:1 fatty acid (1)* Decenoic acid 1.1026 0.7592 0.9667 1.0333 1.3273 0.7592 0.8983 0.7592 0.7592 0.7592 0.7592 branched-chain_ straight-chain_ or cyclopropyl 10:1 fatty acid (2)* 1.7089 0.9385 1.2866 0.8810 1.5611 0.7359 0.7359 0.8935 0.9748 1.0252 1.0769 branched-chain_ straight-chain_ or cyclopropyl 10:1 fatty acid (3)* 0.6092 0.9923 1.2023 0.6092 0.9891 0.6092 0.6092 1.0352 0.6092 1.0077 0.6092 branched-chain_ straight-chain_ or cyclopropyl 12:1 fatty acid* 1.2914 0.9888 1.2034 0.5664 1 0.5761 1.8035 0.6755 1.4869 1.1274 0.3550 butenoylglycine Butenoylglycine 1.5727 1.4062 0.7869 1 1.0465 0.5904 0.5323 1.3124 0.7645 0.8998 1.1233 butyrate (4:0) Butyric acid 1 1.2055 0.9449 0.8509 0.8669 0.8229 3.4851 1.0248 1.5729 1.1252 0.8257 butyrylglycine N-Butyrylglycine 1.4244 1.1637 0.4749 1.2475 1 0.4083 0.1615 1.3866 0.5689 1.0247 0.9690 caprate (10:0) Capric acid 1.0807 1 0.9494 0.9754 0.8259 1.0291 1.1206 0.7860 1.0173 1.3394 0.6036 caproate (6:0) Caproic acid 1.0498 2.0663 1 0.9654 0.8222 1.0223 0.8996 0.9608 1.0402 1.5799 0.8232 caprylate (8:0) Caprylic acid 1.0326 1.5734 0.9880 1 0.9916 1.0816 1.1312 0.9195 0.9650 1.2137 0.7077 catechol sulfate Catechol sulfate 0.7494 1.0292 0.9807 0.6497 2.3757 0.9185 0.7020 1.5579 1 2.0875 2.2445 C-glycosyltryptophan C-Glycosyltryptophan 0.7982 1.1649 1.0340 0.8440 1.1582 1.4069 0.6623 0.7094 1 0.8132 1.0419 chenodeoxycholate Chenodeoxycholic acid 0.6837 0.9452 0.6264 1.4374 0.6033 1.7548 10.5050 0.3764 1.6536 1.4227 1 cholate Cholic acid 2.3988 0.1061 0.6854 1 1.0694 0.6041 17.8445 1.0094 0.4267 0.4651 1.4388 cinnamoylglycine Cinnamoylglycine 0.6819 0.7722 0.9169 1 1.2625 1.7115 0.5166 1.2264 0.5911 1.0448 1.4057 cis-4-decenoate (10:1n6)* 4Z-Decenoic acid 1.6859 1 1.3929 0.5388 0.7841 0.5467 2.9771 0.6574 1.9306 1.5139 0.6426 citrate Citric acid 0.9612 0.7904 0.8390 1.2160 0.8764 1.6634 0.8618 1.0257 1.0111 1.3323 1 corticosterone Corticosterone 2.2953 0.8762 0.2597 3.2214 1.7097 0.3818 1 0.3650 1.0987 0.6271 1.2537 deoxycholate Deoxycholic acid 1.0855 0.3874 0.7293 0.6397 1.0765 1.4227 14.3933 0.6495 1.0248 1 0.4955 dihomo-linoleate (20:2n6) 11Z,14Z-Eicosadienoic acid 1.1353 0.7920 1 1.0682 0.9047 1.1885 0.7571 0.5827 1.2525 1.3116 0.5280 dihomo-linolenate (20:3n3 or n6) Dihomo-gamma-linolenic acid 1.3193 0.9491 0.9868 1.0195 1 1.1668 0.6531 0.6849 1.3669 1.4300 0.6781 docosadienoate (22:2n6) 13Z,16Z-Docosadienoic acid 1.1880 1 1.2363 1.2402 0.7737 1.0751 0.9018 0.4325 0.6845 1.5814 0.7881 docosadioate (C22-DC) Docosanedioic acid 1.5868 1.4311 1.0272 1.0219 0.7940 0.5592 1.1056 0.6174 1 0.9502 0.9285 docosahexaenoate (DHA; 22:6n3) DHA 1.5390 1.2571 1 0.9978 1.1024 0.8202 0.8389 0.7047 1.3766 1.4002 0.7032 docosapentaenoate (n3 DPA; 22:5n3) DPA 1.3921 1.1259 1.0027 0.9012 1 0.9640 0.5290 0.6649 1.3427 1.4634 0.8000 docosapentaenoate (n6 DPA; 22:5n6) Docosapentaenoic acid (22n-6) 1.1795 1.0785 1 1.1494 0.9391 0.9140 0.9132 0.5700 1.1955 1.2909 0.4967 docosatrienoate (22:3n3) 13,16,19-Docosatrienoic acid 0.8734 0.8275 1.5272 1.1338 1.0311 1.3426 0.7031 0.5203 0.8119 1.1109 1 docosatrienoate (22:3n6)* 10Z,13Z,16Z-Docosatrienoic acid 1.3170 0.5771 0.5748 2.3511 1 1.7326 0.3451 0.5360 1.4593 1.6017 0.2235 dodecadienoate (12:2)* Dodecadienoic acid 1.3071 1 1.1796 0.5679 0.8005 0.5185 1.6803 0.5403 1.4972 1.1724 0.3908 dodecanedioate (C12-DC) Dodecanedioic acid 1.0473 1.2941 1 0.9037 0.5248 0.7492 2.5356 0.7177 1.0327 1.0364 0.6943 eicosanedioate (C20-DC) Eicosanedioic acid 1.4540 1.4359 1.1556 1 0.9178 0.5191 1.2947 0.5534 0.7874 0.8275 1.0006 eicosapentaenoate (EPA; 20:5n3) EPA 1.3550 1 0.9248 0.8661 1.0188 1.0930 0.5188 0.7747 1.5343 1.5455 0.7602 eicosenedioate (C20:1-DC)* 1.5428 0.9074 1.2045 0.6583 1.3736 0.5914 12.5867 1.5515 1 0.9798 0.8904 eicosenoate (20:1) cis-Gondoic acid 1.1162 0.7911 0.8923 1.1834 0.9857 1.2466 1 0.5461 1.2062 1.7001 0.5769 equol sulfate 1.0693 0.8098 1.0651 1.1070 1 1.1479 0.9162 0.8436 0.2486 0.5400 1.1507 erucate (22:1n9) cis-Erucic acid 1.0040 0.7605 1.1560 1.4954 1 1.4682 0.7063 0.5771 0.9203 0.8833 1.0072 ethyl glucuronide Ethyl glucuronide 0.9955 1.1609 0.9324 1.0716 1.6321 2.5440 0.7546 1 0.4676 1.3156 0.8716 flavin adenine dinucleotide (FAD) FAD 0.9941 1.0623 0.9888 1.0311 0.8781 1.1344 1.2616 0.7856 0.9077 1 1.2929 glycerol Glycerol 1.0196 0.8231 1.0176 0.9260 0.8893 1.2591 1.6700 1 1.1954 0.8068 0.8914 glycine conjugate of C10H14O2 (1)* 1.3649 1.3582 0.8909 0.8567 1.0825 0.5385 0.2840 1 0.7328 1.1371 1.2971 glycine conjugate of C6H10O2 (2)* 1 1.0945 0.9654 0.9886 1.3511 1.2764 0.3093 1.1297 0.7473 0.9540 1.3910 glycine conjugate of C6H10O2 (3)* 1.2711 1.0930 1.0001 1 0.8063 1.5309 0.8509 0.8212 0.7908 1.1779 0.5926 guaiacol sulfate Guaiacol sulfate 1.1252 1.2982 1.3838 0.5908 0.6634 1 0.5908 0.5908 0.5908 0.5908 0.7231 guanosine Guanosine 0.6934 1.0948 0.9639 1.0361 0.7630 1.1865 0.4879 1.0423 0.4879 1.3116 0.5286 heneicosapentaenoate (21:5n3) 6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acid 1.1098 1.0616 0.8877 0.9384 0.7842 1.1427 0.6216 0.6216 1.3987 1.9967 0.7304 heptanoate (7:0) Heptylic acid 1.0416 1.4477 1.6180 1 0.9032 1.0652 0.9556 0.7829 0.7789 1.2218 0.8258 heptanoyl glycine N-Heptanoylglycine 1.5260 1.7337 0.6094 1.0783 1.4510 0.2505 0.2865 1.0934 0.5017 0.6022 1 hexadecadienoate (16:2n6) 7Z,10Z-Hexadecadienoic acid 1.2743 0.9031 1 0.8004 0.8015 1.0016 2.1189 0.5657 1.5054 1.4813 0.6624 hexadecanedioate (C16-DC) Hexadecanedioic acid 1.6199 1.3000 1 0.9243 1.1153 0.5891 3.1167 0.6783 1.0169 0.9243 0.9543 hexadecatrienoate (16:3n3) 7,10,13-Hexadecatrienoic acid 1.3923 0.8734 1.2799 0.8760 0.8542 1 1.9043 0.6930 1.5885 1.3490 0.7990 hexadecenedioate (C16:1-DC)* 1.5382 1.2580 1.0961 0.6278 1 0.3739 4.2610 0.7549 1.1943 0.9201 0.4355 hexanoylglycine Hexanoylglycine 1.2966 1.2066 0.6154 1.1951 1 0.5003 0.2469 1.3610 0.5480 1.0932 0.8119 hippurate Hippuric acid 0.7189 0.7091 1 0.9085 1.1161 2.1576 0.4631 1.2590 0.8808 1.0358 1.7779 histidine Histidine 1.1413 1 0.9329 0.8841 1.0900 1.5269 1.6013 0.8787 0.9080 0.9989 1.3688 homovanillate sulfate Homovanillic acid 1.2489 1.4075 1.0307 0.3056 1.4619 0.9693 0.3056 1.3301 0.7856 0.4462 0.7200 hypoxanthine Hypoxanthine 0.8980 1.1020 0.7279 1.1358 1.1886 2.0880 0.2464 1.2252 0.7897 0.7497 0.2464 indole-3-carboxylate Indole-3-carboxylic acid 1 1.2405 1.1117 0.9264 1.0197 1.1538 1.6796 0.7807 0.6363 0.8766 0.9056 indoleacetylglycine N-Indoleacetylglycine 1.0421 0.6959 0.7703 1.2986 1.3282 1.5478 0.3920 1.0758 0.7174 1 0.7989 indoleacrylate Indoleacrylic acid 1.3677 0.9418 1.2084 1 1.0664 1.1358 2.0312 0.4430 0.8596 0.3844 0.5981 indoxyl glucuronide Inodxyl glucuronide 1.5091 0.6196 0.7012 1.1756 0.9594 1.6635 4.0721 0.4344 1 0.4344 0.4344 inosine Inosine 1 1.2673 0.7644 1.2041 1.1485 0.9571 0.0340 1.1619 0.5774 1.0880 0.3973 isocaproate (i6:0) Isocaproic acid 0.8819 0.8819 0.8819 0.8819 0.8819 0.8819 1.7985 1 0.8819 0.8819 0.8819 isocaproylglycine Isocaproylglycine 1.8274 1.6328 0.7855 1 1.3531 0.4801 0.2125 1.7006 0.6655 0.9480 1.5814 isoleucylglycine Ile-Gly 1.7557 2.2543 0.5595 1.2696 0.9759 0.4225 0.4225 1.7801 0.4225 1 0.6504 isovalerate (i5:0) Isovaleric acid 0.9724 1.0679 0.6922 1.3367 0.8381 1 2.3682 0.8668 1.0239 0.8370 1.5207 isovalerylglycine Isovalerylglycine 1.3089 1.0607 0.7769 1.2791 0.8308 1 0.1553 1.1936 0.7211 0.7070 1.1649 kynurenate Kynurenic acid 1.1570 0.8897 0.8450 0.9806 1.0127 1.0527 0.8325 1.6585 0.7954 1 1.9410 laurate (12:0) Lauric acid 1.0950 1.0044 1 0.7508 0.7463 0.8988 1.6169 0.5935 1.1298 1.4368 0.5076 linoleate (18:2n6) Linoleic acid 1.3048 0.9073 1 0.9265 0.8287 1.1814 1.4533 0.6768 1.5018 1.5247 0.7461 linolenate [alpha or gamma; (18:3n3 or 6)] Octadecatrienoic acid 1.2313 0.9109 1.0195 0.7285 0.7623 1 1.8739 0.5933 1.5927 1.4651 0.6596 linoleoyl ethanolamide Linoleoyl-EA 1.3688 1.2966 1.1532 0.8952 0.9457 0.7441 1.7998 0.7565 1 1.6571 0.5903 margarate (17:0) Margaric acid 1.0659 0.8915 0.9070 1.0294 0.8388 1.2311 1 0.7763 1.2632 1.5403 0.7292 mead acid (20:3n9) ETrE(5Z,8Z,11Z) 1.3245 0.7217 0.7313 1.5886 1 1.3751 0.6078 0.6364 1.3487 1.5425 0.3966 methyl glucopyranoside (alpha + beta) Methyl glucose 1.3603 0.9719 1 1.5147 1.6521 0.6549 0.6543 1.0407 0.4499 0.6588 1.0632 myristate (14:0) Myristic acid 1.1903 1 1.0756 0.6786 0.7620 0.9645 1.9867 0.6148 1.3434 1.6291 0.4469 myristoleate (14:1n5) Myristoleic acid 1.1725 1.0322 1 0.6837 0.7958 0.7411 1.5615 0.6235 1.2397 1.4438 0.3328 N-(2-furoyl)glycine 2-Furoylglycine 1.0723 0.9277 1.8987 0.8110 0.8110 2.6191 0.8110 0.8487 0.8110 0.8110 0.8110 N2_N6-diacetyllysine N,N'-Diacetyl-lysine 1.4073 1.3152 0.9878 1 1.1894 0.9320 0.9744 1.1835 0.8859 0.8604 1.1753 N6-carbamoylthreonyladenosine N6-Carbamoyl-L-threonyladenosine 1.0636 1.2493 1.0744 1 1.1529 1.1787 0.8787 0.7049 0.8307 0.8225 0.7958 N6-succinyladenosine Succinyladenosine 0.6965 0.6533 0.6400 1 1.0487 1.4355 0.5124 1.5768 1.2302 0.6984 1.0948 N-acetyl-2-aminooctanoate* N-Acetyl-2-aminooctanoic acid 1.4613 1.4624 1.0605 1.0795 1.5353 0.9140 0.5932 1 0.6668 0.8429 0.9601 N-acetyl-beta-alanine N-Acetyl-beta-alanine 0.9995 1.1498 1 0.8358 1.0229 1.1276 1.1254 0.9927 0.9166 1.1155 0.9953 N-acetylcitrulline N-Acetylcitrulline 1.0433 0.5208 0.6935 0.6374 0.9113 1 1.2485 1.4352 1.2674 0.5938 1.1701 N-acetylisoleucine N-Acetylisoleucine 1.1681 0.8946 0.8021 1.1292 0.8181 1.0274 1 1.2638 0.9960 0.7180 1.4652 N-acetylleucine N-Acetylleucine 1.2048 1 0.8699 0.9690 0.8522 0.8185 1.3380 1.2811 1.0736 0.5763 1.8376 N-acetylmethionine N-Acetylmethionine 1 0.9660 1.0432 0.8907 0.8970 1.0189 0.8392 1.3344 1.1600 0.9721 1.3693 N-acetylphenylalanine N-Acetylphenylalanine 1.2688 1 0.8302 0.8470 0.8618 0.7007 1.9720 1.1612 1.3697 0.7884 1.0048 N-acetylpyrraline Dehydroepiandrosterone 0.5961 2.4918 0.5403 0.5403 0.5403 1.2081 0.7035 1.5525 0.7919 0.5403 2.7635 N-acetyltaurine N-Acetyltaurine 1 1.0020 0.6893 1.3027 1.0692 1.2872 0.6992 1.1900 0.7296 0.8985 0.9543 N-acetylthreonine N-Acetylthreonine 1.0732 1.1634 1.1102 1 0.9457 1.0857 0.7679 0.9976 0.7255 0.9505 1.2473 N-acetyltryptophan N-Acetyl-tryptophan 1.3485 0.9449 0.8663 1 0.9896 0.7287 2.3229 1.2903 1.2150 0.7585 1.2788 N-acetyltyrosine N-Acetyltyrosine 0.6387 0.6488 0.5594 0.4955 0.6596 1 3.1611 1.0240 1.0800 1.0625 1.1482 N-acetylvaline N-Acetylvaline 1.1113 1 0.6746 1.0994 0.9058 0.9672 1.0210 1.0897 0.8040 0.7393 1.4105 N-delta-acetylornithine N(5)-Acetyl-ornithine 0.7665 0.7672 0.7999 1.2810 0.7475 1.4616 0.9032 1.1338 1 1.3746 1.4347 N-formylmethionine N-Formylmethionine 1.1141 1.4769 1.2982 0.9381 0.9353 1.0021 0.4964 0.9402 0.7091 1 1.4452 nisinate (24:6n3) THA 1 0.8233 1.0091 1.0420 0.8677 1.1103 0.5073 0.4702 1.1704 1.4589 0.6392 N-linoleoyltaurine* NA-Taurine 18:2(9Z,12Z) 1.0642 1 0.8254 1.0084 0.7066 1.0154 1.5458 0.7900 0.7926 1.0064 0.7629 N-octanoylglycine Capryloylglycine 1.5329 1.5376 0.8400 1.0918 1 0.1671 0.8718 1.2470 0.6612 1.0368 0.8225 N-oleoyltaurine NA-Taurine 18:1(9Z) 1.3069 1.1644 0.9575 1 0.9576 1.0291 1.2622 0.8738 0.8991 1.2150 0.7283 nonadecanedioate (C19-DC) 1.1746 1.2772 1 0.9168 1.4635 0.8065 3.4412 0.6955 1.0150 0.7416 0.6050 nonadecanoate (19:0) Nonadecenoic acid 1.0826 1 1.0105 0.9955 0.7686 1.0423 1.2991 0.6597 0.9316 1.7555 0.6779 N-palmitoylglycine N-Palmitoyl glycine 1.0402 1.4196 1 0.9342 0.7881 1.3382 1.6198 0.9725 1.3643 0.9293 0.8088 N-palmitoyltaurine NA-Taurine 16:0 1.2281 1.3887 0.9392 0.9137 1.0038 1.4580 1 0.9560 0.3720 1.0282 0.9457 N-stearoyltaurine NA-Taurine 18:0 1.2036 1.2053 0.7277 1.0424 0.8733 0.9867 1.2761 1.0223 1 0.9823 0.7414 o-cresol sulfate o-Cresol sulfate 0.9358 1.0238 0.6125 0.6125 1 0.6125 0.6125 0.6125 0.6125 0.6125 1.4159 octadecadienedioate (C18:2-DC)* Octadecanedioic acid 1.4534 1 1.0821 0.7246 0.8484 0.7152 6.6248 0.7796 1.1224 1.0377 0.7635 octadecanedioate (C18-DC) Octadecanedioic acid 1.3889 1.1200 1.3371 1.1548 1 0.8946 2.0331 0.7023 0.9295 0.9146 0.9517 octadecenedioate (C18:1-DC)* 1.5287 1.0844 1.0469 0.8472 1 0.5031 4.0402 0.5933 1.0377 0.8054 0.6093 oleate/vaccenate (18:1) Oleic acid 1.1022 0.7953 0.8510 1 0.8565 1.3475 1.0014 0.6129 1.4570 1.6222 0.5372 oleoyl ethanolamide Oleoyl-EA 1.2222 0.9962 1.2437 1.0916 1.0758 1.1562 0.8347 0.9950 0.5726 1 0.8713 O-sulfo-L-tyrosine Sulfotyrosine 1.0375 0.7997 0.7801 1 1.2783 2.0444 2.7107 0.9808 2.0514 0.8473 0.9222 oxalate (ethanedioate) Oxalic acid 1.0093 1.1251 0.8936 1.1229 1 1.0670 0.6138 0.8702 0.8888 1.0743 0.9493 palmitate (16:0) Palmitic acid 1.0891 0.9235 1 0.9738 0.8076 1.1481 1.1480 0.7211 1.3109 1.5698 0.6828 palmitoleate (16:1n7) Palmitoleic acid 1.0674 1.0225 0.9361 0.7545 0.7283 1 1.3824 0.5613 1.2802 1.8851 0.3945 palmitoyl ethanolamide Palmitoyl-EA 1.1089 1 1.0954 0.9588 0.8468 1.1272 1.3810 0.8279 0.4930 1.0352 0.8362 p-cresol glucuronide* P-Cresol glucuronide 1.0845 1 1.3625 1.2360 1.7215 1.5937 0.4571 0.3640 0.0810 0.2631 0.0192 p-cresol sulfate p-Cresol sulfate 1 1.1276 1.0826 1.2201 1.4692 1.3727 0.5680 0.6343 0.3021 0.6788 0.1501 pelargonate (9:0) Pelargonic acid 0.8292 1 1.2930 1.9267 0.9005 1.6830 0.8634 1.2671 0.8461 1.2982 0.8781 pentadecanoate (15:0) Pentadecylic acid 1 0.9875 0.9296 1.2010 0.8853 1.5708 1.0344 0.8590 1.1257 1.6893 0.8324 phenol sulfate Phenyl hydrogen sulfate 1.3420 0.4491 2.2033 0.3085 0.9112 1.0148 1.7197 0.6369 0.2722 1.8392 1 phenylacetate Phenyl acetate 1.0385 0.4805 1.0788 0.7951 1.3562 2.3244 4.1927 0.5763 0.6192 0.4805 0.9615 phenylacetyltaurine 1.3076 0.8474 1.0106 1.0397 1.2718 1.4181 0.3193 1 0.6251 0.3808 0.8851 phenylalanylhydroxyproline* 1.6479 1.4584 1.2223 0.4709 1.4139 0.5926 0.7810 1.1544 0.3901 0.4599 1 phenyllactate (PLA) Phenyllactic acid 1.1742 1.0308 0.7912 1 0.9383 0.9430 1.5267 1.1085 0.8189 0.8914 1.4252 phenylpropionylglycine Phenylpropionylglycine 1.1536 1.4439 0.8662 1 1.0895 0.6827 0.4223 1.6131 0.4146 0.9301 2.4941 phenylpyruvate Phenylpyruvic acid 0.9427 0.8561 1.0136 0.9247 1 0.7802 2.2524 1.3843 1.1432 0.9247 1.6230 phosphoenolpyruvate (PEP) Phosphoenolpyruvic acid 1 0.4383 1.3044 1.4082 1.2227 5.6725 0.7464 0.7430 3.2476 0.6868 0.4773 phosphoethanolamine Phosphoethanolamine 0.8504 0.8372 0.8584 1.4913 1.0867 4.0998 0.7787 1 1.2448 1.3449 0.7883 p-hydroxybenzaldehyde 4-Hydroxybenzaldehyde 1.3522 0.2912 0.9291 1.3690 0.8517 1.7638 5.3391 0.7539 1.7710 0.9468 1 propionylglycine Propionylglycine 1.4999 1.3641 0.6027 1.2927 1.2147 0.6176 0.7251 0.8926 0.7751 1 1.6587 pseudouridine Pseudouridine 1.1056 1.1744 1 0.8636 1.1117 1.1509 0.6870 0.7361 0.8370 1.0212 0.9095 pyridoxate 4-Pyridoxic acid 1.1482 1.7681 0.7204 0.6965 1 0.6314 2.5510 1.4715 0.8986 0.8411 1.1573 riboflavin (Vitamin B2) Riboflavin 1.0525 0.9723 1.0214 0.9259 0.8583 1.4734 1.1524 0.9255 0.9178 1.1357 1 S-(3-hydroxypropyl)mercapturic acid (HPMA) N-Acetyl-S-(3-hydroxypropyl)-cysteine 1.0904 1.0405 1.0484 0.7330 1 1.1694 0.3236 0.7679 0.4351 0.5469 1.5003 S-adenosylhomocysteine (SAH) S-Adenosylhomocysteine 1.2341 1.4099 0.9122 1 0.8655 1.2243 0.1463 1.2634 0.8066 0.5673 2.1382 sebacate (C10-DC) Sebacic acid 1.3735 1.2715 1.2824 0.9006 1.1538 1 1.6445 0.7261 0.8528 0.7409 0.9542 sedoheptulose-7-phosphate Sedoheptulose 7-phosphate 0.8133 0.5750 1 1.5602 1.7243 7.2675 1.2043 0.8102 3.4572 0.6602 0.4260 S-methylglutathione S-Methylglutathione 1.0211 1.2297 0.9376 1 1.2873 0.5054 1.7700 0.9697 1.1854 0.5779 0.8884 stearate (18:0) Stearic acid 1.0347 0.8233 0.8814 1 0.8419 1.2467 1.0145 0.8002 1.1536 1.4405 0.6979 stearidonate (18:4n3) Stearidonic acid 1.0219 0.9570 1.1530 0.6921 0.7693 1.0733 0.9694 0.5685 1.5083 1.8693 1 suberate (C8-DC) Suberic acid 1.3205 1.1076 1 0.9599 1.0704 0.7568 0.5650 1.0396 0.6935 0.7787 1.0697 sulfate* Sulfate 0.9973 0.9691 1 1.0110 0.8796 1.3253 1.1708 0.9310 0.9574 1.2504 1.1890 tartarate Tartaric acid 0.8987 0.6876 0.7306 0.9749 0.8115 2.8042 1.6232 1.8709 1.2870 1 2.1362 tartronate (hydroxymalonate) Hydroxypropanedioic acid 0.9891 1.0996 1 1.0655 1.0090 0.9177 0.4750 1.0587 0.8019 1.0700 0.9289 tauro-beta-muricholate Tauro-beta-muricholic acid 0.9875 0.4338 32.6708 8.9583 0.8464 0.3631 618.0423 1.0086 1.0926 1 0.7888 taurochenodeoxycholate Taurochenodeoxycholic acid 0.4537 0.3244 11.3091 3.6247 1 0.5880 201.4055 0.7770 0.7237 1.1892 1.0892 taurocholate Taurocholic acid 0.5968 0.2629 31.2420 13.2964 0.8940 0.3982 241.8326 0.8208 1.6249 1 1.0319 taurodeoxycholate Taurodeoxycholic acid 0.6955 0.3207 6.8089 2.9422 0.9547 1 34.7526 0.6942 1.5550 1.3862 0.7313 taurohyodeoxycholic acid Taurohyodeoxycholic acid 0.4164 0.2100 4.6471 3.1538 0.8192 0.4650 82.9559 1.2379 1.6606 1 0.9211 tauroursodeoxycholate Tauroursodeoxycholic acid 0.9489 0.5813 16.6286 5.8005 0.9548 0.7229 120.2453 1.1069 1.3736 0.9915 1 tetradecadienedioate (C14:2-DC)* 1.4825 1 0.7494 0.6072 1.5538 0.3826 1.2372 0.7165 0.6900 1.0199 1.1363 tetradecadienoate (14:2)* Tetradecadienoic acid 1.6344 1.0629 1 0.7610 0.9235 0.4045 1.5873 0.5530 1.2556 1.1303 0.4244 tetradecanedioate (C14-DC) Tetradecanedioic acid 1.4372 1.1095 1.0114 0.6680 0.7213 0.5853 2.8153 0.6924 1.1315 1 0.7402 thromboxane B2 TXB2 0.9681 0.9364 0.4628 1.0126 1.5498 1 1.8666 1.0100 0.9696 1.1491 0.1120 thymidine Thymidine 0.9449 0.9546 1.2499 1.0496 1 1.2639 1.6588 0.8491 0.7370 0.9948 1.0010 thymine Thymine 0.9009 1.3865 0.8244 1.1880 0.9578 0.8330 3.2833 1 1.0108 0.6503 1.0576 thyroxine Thyroxine 1.5010 1.0153 0.8714 1.0325 0.9183 1.1804 0.9286 0.7746 0.9093 1.1295 1 trans-2-hexenoylglycine 1.2607 1.5343 1.1155 1 0.8505 0.7374 0.8507 1.3812 0.8568 1.2757 0.9390 undecanedioate (C11-DC) Undecanedioic acid 1.0568 0.8504 1.2376 1.1789 0.9435 0.9943 1.7615 0.9126 0.9671 1.2523 1 undecanoate (11:0) Undecylic acid 0.9660 0.8989 1.0575 1.3235 0.9597 1.7664 1.1681 0.9109 0.9860 1.5420 1 urate Uric acid 1.0226 1.2995 0.7667 0.8567 0.9907 0.5260 1.6065 1.3409 0.6552 1 1.1657 uridine Uridine 1.3143 1.4225 0.8917 1.0862 1.2015 0.7880 0.9747 1.1011 0.8049 0.9859 1 ursodeoxycholate Ursodeoxycholic acid 2.4623 0.4700 0.7324 0.9188 1.6056 1 8.7421 1.3216 1.7985 0.5372 0.9414 valerate (5:0) Valeric acid 0.9371 1.6880 0.5549 4.4439 0.6845 0.5549 1.7815 1.0629 0.5549 0.5549 0.8644 valerylglycine Valerylglycine 1.4657 1.6184 0.6217 1 1.2478 0.4314 0.2192 1.0914 0.5171 0.5744 1.0931 xanthine Xanthine 0.9173 0.9860 0.8940 1.2269 1.0094 1.9910 0.5072 0.9906 1.0402 1.2476 0.5072 xanthosine Xanthosine 1.3143 2.9411 0.6807 1.0368 1.5296 0.6495 0.7708 2.4990 0.8689 0.8709 1