Metabolite_name RefMet_name 2831 2891 6541 5111 6914 6924 6991 7011 7021 7022 7001 7002 7003 7004 7005 Factors - diabetes:db/db | time of day:ZT17 diabetes:db/db | time of day:ZT17 diabetes:db/db | time of day:ZT17 diabetes:db/db | time of day:ZT5 diabetes:db/db | time of day:ZT5 diabetes:db/db | time of day:ZT5 diabetes:db/db | time of day:ZT5 diabetes:db/m | time of day:ZT17 diabetes:db/m | time of day:ZT17 diabetes:db/m | time of day:ZT17 diabetes:db/m | time of day:ZT5 diabetes:db/m | time of day:ZT5 diabetes:db/m | time of day:ZT5 diabetes:db/m | time of day:ZT5 diabetes:db/m | time of day:ZT5 10-heptadecenoate (17:1n7) 10Z-Heptadecenoic acid 1.0377 1.0927 0.8955 0.5183 1.3593 1.7344 0.4816 0.8193 0.4363 0.4770 0.9409 0.6609 0.9434 0.7485 0.9088 10-nonadecenoate (19:1n9) Nonadeca-10Z-enoic acid 1.0645 0.9192 0.8005 0.5080 1.2052 1.3676 0.6310 0.7998 0.4771 0.4860 0.8091 0.6852 0.8100 0.7498 0.8326 12_13-DiHOME 12,13-DiHOME 1.5642 1.3320 1.3725 0.7405 0.7326 2.1427 1.3279 1.6216 1.0580 0.9225 0.9811 0.7778 0.8744 1.3243 1.0615 1_2_3-benzenetriol sulfate (2) 1.6860 1.6700 14.3147 0.2706 0.2706 3.1644 6.0066 0.2706 0.9967 1.0033 0.7813 0.8667 0.9942 0.2706 0.2706 12-dehydrocholate 12-Ketochenodeoxycholic acid 0.0528 0.0528 0.0528 0.0528 0.4459 0.0528 0.3959 0.0528 0.0528 0.0528 0.0528 0.0528 0.0528 0.0528 0.0528 12-HEPE 12-HEPE 3.2247 1.0144 1.0618 0.5965 0.7663 5.0395 0.7058 0.2480 0.2813 0.2158 1.6846 1.0613 2.1514 0.5039 2.0004 12-HETE 12-HETE 1.8334 0.9402 1.3229 0.4853 0.6330 3.4948 0.6550 0.5717 0.5350 0.5949 1.5363 1.1416 2.6941 0.5690 2.6089 12-HHTrE 12S-HHTrE 1.5265 4.3003 6.0137 0.6412 0.9926 2.7057 2.0129 3.6862 2.9511 5.5951 0.3164 0.2823 0.5010 1.3478 6.0833 13-HODE + 9-HODE HODE 2.4119 2.0982 1.6911 0.5529 1.0398 10.6136 0.7638 0.7921 0.7607 0.6317 0.8900 0.8559 1.5372 0.9602 1.4529 13-methylmyristate (i15:0) Isopentadecylic acid 0.5156 0.6595 0.4620 0.6033 0.7507 0.8094 0.6273 0.9373 0.4300 0.6255 1.0563 0.9623 1.1289 0.5766 0.6317 14-HDoHE/17-HDoHE 1.4180 0.7331 0.9484 0.7115 0.6363 9.1386 0.6298 0.5969 0.3992 0.2932 2.0668 1.8155 3.1904 1.1600 2.5258 1_5-anhydroglucitol (1_5-AG) 1,5-Anhydrosorbitol 0.0120 0.0104 0.0964 0.0805 0.0318 0.0292 0.0518 1.2101 1.2978 1.2884 1.0074 1.0942 1.0823 1.3728 1.2861 15-HETE 15-HETE 1.4971 1.4942 1.6159 1.4105 0.9452 14.3382 1.1618 0.6651 0.5356 0.8158 0.3650 0.3650 0.3650 0.8374 0.3650 15-methylpalmitate (i17:0) 15-Methylpalmitic acid 0.7072 0.8142 0.7052 0.5691 1.0661 1.1577 0.6631 0.8879 0.6230 0.5899 0.9198 0.9039 1.0140 0.9476 0.9413 16-hydroxypalmitate Juniperic acid 0.8115 1.0178 0.8351 0.4899 0.9822 1.1883 0.4204 0.8208 0.3460 0.5967 0.8906 0.5025 0.6876 0.6354 0.7072 17-methylstearate (i19:0) Xi-17-Methyloctadecanoic acid 0.7855 0.8781 0.7226 0.5226 1.0025 0.7429 0.6912 1.1469 0.9934 0.8233 0.8466 0.9879 0.9262 1.4641 1.1692 1-arachidonoyl-GPI (20:4) LPI 20:4/0:0 0.6100 0.6962 0.6622 0.6833 1.7974 1.1878 0.8058 0.3915 0.3381 0.2602 0.5026 0.4429 0.4427 1.0892 1.1369 1-arachidonylglycerol (20:4) MG 20:4 1.9894 1.8852 2.5181 0.9235 1.0089 0.5626 0.8870 0.9802 0.9341 1.1518 0.4381 0.3728 0.3464 0.9911 0.8024 1-dihomo-linolenylglycerol (20:3) MG 20:3/0:0/0:0 2.8273 2.3526 3.2662 0.5862 0.7039 1.4995 1.1656 0.4994 1.5811 1.0030 0.6621 0.3654 0.5041 0.9258 0.8995 1-dihomo-linoleoylglycerol (20:2) MG 20:2 1.8537 1.9616 1.1972 0.1802 0.7780 0.4604 1.4447 1.1599 1.1334 1.9980 0.6076 0.6396 0.4724 0.7840 0.6149 1-linolenoylglycerol (18:3) MG 18:3 4.0071 6.0237 3.4746 0.3408 0.4426 0.8422 1.5196 1.2757 3.4927 3.5674 0.6375 1.0358 0.4188 1.0828 0.5691 1-linoleoylglycerol (18:2) MG 18:2 2.8823 3.9370 2.3146 0.2625 0.6019 0.7985 1.4414 1.0952 2.0875 2.3527 0.7620 0.7284 0.4268 0.6291 0.4408 1-linoleoyl-GPG (18:2) LPG 18:2/0:0 0.8168 1.3231 0.5872 1.0370 1.3994 1.1693 5.8987 0.7264 0.7288 0.6458 0.8322 0.5563 0.8352 1.2595 1.2928 1-linoleoyl-GPI (18:2) LPI 18:2/0:0 1.2657 0.9608 0.8308 0.7804 1.0134 1.0997 1.2017 0.9866 0.8985 0.7165 0.9798 0.8419 0.9777 3.3001 3.3100 1-linoleoyl-GPS (18:2) LPS 18:2 1.4484 2.3755 0.6408 1.6962 1.0281 4.3230 0.3067 0.6296 0.7793 0.9695 1.3126 1.8049 4.3667 0.4709 1.0029 1-methylhistidine 1-Methylhistidine 0.2111 0.2176 1.0172 2.8919 0.5454 0.2765 0.7426 1.3774 1.3361 1.5246 1.0963 1.0054 1.1243 1.0413 0.9946 1-oleoylglycerol (18:1) MG 18:1/0:0/0:0 3.5342 3.0033 3.6900 0.3599 1.2924 1.2065 0.8890 0.4398 1.0470 0.9420 0.5292 0.4452 0.3120 0.3389 0.2389 1-oleoyl-GPG (18:1) LPG 18:1/0:0 1.4546 0.1657 1.2190 1.5470 1.3508 0.9758 5.5299 0.9253 0.6171 0.6691 0.2838 0.6244 0.4951 0.8762 0.3521 1-oleoyl-GPI (18:1) LPI 18:1/0:0 2.0139 0.8855 1.7452 0.7436 1.1956 0.9303 0.8788 0.6490 0.6849 0.4349 0.5991 0.5181 0.5711 1.7504 1.9223 1-palmitoleoylglycerol (16:1) MG 16:1 6.7364 1.7093 6.0337 0.2560 0.8581 0.7737 0.4692 0.5147 1.2304 1.3119 0.5951 0.4927 0.2560 0.3566 0.6031 1-palmitoyl-GPG (16:0) LPG 16:0/0:0 1.4145 1.4002 1.1595 1.0454 1.0016 1.0547 1.7238 0.8476 1.1095 0.9943 0.8552 0.7623 0.8550 1.1859 1.3061 1-palmitoyl-GPI (16:0) LPI 16:0/0:0 2.1424 0.8557 1.7805 1.1216 0.9177 0.7011 0.8812 0.8447 1.0323 0.6133 0.5660 0.5480 0.5741 1.7565 2.4608 1-stearoyl-GPG (18:0) LPG 18:0/0:0 0.9617 1.6422 0.9880 2.3085 2.6407 1.5331 2.9599 0.5456 0.4497 0.6491 0.4497 0.4497 0.4497 1.3935 1.2303 1-stearoyl-GPI (18:0) LPI 18:0/0:0 0.9943 1.0409 1.3837 1.1734 1.5854 0.9097 0.8500 0.7891 0.6973 0.5003 0.4447 0.4151 0.4301 1.1254 1.2352 2-(4-hydroxyphenyl)propionate 4-Hydroxyphenyl-2-propionic acid 4.0614 3.0946 3.0454 0.5590 1 1.2892 1.4570 0.9107 1.7021 1.6195 0.8984 0.8360 0.5968 1.2797 1.3200 2_8-quinolinediol sulfate 1.1425 2.0131 0.3071 0.9926 1.5887 1.0215 1.6166 1.0748 0.5994 1.0074 0.3351 0.5453 0.5411 0.9528 0.8839 2-aminoadipate alpha-Aminoadipic acid 1.2273 1.1021 1.1212 0.8351 0.5692 0.9837 0.6424 0.8928 1.5474 1.3032 0.5835 0.9120 1.1200 1.8467 1.9819 2-aminooctanoate 2-Aminocaprylic acid 0.9003 0.7510 1.0010 0.7588 0.5393 0.3859 0.9994 1.3279 1.0477 0.8559 1.0061 0.7841 0.8600 1.0588 1.3215 2-aminophenol sulfate 2-Aminophenyl sulfate 2.5611 3.0405 2.5483 1.0586 1.1533 1.8021 0.9227 2.0232 2.2391 2.0915 0.5589 0.6132 0.5347 1.4034 0.9414 2^-deoxyuridine Deoxyuridine 1.4359 0.5736 1.0603 1.4821 0.5191 0.3710 2.5930 1.2342 1.1863 1.0307 1.2480 1.3104 1.4480 1.4945 1.4680 2-hydroxy-3-methylvalerate 2-Hydroxy-3-methyl-pentanoic acid 0.7177 0.8178 1.2620 0.6498 1.8464 1.2219 1.0097 0.3833 0.5116 0.4579 0.4883 0.4957 0.4714 0.5220 0.6299 2-hydroxydecanoate 2-Hydroxycapric acid 1.3427 1.6070 1.5146 0.9394 1.3218 0.7980 1.5177 0.9223 0.7648 0.5344 0.6100 0.6016 1.0320 1.0074 0.9926 2-hydroxyoctanoate 2-Hydroxyoctanoic acid 0.8044 1.1149 1.2567 0.6125 1.0659 1.1183 1.1242 0.8116 1.1456 0.6475 2.7856 1.6448 0.6270 1.0195 1.1276 2-hydroxypalmitate 2-Hydroxypalmitic acid 0.7446 0.8850 0.7386 0.6696 0.9140 1.0334 0.7998 0.8502 0.6521 0.5679 0.6493 0.6658 0.7021 1.0629 1.1452 2-hydroxystearate 2-Hydroxystearic acid 0.9236 0.8841 1.0007 0.6927 0.9993 0.8827 0.7384 0.7524 0.6875 0.4766 0.5948 0.6008 0.6291 1.0074 1.0906 2-linoleoylglycerol (18:2) MG 18:2 2.6245 3.7193 2.1172 0.1846 0.5221 1.2299 2.0840 0.9976 2.0696 2.3012 0.7868 0.6160 0.4320 0.5574 0.3528 2-methylbutyrylglycine 2-Methylbutyrylglycine 0.7223 0.8679 0.8866 0.6811 1.0991 1.1112 0.2620 0.8138 0.8066 1.3177 0.8058 1.6642 0.8570 1.1173 0.9912 2-methylcitrate/homocitrate Homocitric acid 0.9101 1.0239 0.8440 1.6519 1.0055 0.9945 0.9795 1.2369 1.2015 1.2257 0.7209 0.5120 0.7795 1.7029 1.5992 2-oleoylglycerol (18:1) MG 0:0/18:1(9Z)/0:0 2.9827 2.7379 3.7252 0.3575 0.7780 2.6648 1.2034 0.2281 1.1378 1.0368 0.5471 0.2683 0.5084 0.2619 0.3015 2^-O-methyluridine 2'-O-Methyluridine 0.8329 0.4484 0.4254 1.2712 1.2676 0.4525 9.2735 0.7227 1.0276 0.9785 0.9398 0.9340 1.1563 1.8533 2.0960 2-palmitoleoyl-GPC (16:1) LPC 0:0/16:1 1.7443 0.8042 2.0071 0.9515 2.9231 1.2858 1.1389 0.5233 0.5698 0.3537 0.4272 0.5741 0.7206 0.9166 1.2997 2-palmitoyl-GPC (16:0) LPC 0:0/16:0 1.3161 1.1469 1.2721 0.9719 1.7737 1.1258 1.2561 1.0225 0.9775 0.7901 0.5926 0.6190 0.6616 1.5883 1.6889 2-stearoyl-GPE (18:0) LPE 0:0/18:0 1.9660 1.7007 1.4208 2.2646 1.5497 1.0561 1.1172 1.1916 1.2337 1.0696 0.5197 0.6831 0.6911 0.7256 0.7987 3-(3-hydroxyphenyl)propionate 3-(3-Hydroxyphenyl)propanoic acid 19.0037 2.6529 5.6072 0.1493 0.9009 1.1204 1.4081 2.1335 1.9805 2.1710 0.4574 0.1493 0.8998 0.5971 0.7420 3-(3-hydroxyphenyl)propionate sulfate 3-(3-Sulfooxyphenyl)propanoic acid 20.4496 2.7581 5.6800 0.4197 1.3414 2.5423 1.4642 1.0668 1.4484 2.1938 0.6630 0.6011 0.6637 0.8147 0.8206 3-(4-hydroxyphenyl)lactate Hydroxyphenyllactic acid 0.9870 1.0130 1.4197 0.1730 0.7963 1.3775 1.1655 0.7061 1.1602 1.1241 0.8114 1.1497 0.9499 1.0895 0.9137 3-(4-hydroxyphenyl)propionate Desaminotyrosine 21.2524 1.2925 2.4228 0.3228 1.1918 1.0685 1.1853 0.8593 1.7671 1.5027 0.9657 0.3228 0.3957 0.5815 0.4472 3_4-methylene heptanoylglycine 1.3504 1.1563 1.6254 1.1176 0.6782 1.7434 1.3496 2.0546 0.9050 0.9669 1.5761 2.1783 1.7812 1.0387 1.0420 3-acetylphenol sulfate 3-Acetylphenol sulfate 5.1179 0.1451 0.3795 0.1303 0.3976 1.0695 0.1303 3.1244 1.7401 1.0317 1.5719 3.1846 0.9315 1.2767 1.3947 3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-Cmpfp) 3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid 1.4394 1.1764 1.2453 1.1875 1.1558 1.2337 1.2099 0.8093 0.8250 0.1837 0.1837 0.6602 0.4809 0.1837 0.5173 3-dehydrocholate 3-Dehydrocholic acid 0.0965 0.0965 0.0965 0.0965 2.4227 0.1264 1.7648 0.0965 0.0965 0.0965 0.0965 0.0965 0.0965 0.0965 0.0965 3-hydroxy-2-ethylpropionate 2-Ethyl-hydracrylic acid 0.5853 1.6252 1.4796 1.8402 3.1817 1.5013 0.9011 0.5012 0.6309 0.6582 0.4690 0.4841 0.4605 0.5199 0.5565 3-hydroxybutyroylglycine 0.6912 1.0465 0.8753 0.4215 0.9749 2.0723 0.8241 0.6134 1.1291 1.1611 1.5026 0.8709 1 0.9542 0.7564 3-hydroxydecanoate 3-Hydroxydecanoic acid 1.6686 0.7419 0.6967 1.1132 1.2833 0.8431 0.9525 1.0446 0.3825 0.4728 1.6944 0.6268 0.8411 0.3898 0.4106 3-hydroxyhexanoate 3S-Hydroxyhexanoic acid 1.2128 0.7339 0.7894 0.9158 1.1117 1.0203 0.9479 0.9797 0.4820 0.5324 1.6064 0.7021 0.7903 0.4267 0.5436 3-hydroxylaurate 3-Hydroxydodecanoic acid 1.4240 0.6505 0.5904 1.1415 1.2773 0.9567 0.7005 0.8448 0.2904 0.3897 1.4398 0.4990 0.5974 0.3248 0.4022 3-hydroxymyristate 3-Hydroxytetradecanoic acid 1.3402 0.7957 0.6631 0.9910 1.1661 1.0090 0.9828 0.8603 0.4653 0.4775 1.5619 0.6265 0.7229 0.5151 0.6000 3-hydroxyoctanoate 3-Hydroxyoctanoic acid 1.3920 0.7816 0.7443 1.2129 1.2476 0.9055 0.8915 0.9490 0.3086 0.4489 1.8925 0.6670 0.8254 0.3799 0.4235 3-hydroxypalmitate 3-Hydroxyhexadecanoic acid 1 0.7073 0.9184 0.7874 1.0186 0.9698 1.0513 0.7667 0.5413 0.6221 0.9584 0.6020 0.8936 0.7191 0.7464 3-hydroxypyridine sulfate 3-Hydroxypyridine sulfate 0.8857 0.6167 0.6493 0.8716 1.6065 1.4759 2.8688 0.6519 1.7497 1.9505 0.7753 1.2060 0.6852 1.8166 0.9101 3-hydroxysebacate 3-Hydroxysebacic acid 0.5154 0.9856 0.8604 0.5287 1.8330 1.0776 0.5525 0.2787 0.2787 0.4682 0.4646 0.3548 0.2787 0.3362 0.2787 3-hydroxystearate 3-Hydroxystearic acid 0.9716 0.7492 1.0052 0.9948 0.9799 0.6262 0.9623 1.0893 0.7006 0.7979 0.9422 0.8467 0.9204 1.1877 0.9851 3-indoxyl sulfate Indoxyl sulfate 0.9392 0.8232 0.9405 0.4924 1.5214 0.8093 1.1809 0.9657 1.3848 0.9699 0.7404 1.0043 0.5416 0.8977 0.7435 3-methoxycatechol sulfate (2) 0.4369 1.1203 1.5108 0.4369 0.9904 1.5084 0.7320 1.7285 1.5540 1.0675 0.4544 0.4815 0.4536 1.6638 0.7405 3-methyl-2-oxovalerate 3-Methyl-2-oxovaleric acid 0.7941 2.1452 0.9984 0.4137 1.5652 1.2900 0.7264 0.8338 1.0764 1.3216 1.0001 0.9952 0.6931 0.6986 1.0020 3-methyl catechol sulfate (1) 0.2056 0.2045 0.2045 0.5061 1.7573 1.5264 1.6660 0.3262 3.6555 1.8059 1.2132 1.8297 1.3053 1.6483 0.7570 3-methylhistidine 3-Methylhistidine 0.3849 0.3025 1.2547 0.8345 0.8356 0.1796 1.0315 1.1288 1.2192 1.4054 1.7428 2.0714 1.3901 0.8811 0.7387 3-phenylpropionate (hydrocinnamate) Hydrocinnamic acid 0.0276 3.6457 1.8521 0.5015 1.1436 0.8668 1.3843 1.4565 2.4574 3.0753 0.6987 0.4413 0.6475 1.5443 1.5785 3-phosphoglycerate 3-Phosphoglyceric acid 0.9066 1.6677 0.4430 0.4743 0.1074 9.3437 0.4587 1.2491 0.8563 1.9131 14.6562 12.6533 29.3869 0.3304 0.9941 4-acetylphenol sulfate 4-Acetylphenyl sulfate 1.3101 0.9838 0.7517 0.2414 0.5849 1.2795 1.1703 0.7619 1.7272 1.0162 0.5554 2.0416 1.1927 0.5335 0.2414 4-allylphenol sulfate 4-Allylphenol sulfate 0.6820 0.6484 1 0.3924 2.0107 0.8300 0.3924 0.5064 0.4937 0.5596 0.3924 0.3924 0.3924 0.3924 0.4747 4-ethylphenol glucuronide 0.4576 5.2442 3.7829 4.7137 5.3082 4.0287 4.6325 1.7089 0.4163 0.2514 1.2811 0.5560 1.1131 0.6581 0.4181 4-ethylphenylsulfate 4-Ethylphenol 0.4924 6.2288 3.8732 3.0673 6.5053 3.3317 5.0529 1.4265 0.2870 0.1589 0.9432 0.5807 0.7174 0.6051 0.2386 4-hydroxybenzoate 4-Hydroxybenzoic acid 0.2114 0.6427 1.0383 0.2114 0.2114 224.4172 1.1365 0.2114 0.4477 0.5854 905.4740 630.2469 526.1836 0.2114 0.2114 4-hydroxycinnamate cis-p-Coumaric acid 3.2160 1.4253 2.3894 0.4696 0.7272 1.4719 7.7175 0.7167 4.2940 2.4445 1.0070 1.2726 1.6453 2.4144 1.8260 4-hydroxycinnamate sulfate 4-Hydroxycinnamate sulfate 2.5310 1.0781 4.2674 0.4286 0.6513 2.0491 4.1276 0.1618 0.7465 0.2190 0.9219 1.2088 1.1650 0.1618 0.1618 4-hydroxyhippurate 4-Hydroxyhippuric acid 2.6085 0.7545 1.3253 0.9086 0.9196 2.0803 1.1870 0.6435 1.8814 0.7706 0.4827 1.1436 0.9144 1.5481 1.1746 4-hydroxyphenylacetate 4-Hydroxyphenyl acetate 1.3045 1.2181 1.5408 0.3887 0.3887 0.8355 0.3887 0.9729 1.5947 1.1375 0.4197 1.4261 0.3887 0.9602 0.5154 4-hydroxyphenylacetate sulfate 0.6042 0.8344 0.9849 0.4700 1.8053 1.2641 1.0582 0.3213 1.0332 0.7317 0.7450 1.5468 1.0671 0.6405 0.3914 4-hydroxyphenylpyruvate 4-Hydroxyphenylpyruvic acid 1.5934 1.5105 3.0896 0.3590 0.5563 1.3176 4.3607 0.7963 3.5855 3.3243 1.3335 1.4781 1.4143 1.3287 1.1570 4-methoxyphenol sulfate 4-Methoxyphenol sulfate 1.4141 1.8929 1.2825 0.1811 0.9917 1.3721 0.7251 0.6657 1.0083 0.9868 0.1811 0.4915 0.7134 0.6782 0.4376 4-methyl-2-oxopentanoate Ketoleucine 0.8540 2.4363 0.9090 0.3356 1.3981 1.6454 0.6746 0.8060 1.4628 1.6551 1.0081 0.9912 0.8065 0.7172 1.0558 4-methylcatechol sulfate 1.5993 1.5056 1.1947 0.5858 1.1552 0.8839 0.5268 1.1931 1.7067 1.1370 0.7835 1.5777 0.6213 0.6166 0.5271 4-vinylguaiacol sulfate 4-Vinylguaiacol sulfate 1 0.4877 0.9999 0.1977 0.5865 1.0088 4.5138 0.3379 4.3199 2.0898 1.4095 2.3657 1.9949 3.6604 1.5422 4-vinylphenol sulfate 4-Hydroxystyrene 2.2333 0.9452 1.2096 0.4367 1.3927 1.0548 4.9912 0.6765 3.0992 2.4534 0.9231 1.3454 1.5972 2.3774 1.9313 5_6-dihydrouracil Dihydrouracil 0.8282 0.2241 0.2241 0.2241 0.2241 0.2241 0.4451 0.9929 1.0860 1.0738 1.0104 1.8374 1.3108 0.2241 0.9827 5_6-dihydrouridine 5,6-Dihydrouridine 0.5706 0.5728 1.2419 1.3732 1.0272 0.9075 2.5504 1.1223 0.9295 0.7962 0.8371 1.1036 0.8818 1.3315 1.4705 5-dodecenoate (12:1n7) 5-Dodecenoic acid 0.7513 0.6995 1.0144 0.8045 0.8161 0.9856 0.9271 1.2725 0.2562 0.3843 1.3888 0.7139 0.8888 0.4082 0.5195 5-hydroxyhexanoate 5-Hydroxycaproic acid 0.8221 1.6296 1.0412 0.8618 0.5391 0.7032 0.7354 1.3975 1.0112 1.2767 0.7166 0.5211 0.6601 1.0020 1.0449 5-hydroxyindoleacetate 5-Hydroxyindoleacetic acid 1.5407 0.6521 0.9855 0.4868 1.5070 1.7850 1.2381 1.0414 0.8610 0.8002 0.1459 0.2822 0.1818 2.5912 2.8297 5-methyluridine (ribothymidine) Ribothymidine 1.0661 0.7074 0.9571 1.5834 1.1192 1.6646 17.3766 0.8953 0.5482 0.5662 1.2406 1.1854 1.2611 1.8564 2.0917 5-oxoproline Pyroglutamic acid 0.9893 1.0390 1.0334 1.7435 1.1210 1.3631 2.6961 0.9899 0.9209 0.8772 0.7632 0.7829 0.7967 1.2962 1.3055 6-hydroxyindole sulfate 6-Hydroxyindole sulfate 1.1165 1.1798 1.3049 0.5410 1.4922 0.5434 0.8691 0.5522 1.3663 1.0312 0.6284 0.9095 0.4499 0.6330 0.6163 6-oxopiperidine-2-carboxylate 6-oxopiperidine-2-carboxylic acid 1.6081 1.0546 1.6904 0.4373 0.4783 0.6690 1.3871 0.7425 2.2501 2.1400 0.9660 1.0996 1.6357 2.3871 1.7728 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 7alpha-Hydroxy-3-oxo-4-cholestenoic acid 1.9810 0.9384 2.0927 0.4961 0.7828 0.4887 0.6395 1.8034 1.5241 1.2240 0.7211 0.4342 0.6951 1.2096 1.1995 7-ketodeoxycholate 7-Ketodeoxycholic acid 0.1713 0.0926 0.1783 0.0926 1.2610 0.1580 2.3859 0.0926 0.3458 0.5323 0.6370 0.3695 0.7125 0.0960 1 9_10-DiHOME 9,10-DiHOME 1.4859 1.1264 1.0296 0.7099 0.7006 1.9456 1.5869 1.0590 1.0169 0.9333 0.5415 0.6485 0.6873 1.1248 0.9965 aconitate [cis or trans] cis-Aconitic acid 0.7772 0.8720 0.7874 0.7815 0.7677 1.3430 1.3516 0.9150 0.7227 0.9845 1.0016 1.2799 1.0800 0.9541 0.9984 adenosine Adenosine 1.2207 1 1.1237 1.0284 0.9158 0.8111 0.9773 1.4140 6.1890 17.9150 0.5805 0.5431 1.2992 1.1788 1.9401 adrenate (22:4n6) Adrenic acid 1.7663 1.6051 2.1249 0.8623 1.6535 1.8459 1.0488 0.5400 0.8718 0.7418 0.6289 0.6137 0.7182 1.0208 1.1930 alpha-hydroxyisocaproate 2-Hydroxyisocaproic acid 0.8229 0.8169 1.0363 0.3980 1.0240 1.0032 0.7366 0.6674 0.9968 0.8994 0.8255 0.8048 0.9021 0.8698 0.9785 alpha-hydroxyisovalerate 2-Hydroxy-3-methylbutyric acid 0.7314 0.8633 1.3666 0.7494 1.3519 1.0219 0.7704 0.7915 0.7418 0.6839 0.6999 0.6985 0.6758 0.8359 0.9629 alpha-muricholate alpha-Muricholic acid 0.1917 0.1917 0.1917 0.1917 2.9595 0.5392 1 0.1917 0.1917 0.1917 0.1917 0.1917 0.1917 0.1917 0.1917 arachidate (20:0) Arachidic acid 1.0150 1.0289 1.1480 0.7738 0.8069 1.5959 0.9573 1.1165 1.2995 0.9921 1.0791 0.8353 0.9611 1.5276 2.0908 arachidonate (20:4n6) Arachidonic acid 1.0706 1.4623 1.4854 0.9294 1.5685 1.9406 0.5901 0.7485 0.8369 0.7257 0.5850 0.5532 0.5761 1.3370 1.4590 azelate (C9-DC) Azelaic acid 1.0844 1.5138 1.0068 1.2170 1.3393 1.1759 1.0345 0.6467 0.5177 0.4278 0.4589 0.5752 0.6152 0.7842 0.5891 benzoate Benzoic acid 0.9318 1.7659 2.9589 1.0731 1.1004 1.0439 1.1497 0.9304 0.7406 0.9036 0.6376 0.8766 0.7843 0.7036 1.0333 beta-citrylglutamate Beta-Citryl-glutamic acid 0.3531 1.7178 0.3531 0.3721 0.3531 0.3531 0.3531 0.3531 0.6756 0.8107 0.3531 0.3531 0.3531 0.5622 0.3531 beta-hydroxyisovalerate 3-Hydroxyisovaleric acid 1.2112 1.7609 1.1007 1.0923 1.3828 1.1449 1.2508 0.6020 0.9728 0.9882 0.6466 0.7579 0.6514 0.7032 0.7342 beta-muricholate beta-Muricholic acid 0.9466 0.0511 0.3794 0.0740 1.2894 0.4117 6.7060 0.1025 0.2608 0.6476 0.6774 0.4726 0.5523 0.1581 0.9398 biopterin Biopterin 0.9634 1.7591 1.8446 1 0.3300 1.3187 6.6487 1.7587 2.3045 1.6912 0.7619 1.3107 1.5304 1.2909 1.7201 butyrylglycine N-Butyrylglycine 1.5449 2.0354 1.4460 0.7116 1.0705 1.4432 0.5491 0.9226 0.6832 0.7360 0.6470 0.6863 0.5916 1.4180 1.1231 caprate (10:0) Capric acid 0.9382 1.1121 0.9380 1.0235 0.9441 1.1378 1.2757 0.9765 0.7724 1.3120 0.9063 0.7792 0.7693 0.8872 0.9480 caproate (6:0) Caproic acid 1.6239 1.4839 1.2027 0.7907 0.5975 1.5067 1.4932 1.2761 1.1646 1.5406 0.6466 0.4781 0.6628 0.5499 1.0053 caprylate (8:0) Caprylic acid 1.4407 1.6900 1.0605 0.9009 0.7132 1.1448 1.7298 1.4378 1.1976 1.4291 0.4548 0.4275 0.5765 0.5750 1.1557 catechol sulfate Catechol sulfate 2.1382 2.1131 1.8021 0.9147 1.1417 1.3672 0.9418 1.3779 1.8717 1.6607 0.9394 0.9990 0.5890 1.0953 1.0010 C-glycosyltryptophan C-Glycosyltryptophan 0.6161 0.7402 1.1010 1.1353 0.4586 1.5922 0.9534 1.0165 0.9232 0.9990 1.0454 1.3239 1.4612 0.9539 0.9815 cholate Cholic acid 0.0632 0.0283 0.0659 0.5913 26.1225 2.1468 19.0821 0.0259 0.0541 0.2204 0.1517 0.1742 0.1090 0.0792 0.3137 cinnamate trans-Cinnamic acid 0.0421 3.0979 1.3617 0.6384 0.9903 1.5835 1.1282 0.7564 1.8920 3.0127 1.0047 0.8283 1.2253 0.9388 1.4105 cinnamoylglycine Cinnamoylglycine 0.0303 1.3133 0.5672 0.2750 0.3559 0.5965 0.2159 1.5908 2.9609 3.2240 2.0671 2.7489 3.8209 2.0354 3.6456 citrate Citric acid 0.8465 0.8622 0.9941 0.7007 0.8427 1.2480 1.1985 0.9788 0.8387 0.9599 0.8325 1.1187 0.8626 0.9451 1.0211 corticosterone Corticosterone 1.2894 1.6522 1.0835 1.5925 1.3975 1.6192 0.5236 0.2098 0.2992 0.3331 0.6667 0.6584 0.6532 0.2633 0.1246 creatine phosphate Phosphocreatine 0.5978 1.0744 0.1906 0.9820 0.1816 1.2159 0.5728 0.6027 0.5230 0.9844 1.7130 1.7520 1.4242 0.3742 0.5783 daidzein Daidzein 0.7137 0.7416 1.3910 0.3928 1 1.9696 2.5488 0.8392 2.0307 1.5482 0.4734 0.3615 0.8006 3.7297 1.9429 daidzein glucuronide Daidzein 7-O-glucuronide 1.0805 1.1178 1.5822 0.3980 0.7091 2.6935 1.7938 0.4299 1.4897 1.0415 0.6676 0.5402 0.9585 1.6869 0.9500 daidzein sulfate (1) 0.2391 0.2391 0.3979 0.2391 0.8327 1.0394 1.3578 0.2391 1.2701 1.2699 0.3209 0.2391 0.5377 2.3322 1.4172 daidzein sulfate (2) 0.9861 1 1.1742 0.3288 1.2489 1.8388 2.6850 0.6368 1.6588 1.5921 0.6940 0.6119 0.9884 2.2993 1.1698 dehydroisoandrosterone sulfate (DHEA-S) Dehydroepiandrosterone sulfate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 deoxycholate Deoxycholic acid 1.3094 0.8967 0.4559 0.2656 1.2123 0.6068 1.4176 0.3380 0.1989 0.2322 0.1860 0.2602 0.2810 0.1680 0.1497 dihomo-linoleate (20:2n6) 11Z,14Z-Eicosadienoic acid 1.0666 1.2688 0.9797 0.5410 1.4914 1.8280 1.0586 0.5748 0.4499 0.4185 0.8308 0.5506 0.8732 1.0203 1.0566 dihomo-linolenate (20:3n3 or n6) Dihomo-gamma-linolenic acid 1.2372 1.7582 1.2520 0.6339 1.4728 2.5269 0.6257 0.6264 0.6013 0.5706 0.7889 0.6198 0.8624 1.1366 1.3226 dihydrocaffeate sulfate (2) Dihydrocaffeic acid 3-sulfate 8.7042 11.9535 28.6804 0.2963 1.3612 0.9267 0.6886 0.3114 0.7364 1.0148 0.2963 2.4713 0.2963 0.2963 0.2963 dihydroferulic acid Dihydroferulic acid 0.9676 0.8992 1.3223 0.2509 3.2153 2.3298 0.3819 0.8800 1.3964 1.3935 0.5942 0.2440 0.4961 0.8061 0.9053 docosadienoate (22:2n6) 13Z,16Z-Docosadienoic acid 1.0795 0.7227 0.8362 0.9423 0.8878 1.0676 3.4317 0.9608 0.9191 0.8379 1.2210 0.6859 1.4261 1.9549 1.6089 docosahexaenoate (DHA; 22:6n3) DHA 0.7026 1.0451 1.0057 0.9745 1.6134 1.7626 0.5772 0.5890 0.4675 0.3742 0.7926 0.7653 0.8460 1.6955 1.6886 docosapentaenoate (n3 DPA; 22:5n3) DPA 2.1264 2.2278 1.5279 0.8148 1.3468 2.5356 0.8610 0.4708 0.5033 0.4685 0.7453 0.6079 0.7761 0.9447 1.4149 docosapentaenoate (n6 DPA; 22:5n6) Docosapentaenoic acid (22n-6) 1.1069 0.8407 1.4852 0.5534 1.0884 1.0638 0.5537 0.6267 1.2127 0.9975 0.7279 0.4987 0.7212 1.6547 1.6082 docosatrienoate (22:3n3) 13,16,19-Docosatrienoic acid 0.9370 1.0578 0.8580 0.6691 1.2645 1.5586 2.6405 0.8097 1 0.9901 1.0797 0.5939 1.3401 1.8892 1.7992 docosatrienoate (22:3n6) 10Z,13Z,16Z-Docosatrienoic acid 4.3631 1.2983 7.2653 0.0962 2.9800 3.0031 1.5289 0.0284 0.4169 0.2696 0.4704 0.0284 0.2511 0.7821 0.6390 dodecadienoate (12:2) Dodecadienoic acid 1.0042 1.0203 0.6871 1.0894 0.9958 1.0854 0.7741 1.3945 0.2186 0.3126 1.2586 0.5803 0.6925 0.5604 0.5975 dodecanedioate (C12-DC) Dodecanedioic acid 0.5608 1.0726 0.9184 0.6330 1.2159 1.0431 0.9173 0.6839 0.3315 0.7082 1.0553 0.7306 0.7059 0.9569 0.6225 dodecenedioate (C12:1-DC) Traumatic acid 1.4473 1.9674 1.4372 0.9840 1.7939 0.9563 1.8189 0.5423 0.6244 0.8086 0.5060 0.4721 0.7378 0.8856 0.8403 eicosanodioate (C20-DC) Eicosanedioic acid 0.9252 1.1158 1.0551 0.6721 1.3580 1.4397 0.5061 0.6339 0.6155 0.5250 0.7892 0.3669 0.6579 0.8037 1.1888 eicosapentaenoate (EPA; 20:5n3) EPA 1.5148 1.9413 1.4417 0.9640 1.6899 2.2633 0.5755 0.4708 0.6471 0.5373 0.5064 0.4645 0.4151 1.4380 1.9747 eicosenoate (20:1) cis-Gondoic acid 0.9864 0.9937 1.3882 0.5186 1.6308 1.9736 0.5686 1.0244 0.6560 0.5910 1.1571 0.9191 1.0063 0.9396 1.1615 equol glucuronide 2.2347 2.3110 1.8421 0.4465 0.9821 1.3166 0.3639 1.0360 1.7258 1.4717 1.5834 1.2068 1.1487 1.5002 1.6921 equol sulfate 0.8668 1.7665 1.0685 0.7924 1.1221 1.1085 0.5148 3.0190 4.0616 3.3602 2.1225 1.3323 1.8736 3.2627 5.1802 erucate (22:1n9) cis-Erucic acid 1.0188 0.7716 1.4692 0.7351 0.6362 2.2562 1.1023 1.0535 1.2096 0.6314 1.6157 0.9812 1.5028 1.6772 2.0429 ethyl glucuronide Ethyl glucuronide 0.1811 0.3242 0.4142 0.1811 0.5009 3.1542 0.4812 0.1811 0.1843 0.4903 2.1106 8.4259 6.3885 0.2737 0.3289 ferulate trans-Ferulic acid 1.3454 1.2455 1.7976 0.4029 1.3946 1.2793 3.5024 1.1947 3.6431 1.8684 0.7114 0.6815 0.9482 2.9363 1.8741 ferulic acid 4-sulfate Ferulic acid 4-sulfate 1.3921 1.3166 2.3412 0.5109 1.1713 3.0237 2.0983 0.4408 1.0405 0.9035 0.7415 1.1149 1.0121 1.1251 0.7295 flavin adenine dinucleotide (FAD) FAD 1.5322 1.4739 1.9100 2.4637 1.8266 2.1501 3.8519 0.8077 0.8402 0.8484 0.8670 0.8229 1.1818 0.6218 0.8855 genistein Genistein 0.9042 0.9731 1.8226 0.2437 2.3422 2.5483 3.3918 0.7771 2.5522 2.2816 1.4319 0.4636 0.9942 3.5065 2.0774 genistein glucuronide 0.9768 1.1451 1.5104 0.1866 0.9446 2.7189 1.5940 0.2384 1.4022 1.0232 0.7280 0.5307 1.0304 1.6993 0.9131 genistein sulfate 0.9852 0.7500 1.0148 0.2254 1.3029 1.5831 1.9561 0.6277 2.1681 2.3053 0.7287 0.5479 1.0639 2.9533 1.5718 glucuronide of C10H18O2 (12) 1.7181 1.8997 1.7690 0.8632 0.9137 2.7405 1.3764 1.0082 0.5490 0.6170 0.9237 1.1676 1.1165 0.5897 0.7989 glucuronide of C14H22O4 (1) 2.7918 1.4372 1.7266 0.6259 1.2245 1.8274 0.6239 0.2845 0.1856 0.1856 0.1856 0.2129 0.1856 0.2352 0.1856 glucuronide of C14H22O4 (2) 1 1.3409 0.7052 0.3011 1.9863 1.4061 1.0138 0.3011 0.3011 0.3011 0.3011 0.3011 0.3011 0.3011 0.3011 glycerol Glycerol 0.8792 0.9537 1.1431 1.1700 1.2845 1.1922 0.8999 1.0463 0.6938 0.5707 0.3372 0.2246 0.3656 1.2659 1.2613 glycine conjugate of C10H14O2 (1) 0.9713 1.0113 0.7081 0.4632 0.2311 0.2318 0.7162 2.0138 1.2416 1.0339 1.9735 2.2176 1.6880 1.0457 0.9822 glycocholate Glycocholic acid 1.1865 0.1610 0.8169 0.1610 5.1626 0.8286 3.3515 0.1610 0.1610 0.1610 0.1610 0.6394 0.1610 0.1610 0.1610 guaiacol sulfate Guaiacol sulfate 1.3155 1.4047 0.8939 0.3714 0.6706 1.4073 0.4772 2.5838 1.8925 1.5880 1.1130 1.5670 0.8093 1.2385 0.7750 heneicosapentaenoate (21:5n3) 6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acid 0.9257 1.6858 1.2638 0.2117 1.8734 1.9518 0.3955 0.3102 0.7704 0.6941 0.5546 0.6948 0.5819 2.1240 2.0115 HEPES 0.1812 0.1330 0.1783 0.8638 0.9776 0.1330 0.9028 0.1795 0.1695 1.2632 0.1330 0.1330 0.1330 1.3987 0.8657 heptadecatrienoate (17:3) Heptadecatrienoic acid 0.8880 1.6759 1.0474 0.4717 0.8011 2.3918 0.6134 0.8179 0.5845 0.7745 1.0014 0.9962 1.1125 1.1632 1.3309 heptanoate (7:0) Heptylic acid 1.6992 1.4532 1.4317 0.6501 0.8179 0.5599 0.9553 1.3616 1.6032 1.5585 0.3970 0.5352 0.7313 0.7447 1.1973 hexadecadienoate (16:2n6) 7Z,10Z-Hexadecadienoic acid 0.7316 1.6458 0.7851 1.0522 0.8370 2.0224 1.2415 0.9326 0.2523 0.3825 1.1906 0.7175 1.0775 0.7543 0.7782 hexadecanedioate (C16-DC) Hexadecanedioic acid 0.8249 0.9715 0.9986 0.6313 2.1604 1.6227 0.8154 0.5365 0.3641 0.4242 0.8104 0.5156 0.7429 0.6383 0.6193 hexadecatrienoate (16:3n3) 7,10,13-Hexadecatrienoic acid 0.9041 1.6985 0.7987 0.6093 0.7410 2.1275 1.4944 0.7765 0.3087 0.4517 1.1202 0.8163 1.0218 0.6078 0.6984 hexadecenedioate (C16:1-DC) 1.0147 0.5346 1 0.3124 1.9554 1.4281 0.5699 0.3124 0.3175 0.7358 0.6560 0.4753 0.7229 0.3759 0.5458 hexanoylglycine Hexanoylglycine 0.3251 0.8409 0.6451 0.4668 0.6133 0.5908 0.1307 4.1573 0.6330 1.0110 2.7946 2.6475 1.5457 0.7991 1.3734 hippurate Hippuric acid 0.1045 2.8699 2.2944 1.8138 1.4963 2.2145 0.8146 0.9459 1.0545 1.1054 0.5793 0.7435 0.7910 1.0587 1.0541 histidine Histidine 1.2798 0.9990 1.3096 0.3868 0.7613 0.6644 0.2356 1.0496 1.2648 1.3226 1.0010 1.0269 1.0955 0.9849 0.9284 homovanillate sulfate Homovanillic acid 0.5219 1 1.3138 0.3523 1.2308 2.1047 0.3523 0.3523 0.3523 0.3523 0.7186 1.9970 0.3523 0.3523 0.3523 hydroquinone sulfate Quinol sulfate 2.2443 3.6913 1.6990 1.1969 1.2370 2.3254 0.9749 0.6447 1 0.9062 0.2650 0.6393 0.2364 1.0062 0.5485 hypoxanthine Hypoxanthine 1.0433 0.7346 0.0117 0.0117 0.0117 1.4216 1.2079 1.9384 1.7613 2.2004 0.0117 0.0117 0.0117 1.8667 1.9368 imidazole lactate Imidazolelactic acid 0.3474 0.1087 1.9821 0.4527 0.4806 1.1513 0.1087 1.4802 1.3897 1.3047 1.2332 1.0440 1.4072 1.7315 1.6767 indole-3-carboxylic acid Indole-3-carboxylic acid 0.9934 1.0295 1.0118 0.7028 1.1826 1.2572 1.1526 0.7483 0.6857 0.7573 0.5713 0.8078 0.7411 1.2170 1.6863 indoleacetate Indoleacetic acid 1.7488 1.3148 1.9925 0.5480 2.3045 1.0268 2.5246 0.4152 1.2622 1.3477 0.9769 0.8148 0.7903 1.0904 1.0231 indoleacetylglycine N-Indoleacetylglycine 1.2228 0.7648 1.3115 0.6285 0.8526 1.3024 1.1865 0.9427 2.0400 1.2650 1.4709 2.3023 1.3753 2.2870 2.3228 indoleacrylate Indoleacrylic acid 1.6894 2.1474 2.3794 0.7561 2.8540 1.9617 2.4736 0.5792 0.8996 0.7607 0.4263 0.3233 0.3418 0.6602 0.5937 indoxyl glucuronide Inodxyl glucuronide 0.5272 0.4358 0.6976 0.5323 0.6739 0.6441 0.7534 4.3032 7.0142 5.4963 3.2134 2.3669 1.8210 2.3686 2.5822 inosine Inosine 9.7834 5.1932 0.1750 0.5030 0.5531 14.8020 2.1967 19.2442 17.2927 21.6559 0.0079 0.0079 0.0083 2.4702 2.6467 isobutyrylglycine Isobutyrylglycine 1.3334 0.8507 0.6666 1.5540 5.6699 4.9405 0.1076 0.6736 0.9074 1.3889 0.1899 0.1787 0.2541 9.5583 8.3556 isocaproylglycine Isocaproylglycine 0.3675 0.4729 0.4447 0.3675 0.4316 0.3730 0.3675 1.7852 0.6996 0.8732 2.0454 2.3821 1.9675 0.6907 1.0588 isovalerate (i5:0) Isovaleric acid 0.8062 1.0966 0.5665 0.7332 2.3798 2.1094 0.2823 0.5219 0.7208 1.0712 0.1567 0.2134 0.1567 2.1784 2.8929 isovalerylglycine Isovalerylglycine 1.2985 1.7965 1.2007 0.8925 2.2151 1.8738 0.4229 0.5649 0.8083 0.8833 0.6895 1.3112 0.8874 2.7296 2.8118 kynurenate Kynurenic acid 1.4832 2.3261 1.9693 0.8099 0.7319 1.3953 1.0741 0.6969 1.8755 1.9973 1.1271 1.4806 1.4748 1.1078 2.1249 laurate (12:0) Lauric acid 1.0561 0.9895 0.7643 2.4205 2.6879 0.8276 1.8671 0.8512 0.6949 2.0193 0.7035 0.6278 0.6490 2.8747 2.3746 linoleate (18:2n6) Linoleic acid 0.9972 1.3427 0.9143 0.7462 0.9405 1.6907 0.7207 0.8969 0.6253 0.6672 0.9434 0.8892 1.0510 1.0068 1.0028 linolenate [alpha or gamma; (18:3n3 or 6)] Octadecatrienoic acid 1.1024 1.5405 1.0506 0.4439 0.7338 1.8677 0.5959 0.9281 0.6095 0.6727 0.9380 0.8663 1.0551 0.9371 0.9487 linoleoyl ethanolamide Linoleoyl-EA 0.7916 0.7911 0.7222 1.0065 1.0236 1.3345 1.6079 0.7317 0.6987 0.5134 0.5168 0.6568 0.7451 1.1429 1.3894 malate Malic acid 0.6019 1.0351 0.5990 0.9614 1.0580 1.6948 2.0450 0.7104 0.9593 0.9811 0.9722 0.9359 0.9524 1.0882 1.1005 margarate (17:0) Margaric acid 0.8570 1.2991 0.6986 0.7226 1.3045 1.5862 0.8675 0.9076 0.7758 0.7187 0.9184 0.8893 0.9720 1.3298 1.3295 mead acid (20:3n9) ETrE(5Z,8Z,11Z) 2.3864 1.1196 3.2122 0.5572 2.3633 2.0157 0.5268 0.3622 0.5791 0.5240 0.4291 0.3068 0.4141 0.8036 1.1256 methyl-4-hydroxybenzoate Methylparaben 0.0355 0.0426 0.0355 0.5863 0.0355 600.6135 0.0355 0.0355 0.0355 0.0355 3136.9055 2218.4753 2130.7917 1.7673 0.0355 methyl-4-hydroxybenzoate sulfate Methyl-4-hydroxybenzoate sulfate 0.5450 0.4743 0.9743 0.1190 0.2353 9.1301 0.4281 0.2238 0.4695 0.2555 2.4231 2.0518 12.3615 0.3618 0.1190 methyl glucopyranoside (alpha + beta) Methyl glucose 0.0258 0.0258 0.0258 0.0258 0.0258 0.0375 0.0258 1.0332 1.4910 1.2713 0.7179 0.8840 0.8689 1.0514 1.0093 myristate (14:0) Myristic acid 0.6141 0.7877 0.7207 0.7679 1.0862 1.2383 0.6886 0.8721 0.4058 0.5624 0.9705 0.7504 0.8504 0.7757 0.8893 myristoleate (14:1n5) Myristoleic acid 0.8199 0.9968 0.9494 1.1448 1.7014 1.6770 0.6495 0.9039 0.0981 0.1582 0.8744 0.4734 0.6464 0.2678 0.3078 N1-Methyl-2-pyridone-5-carboxamide N1-Methyl-2-pyridone-5-carboxamide 0.7049 0.8915 1.8045 1.3136 2.4912 2.5276 0.4489 0.7349 0.5488 0.4001 0.7072 0.7952 0.6184 0.6289 0.6072 N-(2-furoyl)glycine 2-Furoylglycine 1.2461 0.2672 0.7392 0.3977 1.0697 1.9425 2.2333 0.1632 1.2189 0.8528 0.7480 1.6483 1.2868 1.3392 0.8204 N2_N5-diacetylornithine N2,N5-Diacetylornithine 1.5330 1.6364 1.8145 1.2181 1.2203 1.2232 1.1966 0.6170 0.7589 0.7874 0.4842 0.6641 0.5837 0.9121 0.8302 N2_N6-diacetyllysine N,N'-Diacetyl-lysine 1.4147 1.2674 1.7038 0.7987 1.0306 1.5792 2.5786 0.6148 2.2778 2.0958 0.6822 0.8309 0.8662 1.5780 1.6902 N6-carbamoylthreonyladenosine N6-Carbamoyl-L-threonyladenosine 1.0035 0.8776 1.5085 1.5605 1.3489 1.0936 3.7233 0.9265 0.8701 0.7358 1.1289 1.1245 0.8630 1.0434 1.3026 N6-succinyladenosine Succinyladenosine 0.9589 2.7529 1.4358 0.5997 0.3346 1.8205 1.1352 1.7755 3.1293 2.4693 1.0342 1.2666 1.5770 0.4337 0.8926 N-acetyl-2-aminooctanoate N-Acetyl-2-aminooctanoic acid 0.9947 1.1064 1.8172 0.6904 0.4431 0.6006 0.9040 0.9549 1.2751 1.0053 0.9131 1.1786 1.1434 0.7042 1.0246 N-acetyl-beta-alanine N-Acetyl-beta-alanine 0.8342 0.9782 1.2249 1.3056 0.9123 0.7833 1.8388 1.6302 0.5868 0.5868 0.8638 0.9630 0.9274 0.8056 0.6384 N-acetylcarnosine N-Acetylcarnosine 0.3358 0.3358 0.3358 0.3358 0.3358 0.3358 0.3358 1.1726 1.2530 1.2564 1 1.4939 0.8068 1.1794 1.4186 N-acetylcitrulline N-Acetylcitrulline 1.9784 1.1224 2.4948 0.8161 1.3414 1.1566 0.8811 0.9295 2.4285 1.8954 0.7954 1.0042 1.0745 0.9932 0.9788 N-acetylhistidine N-Acetylhistidine 1.3683 0.6571 2.0127 1.0013 0.8742 0.9911 0.6751 0.7368 0.9337 0.9987 0.9290 1.2356 1.1476 0.6584 0.5860 N-acetylisoleucine N-Acetylisoleucine 2.4824 2.6242 2.2924 0.5599 1.2730 1.5509 1.3977 0.8012 1.1604 1.3174 0.8033 0.9755 0.7033 0.9831 1.1721 N-acetylkynurenine (2) N-Acetylkynurenine 1.8679 1.5727 2.7102 0.8274 0.5158 0.8220 0.8354 0.3702 1.2024 0.9324 0.5968 0.8427 0.9267 0.4965 0.8287 N-acetylleucine N-Acetylleucine 4.1311 3.7547 3.4055 0.4161 0.6723 1.2309 1.1316 0.9641 2.0159 2.4416 0.7347 1.0251 0.8726 0.9749 1.0475 N-acetylmethionine N-Acetylmethionine 1.5432 1.5351 1.2378 0.2439 0.3719 0.9408 1.5614 1.8104 2.8936 2.6556 0.9379 1.0666 1.1207 1.4427 1.8536 N-acetylmethionine sulfoxide N-Acetylmethionine sulfoxide 1.7663 1.1555 1.8336 0.7040 1.3103 2.8426 4.3352 0.8522 5.2493 2.7114 0.5924 0.7354 0.9704 3.0114 2.2463 N-acetylphenylalanine N-Acetylphenylalanine 1.0006 1.2727 1.1751 0.6470 0.9660 1.4164 1.1738 0.5558 0.8817 0.9023 0.5310 0.9325 0.7561 0.8400 0.8628 N-acetylpyrraline Dehydroepiandrosterone 0.8659 0.3981 0.5584 0.9768 1.1522 2.4281 2.9082 0.4121 7.5645 6.9841 0.9651 1.5335 2.3009 3.9134 2.9189 N-acetyltaurine N-Acetyltaurine 0.9551 0.8773 0.8070 0.7596 0.6605 1.9386 0.9329 1.0351 1.1902 1.5314 1.0111 1.3939 1.0550 1.0184 0.9031 N-acetylthreonine N-Acetylthreonine 1.2770 0.6984 1.2760 0.7846 1.2200 1.2043 1.6502 0.7969 1.6097 1.5476 0.9361 1.0740 1.3642 2.0485 2.1774 N-acetyltryptophan N-Acetyl-tryptophan 1.2880 1.7835 1.7585 0.7101 1.0996 1.1889 1.4571 0.8394 1.0702 1.1751 0.5246 0.8710 0.6818 0.9573 1.2057 N-acetyltyrosine N-Acetyltyrosine 0.4233 0.6506 0.9567 0.2485 0.4304 1.1201 1.2834 0.7383 1.1497 1.1297 0.6823 1.9992 1.2468 1.4315 1.5663 N-acetylvaline N-Acetylvaline 2.5085 2.4455 2.1424 0.7979 1.5095 1.9758 1.6022 0.9856 1.4736 1.7799 0.9257 0.9249 0.8842 1.4302 1.2315 N-delta-acetylornithine N(5)-Acetyl-ornithine 1.3775 1.0525 1.2696 1.0466 1.3690 1.0251 1.2116 0.3348 0.7944 0.8004 0.3542 0.4516 0.5179 1.5118 1.2811 N-formylmethionine N-Formylmethionine 0.9114 0.9034 0.8906 0.7945 1.2852 1.9184 1.8099 1.6756 1.9047 1.8380 0.9745 1.1468 1.1168 6.3464 4.6446 N-formylphenylalanine N-Formylphenylalanine 0.9788 0.5881 0.5850 2.0101 5.3099 6.0080 0.4012 0.9799 1.0201 1.0868 0.2167 0.2372 0.2589 11.4396 9.7529 nisinate (24:6n3) THA 1.0504 0.9956 1.0236 0.5072 1.3105 1.3501 1.0836 0.5319 0.6410 0.5981 0.7732 0.4632 0.7434 1.9921 2.0821 N-linoleoyltaurine N-Linoleoyl taurine 0.8463 1.1045 0.6838 0.9034 1.0021 1.4710 1.0627 0.8339 0.5243 0.5771 0.6330 0.6213 0.8300 1.0431 0.9013 N-octanoylglycine Capryloylglycine 0.2089 0.3176 0.2089 0.2089 0.2089 0.2089 0.2089 2.9501 0.2089 0.2821 1.2241 1 0.5002 0.2714 0.7199 N-oleoyltaurine N-Oleoyl taurine 1.1146 0.9902 1.0748 1.1548 1.7003 1.5087 0.8135 0.4465 0.2493 0.2162 0.4444 0.4024 0.3852 0.5161 0.4373 nonadecanoate (19:0) Nonadecylic acid 0.7659 1.0229 0.5652 0.5287 0.9224 1.0043 0.7526 1.3377 1.4311 1.1801 1.0604 1.1440 1.1920 2.1846 1.9218 N-palmitoyltaurine N-Palmitoyl taurine 0.8688 0.9500 0.3909 1.2039 1.2900 1.5140 0.8437 0.5840 0.4867 0.4098 0.4899 0.7761 0.5065 1.1457 1 N-stearoyltaurine N-Stearoyl taurine 1.4197 1.0522 1.1040 1.1758 1.2090 1.5704 1.5682 0.8529 1.1152 0.9266 0.8229 0.7594 0.7187 1.4094 1.5823 o-cresol sulfate o-Cresol sulfate 0.3591 0.3591 0.3591 0.3591 0.4608 0.5412 0.3591 0.3591 0.3591 0.3591 1.0813 2.0853 1 0.3591 0.3591 octadecadienedioate (C18:2-DC) Octadecanedioic acid 0.8965 0.8326 1.1090 0.3464 1.9038 1.3624 1.1022 0.6036 0.4025 0.4031 0.6894 0.4263 0.6265 0.8879 0.6125 octadecanedioate (C18-DC) Octadecanedioic acid 0.5270 1.3393 0.9399 0.7003 1.6904 1.4239 0.6396 0.6651 0.6390 0.7323 0.7933 0.6777 0.8756 0.8146 0.6465 octadecenedioate (C18:1-DC) 0.6923 0.7133 0.4756 0.2220 1.4632 1.2719 0.5694 0.2190 0.2910 0.3609 0.7569 0.6345 0.6761 0.5941 0.5066 oleate/vaccenate (18:1) Oleic acid 1.1545 1.3341 1.2456 0.7954 1.4812 1.9886 0.5477 0.6834 0.4247 0.4616 0.7099 0.6015 0.7275 0.6410 0.7448 ophthalmate Ophthalmic acid 0.1447 0.1672 0.1447 1.2201 0.1447 1.0557 0.1447 0.9761 0.4122 0.4037 1.4533 1.5869 2.2066 1.2526 1.1674 O-sulfo-L-tyrosine Sulfotyrosine 0.5195 0.8183 1.2293 1.1625 2.3441 11.1253 1.6077 0.7546 0.7679 0.6239 0.4498 0.5324 0.5689 1.0588 2.2527 oxalate (ethanedioate) Oxalic acid 1.5930 1.0822 1.2681 1.4786 0.7485 1.1593 1.0476 0.8846 0.9524 1.0491 0.7050 0.6357 0.8399 0.6828 0.8566 palmitate (16:0) Palmitic acid 0.9626 1.0098 0.9327 0.8244 1.1754 1.3727 0.7725 0.8150 0.6885 0.6707 0.8912 0.8101 0.8983 0.9595 1.0905 palmitoleate (16:1n7) Palmitoleic acid 0.9098 0.8909 1.1546 0.5722 1.2116 1.7476 0.3046 0.6792 0.1820 0.2587 0.7770 0.4595 0.6998 0.3679 0.5268 pantothenate Pantothenic acid 1.6451 1.5294 1.4911 1.2066 1.0359 1.3724 1.5232 0.8737 1.0518 0.8829 0.4484 0.5041 0.5364 0.8342 0.8107 p-cresol-glucuronide P-Cresol glucuronide 0.5840 0.3559 0.3770 1.0013 1.2455 1.0260 0.7045 1.2921 2.1443 1.0651 0.7776 1.4560 1.2132 0.2688 0.2673 p-cresol sulfate p-Cresol sulfate 0.7071 0.6769 0.5822 0.7728 1.9008 0.9654 1.0142 1.0654 1.3992 0.9800 0.6417 1.2820 0.8629 0.3672 0.2339 pentadecanoate (15:0) Pentadecylic acid 0.8778 0.9613 0.7902 0.7683 0.9142 1.1184 0.9056 0.9339 0.8467 0.8472 1.0278 0.9883 1.0011 0.9989 1.0381 phenol glucuronide Phenyl glucuronide 0.8634 0.3444 0.9861 0.5912 0.2262 0.7604 0.3869 0.5441 0.7400 0.4377 1.4915 1.4218 1.1668 1.1087 1.9045 phenol sulfate Phenyl hydrogen sulfate 0.6829 0.5354 0.8646 0.4046 0.6028 0.7243 0.7242 0.4044 0.5308 0.3740 0.8110 1.0051 0.6660 0.7955 0.9949 phenylacetate Phenyl acetate 0.9624 0.7232 0.6411 1.0498 2.2235 0.9700 1.5956 0.1287 0.5153 0.3820 0.2040 0.2747 0.1924 0.1949 0.1829 phenylacetylglutamate N-Phenylacetylglutamic acid 0.5619 0.2950 0.2535 1.1654 1.9280 0.2535 1.9280 0.2535 0.2535 0.2535 0.2535 0.2535 0.2535 0.2535 0.2535 phenyllactate (PLA) Phenyllactic acid 0.9463 0.9444 1.1362 0.2935 1.6557 1.1683 1.0847 0.5082 0.8562 0.6824 0.4484 0.6518 0.6158 0.7659 0.7183 phenylpropionylglycine Phenylpropionylglycine 0.0884 1.7958 0.7072 0.1511 0.4342 0.5821 0.0884 3.8419 3.2205 3.5639 2.2479 2.0963 2.8425 2.3718 5.8735 phenylpyruvate Phenylpyruvic acid 1.1564 1.7545 2.2191 0.5804 1.4063 1.5049 1.7971 0.6426 1.5473 1.3743 0.9820 0.7134 0.9743 1.1077 1.2367 phosphoenolpyruvate (PEP) Phosphoenolpyruvic acid 0.7481 1.7236 0.4229 0.7964 0.2015 7.8089 0.7489 0.6187 0.4089 0.8881 7.7489 8.2686 15.3974 0.4030 1.1119 p-hydroxybenzaldehyde 4-Hydroxybenzaldehyde 2.5608 3.3776 2.9461 0.3868 0.2507 1.6679 0.2507 1.3673 2.1568 2.4195 0.4299 0.2507 0.2507 0.7551 0.7782 propionylglycine Propionylglycine 1 0.9451 0.9530 0.5806 0.2612 0.5012 0.7828 1.2169 2.5255 2.6764 1.5668 1.6766 1.4450 1.4120 1.6100 propyl 4-hydroxybenzoate Propylparaben 0.0041 0.0041 0.0041 0.0085 0.0041 1.9806 0.0041 0.0041 0.0041 0.0041 80.9631 54.6166 50.2794 0.0113 0.0041 pseudouridine Pseudouridine 0.9962 0.9426 1.5529 1.2996 1.1467 0.8670 2.5208 1.1352 1.0199 0.9097 0.9806 1.0437 0.8987 1.0067 1.0699 pyridoxate 4-Pyridoxic acid 1.3445 1.2061 0.9740 2.0544 2.5274 2.1636 1.0745 0.5419 0.5756 0.5392 0.5383 0.4262 1.0556 0.8500 pyrraline Pyrraline 0.6169 0.1722 0.4570 1.0032 0.8963 1.5078 1.7969 0.6133 8.6265 6.7524 1.3796 2.0007 3.2415 6.3490 4.4044 riboflavin (Vitamin B2) Riboflavin 1.1442 1.3768 1.4472 0.6834 0.6953 1.3874 2.5935 0.9534 1.3278 1.1610 0.7928 0.7627 1.0456 1.3124 0.9897 S-(3-hydroxypropyl)mercapturic acid (HPMA) N-Acetyl-S-(3-hydroxypropyl)-cysteine 0.8930 0.9580 1.2364 0.3947 0.4976 0.6829 1.0167 2.4939 2.7504 2.3549 1.5265 1.9676 1.0720 2.1712 2.1388 S-adenosylhomocysteine (SAH) S-Adenosylhomocysteine 0.4710 0.3763 0.2022 0.2022 0.2022 0.2022 0.2022 1.3909 2.1019 2.1720 0.2507 0.2022 0.4086 1.0438 1.3127 sebacate (C10-DC) Sebacic acid 0.9372 1.4655 0.9980 0.8085 1.8096 1.4198 1.0144 0.4510 0.3897 0.5988 0.8776 0.6360 0.7858 0.7985 0.6399 sedoheptulose-7-phosphate Sedoheptulose 7-phosphate 3.8382 4.3466 2.3069 0.3559 0.1433 6.1322 0.2147 3.5214 3.3243 4.2568 0.6524 0.6824 1.2635 0.3266 0.9575 S-methylcysteine Methylcysteine 1.6965 0.5547 1.0922 0.9256 1.9949 0.5359 1.2475 0.4866 0.4685 0.5782 0.7041 0.6007 0.3452 0.5624 0.5071 S-methylglutathione S-Methylglutathione 1.0935 0.9741 1.3672 2.2113 1.8144 4.1728 0.7127 0.0698 0.3156 0.2715 1.0221 0.7681 0.9779 1.0353 0.8856 stearate (18:0) Stearic acid 0.9434 1.1925 0.9374 1.0978 1.3800 1.4294 0.9930 0.8239 0.7838 0.7416 0.8874 0.8323 0.8135 1.0127 1.0676 stearidonate (18:4n3) Stearidonic acid 1.0990 1.4620 0.6288 0.8145 0.5940 1.3599 0.9868 1.1555 0.9327 1.2251 1.2796 0.8769 1.0071 1.8604 2.0552 suberate (C8-DC) Suberic acid 0.8547 1.3015 1.4278 0.7462 1.1976 1.1632 0.9703 0.5864 0.3366 0.6008 0.5699 0.8917 0.3366 1.0014 0.7788 sulfate Sulfate 1.0696 1.0719 1.3512 1.5775 0.9010 0.9023 1.0709 1.1534 1.1699 1.1048 0.8644 0.7703 0.7806 1.1925 1.2079 tartronate (hydroxymalonate) Hydroxypropanedioic acid 1.6866 1.4714 1.6294 1.7406 0.7954 0.7094 0.4921 1.0148 1.0302 0.9567 0.4536 0.4453 0.4257 0.8398 0.9852 tauro-beta-muricholate Tauro-beta-muricholic acid 3.8094 1.0250 9.5861 0.5296 2.3720 1.9954 4.0766 0.2410 0.6482 1.3977 0.7543 1.5805 0.6352 0.6439 0.4308 taurochenodeoxycholate Taurochenodeoxycholic acid 10.0904 0.9108 14.3645 0.3332 2.6581 2.4064 1.7082 0.8834 1.3128 2.2113 0.7072 1.1081 0.7275 0.4792 0.4610 taurocholate Taurocholic acid 1.9444 1.1482 4.5120 0.9976 9.6373 4.6922 4.1456 0.1081 0.3073 0.4837 0.3404 0.9788 0.3334 0.1397 0.1187 taurodeoxycholate Taurodeoxycholic acid 1.9794 1.0868 0.9606 0.3496 3.4840 1.6473 1.4683 0.5688 0.2761 0.3731 0.1437 0.6038 0.3382 0.1292 0.1118 taurohyodeoxycholic acid Taurohyodeoxycholic acid 4.2389 0.7557 1.5200 0.6945 4.9186 0.9877 5.3605 0.5614 1.5608 2.6200 0.2112 1.1176 0.6859 0.9543 0.2230 tauroursodeoxycholate Tauroursodeoxycholic acid 2.3660 0.6053 3.1648 0.4127 1.2714 1.4579 0.5112 0.4852 1.4207 1.9827 1.0019 1.2409 1.5159 0.7413 0.6177 tetradecanedioate (C14-DC) Tetradecanedioic acid 0.7521 0.8258 0.9787 0.5563 1.7878 1.4736 0.6607 0.5759 0.4333 0.4581 0.8977 0.5713 0.7745 0.6059 0.6037 thymidine Thymidine 0.9138 0.5457 0.6787 1.3014 0.4982 0.4407 4.8333 1.0899 1.1029 0.9458 1.6463 1.5572 1.6912 1.6785 1.6158 thymine Thymine 0.8950 0.6402 1.3388 2.2351 1.1699 1.8053 8.2042 0.8478 0.9960 0.7637 1.0338 1.0677 0.8990 1.4481 1.5834 thyroxine Thyroxine 0.5115 0.6703 0.6111 0.4706 1.1084 0.9664 1.1744 0.9545 0.9874 0.8271 1.0886 1.1094 0.9086 0.9843 1.6407 trans-2-hexenoylglycine 0.3574 0.3574 0.3574 0.3574 0.3574 0.3574 0.3574 1.7158 0.6046 0.4965 1.2760 1.5737 0.7609 0.3574 0.3574 undecanedioate (C11-DC) Undecanedioic acid 0.9365 1.2735 0.9523 0.9917 0.9187 1.1818 1.0656 0.9223 0.8521 1.1147 0.4766 0.5306 0.4943 1.0709 1.0066 urate Uric acid 1.6204 1.3373 1.7100 1.3373 1.7905 2.0441 1.5512 0.7586 0.7507 0.6846 0.3671 0.3125 0.4647 0.8833 0.8376 uridine Uridine 1.4115 0.9439 0.9893 0.7725 0.9454 1.5906 4.7402 1.1229 1.2132 1.1943 0.9599 0.9591 1.0412 0.9454 1.2573 ursocholate Ursocholic acid 0.4362 0.1238 0.1238 0.1238 2.5715 0.1238 2.0930 0.1238 0.1238 0.1238 0.1238 0.2106 0.1238 0.1238 0.1238 ursodeoxycholate Ursodeoxycholic acid 0.1138 0.1138 0.1138 0.1138 1.3740 0.2741 0.7602 0.1138 0.6658 0.7431 0.7420 0.4456 0.9213 0.1138 0.4960 xanthine Xanthine 3.3847 2.8113 0.0024 0.0019 0.0006 3.0839 3.1073 3.0575 3.0585 3.0729 0.0048 0.0042 0.0679 4.0626 4.2111 xanthosine Xanthosine 0.6754 0.4448 0.4220 1.4522 2.5931 4.2855 1.6160 0.4927 0.2849 0.3331 0.0404 0.0128 0.0344 3.5359 3.4453 xanthurenate Xanthurenic acid 1.3414 1.5936 1.2967 0.2067 0.3150 0.2067 0.7960 1.3627 4.0146 3.8765 1.5657 1.7811 1.9109 1.1594 2.6905