Metabolite_name RefMet_name 10177 10180 10191 10279 10575 10762 10811 10877 10896 11089 10022 10037 10240 10263 10405 10458 10504 10562 10603 10705 10793 10836 10884 10915 10956 11021 11041 11073 11080 11122 20014 20112 20117 20136 20185 20276 20292 20316 20378 20461 20481 20497 20522 20630 20631 20644 20653 20672 20648 20654 40554 40593 20184 20539 40001 40017 40040 40066 40177 40180 40229 40280 40487 40521 40535 40571 40673 40701 40014 40244 40437 40511 40539 40555 40595 40626 40691 40716 40720 40455 40635 50160 50520 50315 50425 Factors - collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:0 | PUCAI_C3_WKall:mild collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:0 | PUCAI_C3_WKall:moderate/severe collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:inactive collectionWeek:12 | PUCAI_C3_WKall:mild collectionWeek:12 | PUCAI_C3_WKall:mild collectionWeek:12 | PUCAI_C3_WKall:mild collectionWeek:12 | PUCAI_C3_WKall:mild collectionWeek:12 | PUCAI_C3_WKall:moderate/severe collectionWeek:12 | PUCAI_C3_WKall:moderate/severe collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:inactive collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:mild collectionWeek:4 | PUCAI_C3_WKall:moderate/severe collectionWeek:4 | PUCAI_C3_WKall:moderate/severe collectionWeek:52 | PUCAI_C3_WKall:inactive collectionWeek:52 | PUCAI_C3_WKall:inactive collectionWeek:52 | PUCAI_C3_WKall:moderate/severe collectionWeek:52 | PUCAI_C3_WKall:moderate/severe 10-HDoHE 10-HDoHE 784 3669 9376 1037 1404 494 1665 796 628 104492 1785 1636 31356 2856 3905 827 24518 3300 6642 2287 1567 66741 1864 8732 572 1426 663 3888 11815 315 357 3214 322 955 368 949 6650 1340 181 214 5543 298 84 308 21865 1373 665 188 85 931 799 320 1075 1766 1476 409 563 1810 3988 1863 10360 6516 163 2606 1420 481 462 75 1187 1032 710 2513 159 836 9027 3101 3080 75664 37112 3874 505 33342 10-Hydroxystearic Acid 29313 69933 31951 40826 20226 37294 34021 35577 22842 27227 30604 28260 19323 27811 29296 19727 21347 22936 21026 24315 26135 30207 22518 44172 22024 19579 16826 21616 29470 26607 23415 25587 27236 20462 51916 19894 51151 21603 33093 27752 23022 36922 26546 18836 23858 15116 27696 19946 26128 21309 26585 16958 16820 37544 21321 71935 23838 19979 36860 21532 29797 30775 26750 62775 24939 23370 19041 18576 40192 29126 24739 32446 55843 29076 18403 27966 31206 19469 26313 32599 27035 28754 23518 21047 21411 10Z-Heptadecenoic acid 10Z-Heptadecenoic acid 573963 640170 619033 976845 344449 498451 227795 649744 208420 569363 313504 528438 214870 257211 162794 321376 183690 378674 665885 345656 349994 413453 308774 278122 346584 168929 44295 391013 321445 231163 146492 194094 82715 242580 210348 90102 872203 119502 88795 281208 65263 207829 111831 138862 144798 68088 375630 217073 177874 218158 144883 48920 40667 90767 103029 143813 84199 121569 119826 85452 128083 70382 122044 913581 156834 68578 39379 175232 561430 210954 80525 734190 193395 612990 83276 127402 267903 273109 321149 234964 296696 423552 217796 406550 177633 11-HDoHE 11-HDoHE 4924 19041 66653 24458 8334 30841 23938 10758 426957 3270 35803 106922 10395 16768 19273 146888 11428 74900 6134 28766 207587 43172 67649 45295 30047 4129 36048 89580 16450 1855 45277 28995 75338 14525 79475 41417 7037 27591 43294 14060 23505 59652 88954 55825 22159 19798 30425 17902 2485 14453 19275 35636 14261 13713 49104 43519 85495 14416 25549 5732 8282 88262 4368 58977 2526 11748 31396 26611 394356 221446 28088 149355 11-HETE 11-HETE 22505 39605 24956 63188 9494 46310 18993 17951 369856 77855 23194 115646 13661 27620 11689 153958 15968 57579 120489 26651 39529 9564 8329 43613 6308 5859 7891 17988 16554 16972 109392 18398 4758 21209 23560 60063 12861 7878 29604 88973 41000 15256 24407 5139 19438 50986 6078 22892 11633 20094 23911 52322 22232 27647 12525 127759 24095 67872 8365 34198 2787 14662 28279 73388 52326 19415 1030543 102638 34851 8499 174556 12_13-diHOME 12,13-DiHOME 12901 128891 26341 20791 7257 81963 22423 28685 49122 17215 39059 18599 22331 10812 34594 34684 7137 16733 8004 16296 80439 38287 8551 112657 21337 14723 8919 39168 14945 133825 18050 19922 20025 20213 33557 15746 33140 38867 24616 24491 16752 23859 18103 9253 11327 10329 14314 15844 21713 10366 25330 22376 7149 18485 26863 16582 19922 13493 41295 14215 24861 19751 22659 16454 24561 16485 16105 13427 17787 47606 11359 17656 38604 15811 21641 24083 17255 11295 21407 49665 22514 61931 19647 12880 17262 12-HEPE 12-HEPE 310 1168 208 180 138 74 49 22502 100 2573 117 525 74 2231 79 662 5026 1137 49 198 1200 132 89 1545 1642 2446 55 130 907 583 1487 585 2932 1377 150 178 534 244 615 1092 1339 364 29168 11750 884 7866 12-HETE 12-HETE 3243 29084 33556 8094 10837 4587 5745 15558 10312 1045119 63446 5873 284761 14385 38846 5182 132547 14879 34923 8312 9306 311040 11350 66143 7415 7613 3680 28459 67971 2698 17063 42687 7633 3097 4319 8513 99230 3390 6658 4676 3233 65996 7533 2724 2823 117282 16743 15556 2459 5396 6080 8469 3317 14252 55550 14615 6720 5938 22721 22073 31046 54361 52773 5538 33270 2963 14206 14860 5494 2008 8226 7197 18212 17546 1456 2921 25557 75226 39139 2290262 441517 27228 5773 246199 2277 13-HODE 13-HODE 19825 111849 28411 28226 6466 23862 55225 18248 19380 51776 22656 84106 18818 18482 15002 10283 20854 12056 12426 27389 17501 32089 16594 30881 15879 18555 6507 17639 23181 14303 11329 16547 11424 19409 20929 17244 36600 60267 11893 74630 13365 16911 13521 6570 9387 16353 10864 8298 13209 8442 21210 14906 6928 12039 14934 9082 23139 9119 24654 11171 12818 14673 16717 10644 16031 10538 8504 18537 11784 38010 13909 13905 19326 11995 27672 20437 20170 10651 14675 87155 27402 17583 12238 41987 10820 15-HETE 15-HETE 542 5196 2151 1699 437 899 597 1163 386 18131 1004 620 5026 943 1469 953 4412 905 1955 525 1038 4067 1550 2257 786 4924 729 526 3546 228 675 711 868 397 415 476 3165 288 550 674 417 2146 642 288 1044 3786 1167 678 414 683 289 283 628 446 883 871 346 1114 1322 1121 590 1807 1944 579 1079 598 535 1947 703 2173 794 874 922 627 280 577 1235 1571 979 42627 4465 991 426 8563 345 15R-15-methyl PGA2 [iSTD] 225025 208639 201490 210327 201035 195153 213540 200725 206894 204348 209890 214683 201841 201591 216934 199228 201613 198589 194599 195019 209383 207716 196887 202249 201899 207536 185572 192631 207346 193472 210161 198299 200523 181010 201387 193538 196169 200267 198011 201515 204345 199291 199976 191385 202639 176265 196799 201944 186514 191028 197160 205168 199779 195917 200334 190516 189242 194259 202223 194881 191695 203218 189750 197437 195700 210083 201286 197559 201823 205640 202189 201419 193394 203627 194500 204526 194467 195261 204643 204390 195683 208715 199539 190954 210495 15R-15-methyl PGF2a [iSTD] 308602 282012 277298 280281 291373 260830 289714 275338 277450 269565 297020 277593 273469 266881 309021 282970 284540 262760 279717 264431 270669 287475 247466 240363 281756 274826 251375 276939 268802 256851 273917 267921 279898 259269 283855 281825 258455 275495 285174 269902 288720 281146 261380 265850 269735 286733 280776 290321 274340 272160 271793 260242 272296 262223 266715 269476 259797 255155 278595 252831 271775 267930 256687 252374 274478 266364 271490 272112 269115 274971 278928 269338 262375 259947 267730 258419 276744 275357 285494 283573 261262 263209 276892 270183 266382 15S-15-methyl PGD2 [iSTD] 100279 97692 94917 97317 97868 89263 93882 99407 97857 91107 95573 95054 88992 93828 100067 93805 92035 92966 91702 91114 99843 96313 90934 91825 98441 95810 90032 95352 93512 95656 93517 99240 95584 88369 96889 92007 90993 94017 90085 93598 106997 94839 89241 91815 91199 92329 87151 97438 90266 91449 92619 91781 90093 91228 90941 94523 88084 87712 90686 90383 89936 90100 88151 91266 103649 94299 96383 90482 91251 93975 92633 88721 91650 92986 91080 91303 91840 91907 94918 96357 87672 93436 91105 88892 88663 15S-15-methyl PGE1 [iSTD] 67829 64585 63168 61845 62804 54659 62924 62306 64130 59078 63644 65894 56549 59661 66757 60124 60870 58931 60395 57794 65248 61825 56483 55746 67223 57190 56603 61117 59884 59067 60470 64002 60103 55046 59785 60273 55149 60444 61698 58597 62299 65554 58050 58712 59890 60286 57926 62910 58639 56968 55717 59147 55631 58401 57228 63038 54306 58133 61075 56593 60536 55435 54781 57789 61618 56148 62722 59869 62206 57554 57646 60884 55209 58855 54360 58284 59841 58351 63308 61890 57218 59960 62791 59257 60604 15S-15-methyl PGE2 [iSTD] 238091 225987 201923 223642 213687 207001 221085 210481 212518 212985 224941 229201 204517 208752 239337 208572 212818 203825 211419 209153 205753 224031 203477 207796 211940 218536 204108 205696 224840 211207 231273 214750 219997 198203 218577 213508 209001 231392 209761 213720 211114 209127 207549 203656 221542 211650 209728 223823 201769 205478 209581 217015 204614 214099 226813 211520 196281 200518 213226 211458 206187 209103 201982 210902 203826 216303 209766 206312 217594 215677 213205 222407 208681 220154 203454 208568 209897 209664 221463 217162 210989 225225 212274 211041 220696 17-Methylstearate Xi-17-Methyloctadecanoic acid 40361 61085 54704 50971 17157 26191 26809 33358 26162 32482 22767 29960 39232 25997 9158 21243 17059 27845 33077 28535 22240 36570 13020 19512 30476 12019 7343 23896 16864 17927 12363 9776 10018 12832 22813 5734 32914 16908 10510 19705 8503 20294 12692 13154 9881 5760 19280 16456 18020 16767 6971 3579 5005 10509 14139 8939 13345 17896 16031 7681 10612 8630 13858 72737 16755 6930 6117 7978 22160 16097 7641 38686 11364 28978 8115 13812 27029 24177 27250 21216 22085 39135 24725 23849 19232 2-Aminooctanoic acid 2-Aminocaprylic acid 2469 1151 643 909 2326 936 1237 2132 2017 530 2178 324 390 422 1048 2200 384 443 1043 584 539 747 259 517 1781 1311 737 739 1307 1073 2162 1225 1901 1545 2941 6301 1406 777 490 2189 2785 1911 2140 1538 1444 1300 2760 2350 891 1930 1826 2636 2534 3494 1019 1471 2544 722 2393 391 795 659 913 1378 2755 921 2638 1027 2076 1163 1209 1610 833 618 3017 583 1669 1963 1258 1381 1027 2016 1939 1148 341 2-Hydroxyibuprofen 2-Hydroxyibuprofen 22 19 276 13 527 130 86 9 37 11 1555 48 479 13 123 124 142 216936 12 16 148 19 31 9729 2-Hydroxymyristic acid 2-Hydroxymyristic acid 5892 8682 6383 7506 4296 10625 8043 6475 6563 8178 3954 11088 3786 5452 3622 4485 8146 4049 6646 6517 5476 5613 7729 4602 7218 4895 4473 5237 4227 7481 4302 5004 5210 6319 8979 4618 8489 4255 5725 5922 5764 7983 4488 3996 4400 3965 7820 6372 4805 5869 4874 3102 3339 4204 5003 5954 4893 5222 5887 4580 5608 4277 8668 9473 6289 3601 5139 3955 5520 7571 3660 5684 5647 3476 4866 4057 5860 6738 6096 5769 5204 5051 6619 4170 6517 2-Hydroxyoctanoic acid 2-Hydroxyoctanoic acid 8069 7132 3966 7698 7119 6344 14059 9189 7407 5773 24588 5161 3982 6063 10199 14487 3317 2886 8391 3428 14529 7589 7255 5690 9745 7917 8223 6246 9169 12049 17412 9832 19924 12568 36746 39780 17060 13020 8762 14174 19120 10340 16556 12760 12797 7791 20656 14544 16535 18174 25603 18690 12643 25016 12746 48347 24522 6518 29598 5769 10294 9076 14138 9468 26296 10800 14022 7925 10933 18782 9934 13616 23637 7710 19500 6340 12812 15811 13792 26186 15846 20509 10185 7187 5879 2-Hydroxy palmitic acid 2-Hydroxypalmitic acid 188719 270653 166803 207707 125216 255538 255145 186157 196979 206274 118555 217346 107309 128002 119008 119735 178598 86509 190076 156467 154242 180835 246068 159798 245239 174310 101010 166624 214243 161078 143839 146310 158694 193212 211021 147350 224851 127619 167315 186556 157583 230751 146197 122630 164775 108811 266752 246533 128950 186820 170360 116813 76724 164021 131478 173245 149356 134307 168791 146560 162480 103407 217487 259280 161011 112102 145721 140213 154050 181279 104647 218687 166075 169748 136128 117232 187423 212511 191992 218149 156126 164015 170757 117240 169058 3-Hydroxydecanoic acid 3-Hydroxydecanoic acid 21181 23304 25184 31854 10230 12406 21727 14171 9569 16301 22197 21438 12798 5919 5158 13985 15142 9139 37063 24374 32428 11970 43682 16374 17274 20836 6608 21253 42135 7134 6697 11831 7475 14821 15550 8818 22871 7347 11952 7481 6850 7631 5320 9580 5840 2286 23172 15816 6528 12351 5717 6929 3373 10516 5248 12450 7043 4726 15702 6757 8375 5485 9290 28569 10172 9829 3761 9257 20072 11368 5878 16455 13524 21041 7561 4453 9867 16871 5875 12859 27979 29328 15831 12182 8594 3-Hydroxyoctanoic acid 3-Hydroxyoctanoic acid 10078 10221 6570 28418 3002 5001 7592 7315 3665 7396 13951 6791 6654 1838 1711 5966 5238 4010 12594 16059 19458 7635 15207 7069 7134 5816 3368 9379 14786 3645 5668 8779 4831 6607 13565 9855 13911 4651 6026 5331 7510 4885 4026 4550 3136 2043 14604 6713 3661 4830 4925 6531 1855 8576 2750 5644 7098 2167 15847 3302 3976 3183 6697 10648 6521 7269 3837 5162 10011 5501 3504 4982 8626 8284 6364 2481 6136 8470 2229 5692 9009 9690 13044 5917 4080 3-Methyladipic acid 3-Methyladipic acid 666667 672549 419229 1039796 317189 481799 305693 593807 383443 692027 602646 553827 597321 288805 398237 380929 379004 383730 345747 1113573 466983 633854 761420 805400 527024 338958 292937 758008 683613 388192 387313 298952 332197 275052 1244666 492527 712449 350577 526495 631230 199256 237015 347234 333271 185399 213327 300704 211477 537519 175115 798488 351338 359073 469237 379106 440293 414790 347445 859774 621913 400026 765593 432227 597744 470712 441312 317701 169455 399266 439291 340418 371464 1259040 705064 396445 471027 476481 263404 209679 721977 232447 304370 149100 371104 217596 3S-Hydroxyhexanoic acid 3S-Hydroxyhexanoic acid 7319 7341 5840 21574 2692 3590 6345 10298 4036 8248 11352 5601 10445 1799 1685 6866 4828 7887 8198 11214 15241 7323 14558 4789 9084 7542 1703 10482 11057 4950 3041 5727 3043 4213 4686 3305 7799 2678 2362 3238 3806 2936 1861 2802 1943 1490 6408 4732 1900 2388 3638 2107 1611 5086 2620 3659 3193 1933 3563 2563 3083 2068 3278 7853 2974 7218 3202 4104 6498 3343 2652 2675 8404 4733 1925 2767 3832 3855 1915 4398 6196 5391 5398 4863 3248 4_7_10_13_16-Docosapentaenoic acid 4,7,10,13,16-Docosapentaenoic acid 643492 328485 441924 250911 107412 471513 290395 148725 148029 395947 507231 780853 102305 220823 89396 102156 121055 183257 209648 124037 98821 305697 115337 152025 69220 82414 23692 135785 147428 73793 50852 94589 82182 212814 94682 110631 181683 100363 40994 156944 113997 137777 227597 57697 97337 288891 132377 61015 117041 81410 77026 63098 23764 48015 42539 99965 61141 79185 63839 96447 33543 51475 119769 171967 164674 48748 55642 270604 193630 125453 54401 247290 42886 348059 93866 147684 370762 81381 48876 289684 353702 270945 125197 442512 129728 5-Dodecenoic acid 5-Dodecenoic acid 10003 16516 10683 22820 7401 13484 9120 9645 4351 14188 6778 16154 3178 4291 2105 9550 12605 5909 19987 14063 11513 8935 23857 7796 9844 19450 1564 10846 20586 5927 3296 4364 2429 7620 4609 1658 20030 1026 1619 5488 418 3466 2418 5725 3021 382 12560 10601 2360 9973 3646 567 1097 2177 1679 2684 1692 2496 2332 1837 1533 873 1968 24539 3538 1460 400 3973 14028 5404 2782 30880 5198 25421 1439 1029 2808 10840 4287 3707 18635 10093 4761 6113 4583 7-Ketodeoxycholic acid 7-Ketodeoxycholic acid 140487 289064 7584 34418 19575 25222 71425 19841 35099 58346 3803 5776 55066 51401 55892 22071 145866 258785 130242 297673 147838 65583 5831 59784 25453 331412 44688 11962 6292 191626 30865 207973 216140 226082 94256 9332 15985 8337 204121 9_10-DiHOME 9,10-DiHOME 5271 158363 16004 8139 1847 87327 12821 20351 45947 11060 11627 13903 16510 5188 30941 23681 3292 7154 2030 11745 90993 31680 3460 112250 9026 2799 3078 27015 5596 109230 4409 7714 5609 8550 15227 6335 11397 30640 7896 16343 5391 7991 6614 3153 4825 2918 4703 3374 8130 3348 12282 12730 2364 7142 8077 6483 9210 4185 19393 5586 6183 10050 8965 6281 10142 7365 3687 4065 5949 20697 5561 6818 15535 6632 13855 10130 5878 4290 6810 16505 9580 63935 5701 2546 4653 9-cis-Retinoic acid 9-cis-Retinoic acid 14457 26324 24158 30236 22850 24833 36899 19832 25527 52345 13049 17547 24260 104180 32600 35160 57943 16390 21270 36632 27413 30885 33735 24412 19419 22568 31201 23004 44523 28245 16943 19413 29150 20772 24098 21233 32367 16728 19540 16734 12483 43594 36169 18155 21160 27174 20103 19528 22169 32817 12714 16289 12970 19597 23530 18112 15962 15660 21932 21147 26377 19310 41096 16842 23844 24450 13581 12137 14643 29767 26090 31128 18563 30597 14103 15667 10640 20699 37378 44124 33439 29889 39976 41527 19068 Acesulfame Acesulfame 5 2488 4 381 17 9 108 54 3250 8140 6 6 5 3 5 2815 2755 6 3706 37930 50 44 1863 4 28873 5623 1203 58778 52878 149720 13199 7574 20 292 2244 34918 19672 197306 21 614 73417 9 582 109621 7182 119 2779 10296 3 93899 4 13697 174831 362 4452 2383 44 2134 86652 8 2723 65760 95 606 11526 234185 Adrenic acid Adrenic acid 571747 281075 521203 210432 143228 476846 265098 197074 133243 607366 579272 514610 245846 300606 123960 141008 162517 421116 270491 118358 107715 318045 202500 189117 89813 174707 65583 196596 195735 112155 106820 117041 75032 151280 99159 173125 213627 190505 73420 186811 169166 118138 295744 125226 114292 386454 176409 74645 160053 125828 74277 100323 56303 76291 99888 128792 88927 107749 106829 88759 67029 75062 150528 199780 219408 73492 54792 329005 175257 180233 82022 211587 86603 188299 111434 219500 438537 115747 64885 416254 815124 366111 164016 934462 174403 alpha-Linolenic acid alpha-Linolenic acid 4843539 14611915 8678093 4622148 854465 7157415 4845040 4036522 1655065 3834758 2916880 6863545 1389731 5202080 3352373 1011748 1836941 2298645 1553726 2906383 2949558 4683873 4291777 6562510 2060879 626718 149116 2085366 2612210 2157354 911490 1317721 2136851 1342700 1074957 373475 3071361 828021 495646 1463007 622238 1055546 1063970 549839 447975 206866 2434843 1025461 1209693 738706 685948 285218 99684 335104 463538 884679 584215 564065 690211 404831 272495 1521490 925133 3943457 1762602 743639 339361 897948 3188696 1714089 1481078 3437624 1169176 4076839 541552 580055 662017 1493667 732922 1675513 2251021 4246732 855129 1476541 1871800 alpha-N-Phenylacetylglutamine alpha-N-Phenylacetylglutamine 14072 24556 55197 265065 122038 34400 12474 146025 127860 114170 173386 10245 5771 8893 12647 12402 9974 8594 22090 7861 8936 9270 14117 8190 112963 27718 8272 83984 106495 35214 60976 56769 135536 37799 164256 165962 339347 147973 285328 70385 258359 60246 47099 422289 36580 61164 297583 171669 334532 76098 225619 127564 15898 114265 125526 243603 129936 225037 234611 455992 33621 368873 170920 83787 373670 109055 200361 784893 364881 309617 31174 35389 219983 267216 171079 179598 59902 187129 103823 84916 31879 73276 82479 236035 63593 Arachidic acid Arachidic acid 358726 943766 771316 560082 144024 595107 440066 559014 336161 415717 752942 426451 525903 389467 250820 244747 249368 495010 237844 377530 537971 362205 352032 637103 531701 269686 240758 223194 263508 305207 357019 304553 381450 235150 342282 165847 404512 353282 222687 521575 263207 382965 331099 209533 266928 116471 280281 291687 267225 252206 249263 263532 170796 191948 359088 303976 382077 214297 270836 279216 181818 333442 393013 505453 357369 258993 202167 112045 318816 434116 343534 299855 313708 315203 487315 196151 230839 368051 472535 690593 431091 563653 287687 346831 366690 Arachidonic acid Arachidonic acid 2470860 1101936 1145376 496652 381423 1387929 965037 789433 340702 3343823 2045872 1153531 1077464 1030961 419180 378806 914892 896737 931253 535991 495454 1385523 932506 691053 416207 545933 189245 618563 798818 293258 239951 541553 366156 686281 394800 708601 841646 732846 230739 609134 1571553 499395 1183105 365396 414740 4097059 568522 494443 451909 385679 407026 338115 162974 432218 219789 484196 344851 418530 452996 254100 166740 242820 779935 380061 756060 214053 261875 1452463 519802 567201 373488 727747 371846 763881 446288 1011941 1727765 287934 185685 3485847 4131671 773857 467065 5049268 389707 Azelaic acid Azelaic acid 128451 21478 7876 19609 8524 8970 11376 13281 7842 17865 24338 20504 11364 14634 15374 8832 15940 9488 10627 13860 14163 19014 14663 19577 20170 11106 12363 12049 11839 8317 13456 8901 16693 12355 87212 18381 49105 13443 31303 18677 24304 10138 12582 16261 32809 12941 15215 6914 18554 7158 39182 16907 10657 21609 15882 16300 17187 10163 93931 17666 16570 38385 17756 10108 30092 17611 9741 9554 7704 33572 11298 7637 48059 9005 14291 17422 16850 6973 8841 35478 12297 8254 10293 10401 13063 Capric acid Capric acid 12790 11298 11910 22997 7128 11546 11528 14674 10732 10020 23877 12197 8207 6191 152353 8726 9810 9579 10034 7954 10223 8613 21482 8167 11334 11921 5559 10122 14821 7229 16403 25536 8836 37124 22545 7313 14508 17206 12239 14149 15636 39595 10494 14229 15255 5512 22716 12125 13051 18284 5793 3613 5181 31377 27031 18410 18149 20444 9301 17799 41315 5031 26534 213666 10621 12911 9604 12338 27893 10924 8693 27684 42115 14019 5661 23574 32055 20262 13061 29975 13972 13618 33015 10050 12803 Caprylic acid Caprylic acid 808 1694 783 1304 513 799 1459 774 958 782 2161 1441 719 758 47996 807 1578 560 1288 727 1082 1220 2684 979 1052 1322 802 860 1973 880 1425 3863 739 2385 3375 1130 1564 1589 1305 1038 1719 2557 1728 1052 1700 748 2125 1348 1348 2145 926 618 701 3181 2447 2587 1465 1463 1614 1779 3266 751 2455 7582 1266 1776 1131 1710 1393 1365 1181 1807 3466 880 680 1440 2022 2104 1075 2917 1284 914 2929 843 1148 Chenodeoxycholic acid Chenodeoxycholic acid 48169 42443 28945 31685 42670 26715 1112561 21272 23729 4749078 34434 55756 26778 90903 82059 86048 66111 27791 60339 79466 52289 29681 31096 86946 1551142 108299 424809 3684279 446599 1329647 180022 3634674 68962 590239 1435316 373231 353559 1418423 188099 794008 696568 89740 181897 1048607 6344932 368990 460227 3011040 2168622 247102 1129039 5702712 3633938 2202086 228681 990420 2851424 1464116 52230 345923 134894 1949555 1817572 6880414 201196 300244 592231 7657722 293500 91455 597308 3232427 8874838 728283 230124 402820 86646 359976 257608 56437 100902 Cholic acid Cholic acid 5941 2228 5879 6467 1817 2710 38120 2841 1720 3624 217882 5870 1529 4107 9628 2886 6171 13135 3003 7943 4898 4408 3102 9496 2791 10578 2014 150207 13185 11073 157533 28176 54914 19900 21450 3425 18315 32098 34024 15382 16642 6019 93582 6818 2888 19686 30023 139014 35929 24464 163922 140188 1246 54870 65112 394278 319646 9497 84649 83194 152770 4361 16366 2663 116000 16507 631335 15380 26364 43025 120866 16591 8915 14041 255773 680274 83793 12413 35360 23613 5637 37306 10171 28345 Cinnamoylglycine Cinnamoylglycine 118450 1661911 184306 81810 5072 1395649 37599 5332 3738 743274 2968 869679 22485 193037 15535 542826 26768 5469 7749 19609 8445 69014 103567 40539 3873 5783 228844 223625 29357 55215 85750 771433 28798 66435 28106 37362 26031 15973 65826 31470 59441 43516 37723 35012 92407 21278 27573 168693 1150 86999 19541 12469 38675 105663 cis-Erucic acid cis-Erucic acid 127394 544916 486087 408630 122944 489580 505788 420966 452028 508004 112564 317742 571297 290247 353161 333395 618115 374643 311465 289742 465565 320426 442606 320698 456912 385465 324023 258416 460773 332982 354540 236798 355058 271830 339953 270274 340220 220470 178042 538330 47157 489502 653231 297512 360070 178560 552608 452172 277519 662492 269130 137195 142743 201388 408186 255057 463276 282722 283459 396611 321106 330492 576704 591001 323624 221625 196257 58245 227143 239815 386571 405255 284494 475409 101530 36760 87154 380979 505614 571397 477795 605164 362522 289362 362046 Dehydroepiandrosterone sulfate Dehydroepiandrosterone sulfate 65232 6100 21890 21452 21852 36754 28278 54725 39854 4325 53780 5302 41279 18802 12126 9274 21952 20518 35453 12801 675 35323 13139 6350 154291 9701 1998 12186 64982 725 5638 32528 33025 70280 75183 10501 196271 24577 6800 29678 9926 15301 743 81533 12376 7000 1975 1975 37829 33725 73854 33753 22052 16326 4075 3300 57031 14954 1832 2786 11241 36553 18485 1426 Deoxycholic acid Deoxycholic acid 487589 42415 63280 111453 482492 149940 1623408 116208 211837 29594 2139869 24008 13427 19767 122019 31672 67380 53921 24541 29092 1250572 68603 1213721 1954110 9820733 1545224 6947121 2531372 4068837 5493092 1389000 4477286 2691047 2253424 2635558 1630028 744891 498739 1958523 5571307 791014 3560230 1122989 26891 4169153 3817968 5212539 4054841 4618499 5037590 18735289 23488 1180403 2520839 3484988 17678 6163519 18949655 8615631 38149 551758 1330054 4553307 1115734 6500403 6648032 19963 509445 908307 491201 708802 339679 Docosahexaenoic acid Docosahexaenoic acid 1898003 1076091 1612867 803597 497100 1653203 1217491 810159 508601 1430542 1504227 2841773 509435 735702 373704 318568 921651 849350 912454 592994 683722 1348749 801446 749566 542207 366568 115005 766062 654195 503495 240717 567218 369530 1917426 278262 490546 728096 307431 200786 811974 343509 520736 611027 421892 409167 1225762 863695 448937 498043 348507 849172 407574 91743 420728 119255 261108 544028 267730 250997 506736 97738 365451 626571 528193 666239 84397 205411 370379 684751 337322 230891 1541007 178394 2849450 569645 320539 676628 255754 255765 1054622 838708 853250 485263 1011242 235288 Dodecanedioic acid Dodecanedioic acid 34173 51215 32839 202302 9495 35073 26241 34147 17324 27284 38924 21834 16409 9144 8682 20223 11016 11729 30757 79178 27438 22602 15903 16890 34457 17111 8661 27855 39385 16622 15998 25773 28486 141115 18365 14785 23116 19123 17470 17725 19834 23368 13274 16830 16591 11499 22903 14200 17323 12509 10451 8311 10208 18525 25475 30683 12116 12404 46201 18748 16494 9390 20498 108683 26846 15252 14704 15065 33813 22629 8987 25411 35824 17407 14210 17549 16323 16916 13144 25055 25558 26447 20838 23778 25140 Eicosadienoic acid Eicosadienoic acid 1170513 695671 1176183 843150 542292 1037209 588412 771168 406444 1195689 885004 1020990 725807 556206 474623 548248 517166 826185 1113912 518173 617164 938486 827127 508555 577906 395482 102869 739094 709652 505076 274860 397300 349502 415781 401957 363531 891710 280640 182311 498037 219290 272441 519007 317117 208305 299131 649558 360260 549784 499617 235223 196426 71613 179089 265118 370737 231142 315920 158305 215740 180973 274558 302595 935912 511506 219858 102162 652290 748816 426282 238774 875098 370871 1191509 210280 312141 665810 585407 367637 958868 1057278 1067552 545008 874303 697574 Eicosanedioic acid Eicosanedioic acid 21580 14435 6769 31090 23171 12306 22416 30437 48501 16387 22382 10941 5252 7846 9406 7667 5949 7137 12030 12766 23607 6740 12881 6087 19250 17776 22297 14382 16138 8472 28447 44794 65510 32015 65238 47176 15714 29956 62494 40832 34141 14331 9659 27348 34583 13529 39827 20637 35432 14870 32507 21753 17628 38806 50693 44223 14425 17847 29941 29576 54912 26032 16442 15638 27320 22761 36352 51968 36312 28966 69097 22356 77368 10720 57904 18115 39180 29842 48453 64994 15006 19599 20841 7613 10706 Eicosapentaenoic acid Eicosapentaenoic acid 163464 54868 77430 40083 23640 104033 72627 32175 35866 137538 97164 131503 22585 63988 40241 16764 40482 30136 43700 33962 19361 70455 21896 28053 17412 19112 18518 21805 28670 12870 12923 22252 42568 116286 72007 29510 44437 61159 13765 39097 81265 53174 48808 26876 37095 227884 34334 17307 42108 33410 41700 27221 10925 19982 16967 75193 24725 40699 28767 59802 15811 38728 47452 41565 54751 34116 27576 161803 30794 65948 22039 95102 13392 94603 47664 93153 141855 27001 15551 160664 121372 47681 23787 166568 36774 Eicosatrienoic acid Eicosatrienoic acid 810648 308239 362250 225620 157619 370108 251538 222151 149891 914302 414188 500894 207542 231740 222156 179152 215594 188529 308812 187873 161157 337727 145476 185605 172382 149090 35197 163949 172393 110693 142470 147941 148165 275508 159474 172154 327236 155961 87076 172689 384429 182141 378333 113802 122252 566100 190621 149215 167112 120879 98662 80498 47299 73611 139964 168082 102405 115744 105600 161035 107742 107642 160457 342881 250388 116387 73569 436861 176782 252937 119058 395492 95971 216104 123337 328141 543164 130922 118812 707690 709505 504339 200178 613118 217328 Eicosenoic acid Eicosenoic acid 1099158 1247321 1293320 1064563 528616 1031814 954367 972119 564335 1054201 854634 1195192 1438682 695394 592206 796037 956167 1132348 996727 769219 800896 1192265 920031 748113 615999 576645 233162 717800 890897 684903 538138 386041 268812 497160 870839 367211 972633 476408 269506 580594 163693 461885 822875 425839 395444 274647 779353 494443 519824 709807 378101 361713 161089 321943 479106 422665 443285 330132 374612 314514 355457 375193 442856 1348312 507425 247604 179934 295328 743665 529664 508798 1089131 474450 1560538 350643 255321 417636 631530 530671 671382 1248858 1325459 440405 924360 847018 Glycochenodeoxycholic acid Glycochenodeoxycholic acid 464590 333831 286962 548798 161807 103140 81752 216001 174598 93077 2316790 260565 753973 538319 180463 56251 356907 705774 351186 168853 379237 2392729 86418 533341 130138 367301 1118231 95058 2745061 526840 2468088 872676 964629 951432 3533509 2955822 756774 5618055 4237033 1504460 3077426 1557809 1155529 1498461 1732070 673996 1785823 733777 1137801 1331188 833493 6848678 4607990 1131527 1666627 1924538 5136419 1498333 7323488 670328 1537695 827231 865332 2767843 1099383 1967200 2309773 2831001 254814 797409 2976229 3091302 2638614 2311273 2179010 784143 2619011 2056607 724472 6009811 1080981 137661 7185333 467011 939639 Glycocholic acid Glycocholic acid 149176 32654 17356 131658 18322 16364 36384 25359 35309 45943 270453 92565 537862 25460 118369 26529 127791 498727 29669 72023 88832 908092 82799 364747 11507 85885 445176 7174 326672 251258 513264 179978 109261 119399 1732430 196924 150688 1555625 617148 288004 790826 192954 187403 694282 360900 70252 356962 84995 612293 613087 101034 1073797 1582312 214202 830416 448305 1294451 764597 1773239 171156 540135 451044 164933 611098 134241 1021604 255667 778643 204550 574218 1545152 442157 1179469 378438 210501 292079 579464 1024662 289472 2153171 551507 9882 3921274 108755 634621 Glycodeoxycholic acid Glycodeoxycholic acid 47588 24101 33135 153957 31207 18601 28556 54306 8650 186 120647 7122 13148 9802 1418 155 133752 7256 2147 315072 1578 161 2111 1736 6544 1745 236834 28347 433256 70481 823014 110091 3417 551270 228008 2112616 752330 287434 1004480 181342 303437 154036 338913 292683 209626 75653 315777 95009 349874 285432 4338 264916 315993 354119 524679 321675 2097794 736693 1171 1109 186751 650687 346418 1983 426473 637651 58 506997 3317 26084 87605 1427257 211823 161148 283400 1950 75458 15986 6951 10499 489714 55780 23726 Glycolithocholic acid Glycolithocholic acid 2473 1278 1896 6480 1942 545 3122 1126 2855 39 54 87 41 136 133 245 59 3651 275 5780 54 29825 35 42 37817 34758 58415 35178 3342 20034 3673 23148 1743 15518 13242 4398 13591 7762 2403 18440 86645 59482 589 1175 30945 2386 63986 14416 35 25219 12641 19506 11188 19277 76 18513 114 5892 55155 36478 3340 1218 360 1559 5 48 30969 3209 458 Glycoursodeoxycholic acid Glycoursodeoxycholic acid 62508 8109 3630 33040 29272 11238 41249 9595 5917 8085 303208 13609 23615 8575 218 2261 2408 82142 6038 2611 4178 49552 5750 6168 280 2081 11587 6143 270800 11566 513666 223876 306167 315715 422827 381269 85024 452258 1668266 157110 163291 302140 31433 113805 267397 22471 53956 58240 39919 123081 15532 251751 61157 113443 152682 598038 282483 269428 210049 379639 7454 193852 55081 109969 44778 487955 671285 291243 38511 56760 633190 81390 484115 78485 54016 242762 200179 93529 8024 1326586 26208 30113 171429 33181 33852 Hexadecanedioic acid Hexadecanedioic acid 45829 113401 98092 261541 18466 68124 56314 82544 44216 63711 52394 51071 44268 19250 26626 31029 28376 45999 66315 106375 55645 47944 116289 19604 81465 49247 18228 66755 57313 29102 42687 41788 43802 35618 33910 43691 58864 57354 43995 35750 48965 45611 16867 51385 24380 15660 36455 41643 36367 23446 40075 15506 18860 41075 99402 53857 21838 23193 80055 39906 47736 22564 23599 122846 42352 24735 32762 42266 58850 57475 30666 54238 75829 52367 36647 30797 25885 33731 39254 63956 126389 49269 44839 40157 121059 Hexose Hexose 353444 227269 264928 22099 172114 28670 238165 196842 285978 261780 443878 245943 166621 360244 469584 19747 23556 349136 10577 236002 23681 331525 16182 28333 35886 26788 24091 334004 11929 242141 233363 252332 195192 257559 399670 42208 113594 581119 432764 269052 417195 61170 139840 219631 76882 263338 45584 21389 155723 19027 97337 363843 14542 197237 304973 28347 209528 169617 207105 27394 160968 243537 31817 72489 277277 305602 185245 508418 203649 32341 241112 16151 17324 19235 372214 441923 461819 21198 118306 57219 24439 190321 303775 247550 138108 Hydrocinnamic acid Hydrocinnamic acid 173610 113297 89478 46252 33356 42417 32082 552662 29171 18039 20110 27136 36481 28910 36803 46014 28190 1739872 40180 65852 26427 35328 133402 108335 11550 52650 16575 311806 81980 21080 68255 225993 79787 424032 122708 74985 64339 44692 679416 429681 236826 34759 39563 320813 155904 35890 210442 53319 266795 123608 226354 68684 86365 43744 200157 95301 159705 94271 436409 78437 145689 85369 56056 109562 71788 449937 104634 32581 28516 151638 21924 34309 154444 93353 Hyodeoxycholic acid Hyodeoxycholic acid 672390 33191 129065 15037 586957 94080 140314 286135 1006599 606945 607306 282794 920773 62532 251320 3087615 233584 212668 378196 36466 344991 202327 116193 712977 210361 256731 233718 236807 31086 419144 224304 1574761 237108 708649 155673 1262707 874853 299131 22615 197090 769285 1300786 1077769 269155 116102 101491 229353 280262 349401 119282 1407921 926601 34528 150455 136253 310016 109491 67913 Ibuprofen Ibuprofen 352 110 158 1732 20 242 272 1745 501 101 255 59 700 6 148 41 428 81 87 65 5691 926 229 1442 137 26 225 143 55 899 274 48 17 7 278 7 1171 830910 118 18 20 21 39 173 8 380 8 7 12 1132 36 15 232 793 164 4770 210 241 Indoleacetic acid Indoleacetic acid 5253 3658 1447 6414 5054 6228 3182 4727 6121 4687 5794 1873 1009 2039 4488 1305 1800 856 5932 1378 674 3608 1933 2710 8790 1462 3503 4977 4826 3712 16250 8101 12502 8848 24407 15207 24512 17574 15680 11315 8349 9868 3462 4873 7559 3412 10253 9329 4130 5442 12785 6553 1569 5863 20339 8772 7609 15992 10278 11417 7943 10892 12144 3445 7411 11865 9237 17496 9994 11856 7501 10823 3049 11268 6387 5810 13074 12789 7503 6230 5995 12729 9237 7587 3611 Juniperic acid Juniperic acid 84369 90657 114039 281395 41090 165738 63600 117876 63095 81181 69757 88021 67982 38593 56963 72348 99850 72947 117344 94816 97999 82669 433717 83317 101763 85864 41639 107126 122242 55502 63427 70455 63855 74268 46971 41027 171112 63487 51155 88266 63184 81584 38768 60239 52021 75226 110257 76587 63538 158849 42139 23472 33943 44154 75488 51915 37609 45944 51773 56930 55420 37271 53512 369224 73033 44705 55053 70438 99084 85658 31331 148807 165047 256451 27534 47106 46621 95818 73513 219849 102599 87260 66367 79933 164114 Lauric acid Lauric acid 151785 89037 79816 337446 50221 159672 68728 115390 65142 105068 271756 101515 56625 27626 46257 61705 44625 104180 77666 79123 57083 66469 61508 47394 75267 68826 12176 72151 134304 43710 92479 153904 95696 1368598 57537 33325 148276 50650 33708 131227 37207 148932 62314 69670 147885 25261 115446 58604 47301 73138 29141 15006 13493 67808 102034 203608 57291 52398 72057 74669 52663 22041 94858 818745 74265 39979 36002 70891 239981 71729 37720 157259 90880 102423 43038 43567 74427 83943 67556 253491 92660 147493 94556 107084 118198 Levulinic acid Levulinic acid 91828 102572 47524 131805 62260 118676 70596 89863 81703 90085 111717 59131 34422 45912 119123 31999 102865 60715 99042 49077 70630 102947 114470 55602 106317 64070 95800 65942 88746 44712 67604 69693 56632 105329 162279 48049 117503 100741 113168 98877 76683 93760 49424 123666 100359 35100 129148 88810 87986 117571 71438 77082 53500 92639 108574 246969 72981 118953 77012 323459 157001 188966 157965 161921 71461 110035 71333 134976 66208 206733 75791 150553 102503 173813 80118 146668 109239 335340 110095 535468 55634 69715 100692 43760 69206 Linoleic acid Linoleic acid 33189589 61046608 40811843 34419458 15535653 36399947 27108207 29347444 14451880 29658916 26810956 38999668 17162872 27320252 23431692 16047067 16272956 20305499 23932702 20682953 27469667 28306718 34646791 32137450 25058847 13228995 3496088 21896139 26903306 20359419 12163669 16450337 16460731 15560078 11974641 9009650 30486767 10412060 7571266 17289286 9056659 11217268 11889680 10662445 9254222 8635097 23010699 16370738 13155814 13696525 12062214 7249344 2851931 8229294 7175447 14427179 8953039 8617694 9990812 7895945 6018187 10842712 11023098 29987270 17867253 8499460 4423683 14433867 27706802 18393234 9428492 25913014 20145914 32538914 8919817 8384509 10715675 18316518 12895463 22563401 20786102 28101057 13247387 18114935 16303697 Mandelic acid Mandelic acid 12709 9077 637 11070 5889 11579 6044 455 3345 43839 13528 12819 31400 13240 25661 3011 10273 31293 11579 8236 9568 9919 12133 6730 2298 1047 8723 17248 9808 15188 906 62132 3678 27676 24643 16118 32680 401 25728 20812 485 584 16450 17181 16871 11048 30909 417 15233 11823 12354 15078 6531 12111 6973 27167 20059 14701 25041 31219 41869 16229 19395 4450 500 12332 492 12554 5424 36510 11513 13616 12221 19130 15653 20724 23049 9454 268 150981 466 1430 1324 187 506 Margaric acid Margaric acid 637944 1250003 3047114 3360851 748740 1015983 2199146 2079080 786287 2063679 2688554 2948681 1831991 1777958 1206628 1910011 1321614 1808897 2416143 1943377 1873319 2836681 368872 1121841 1415069 1013392 540129 1339182 761461 235176 1087959 761606 881138 822715 1321793 671083 3137215 1286929 802900 660756 726793 725871 1695311 894097 791131 1070835 1511583 965520 1445867 1585001 458611 649141 435730 405281 925215 986091 522293 944002 587315 963450 152125 808170 968766 3413348 1275345 699497 287273 271180 3244468 1661236 815913 1175209 483940 3231796 684625 1283715 1341418 954339 1980760 2171199 1636033 2829997 1628916 1664434 1620007 Methyl dodecanoate Methyl dodecanoate 4907 4547 2919 4649 2521 2671 3351 3168 2751 2977 2256 5356 2554 2168 2807 1896 3459 2861 2684 2066 2545 4214 4520 2447 2917 2606 1678 2569 3215 1794 2785 2551 2534 4894 4180 2365 4635 2723 1848 3235 2483 3088 1991 2610 3473 1719 2712 2686 2093 3724 5036 1502 1638 2895 2707 1638 2562 2433 2379 4166 2589 3813 3099 15667 2798 1855 2263 3262 3915 3235 2773 5539 3962 10141 1767 2345 1950 2684 2608 2963 2712 3131 2869 2877 2602 Myristic acid Myristic acid 1559307 1032494 1060393 2314463 633624 1192906 532378 1501941 530833 1031419 934139 1226051 430595 379941 381088 623243 299247 755763 1208573 590560 548208 725014 591523 531712 587524 302901 81589 704596 791206 528429 619848 780067 366631 1394937 490334 226997 2295783 350374 307005 882641 296272 969613 371970 434995 546091 187255 914559 443707 409514 567373 233295 103072 111349 415264 551349 690041 303555 350614 354108 416961 378315 182088 451259 4193444 406195 276813 224091 614410 1643573 851653 223412 1722026 760757 1048823 206853 484467 740612 640735 645693 982664 613175 1363093 705162 776589 457175 Myristoleic acid Myristoleic acid 102795 84606 105238 255880 75698 159652 42331 143678 51491 172473 70622 128754 29196 45223 23151 81563 33292 92695 149831 63937 60124 82283 48700 41898 56260 47391 3241 73204 92540 57934 44823 60141 23314 56860 28260 11455 310613 21992 13734 85751 11360 93994 19460 42694 34149 8088 99681 41400 49442 72052 20287 4426 4492 23943 42399 39066 17863 29035 20949 14763 28075 5953 29620 411752 21164 13449 10241 41090 215184 56565 11899 190507 42805 139951 11824 28040 57376 95161 64989 40097 63784 123452 56104 65347 27513 N-Acetylalanine N-Acetylalanine 3902 4060 3901 3828 2752 2258 3924 3300 3397 3967 4565 4066 3062 3482 4052 2629 3750 2676 3680 3501 4965 3331 3887 4179 3909 2928 3338 3056 2931 4309 3884 4774 3594 3307 3658 3111 3485 2139 2911 3060 3631 3009 2306 3053 3002 3441 3468 4189 3425 3077 2990 3279 3493 3127 2612 3607 3636 2978 3551 3619 3306 4030 2503 2844 2648 3783 3341 4471 3132 3371 3017 2313 3452 2964 3425 3182 3470 2987 3672 8420 3381 3120 3338 3700 2387 Nervonic acid Nervonic acid 149847 263957 473387 372072 93836 376651 244659 431731 568916 296671 178530 172159 303404 186938 106867 157983 298193 350678 155920 219308 403461 243871 420693 421503 448653 305141 335941 189726 220132 313126 223630 328902 321782 186845 363826 169727 189575 208959 187545 440716 160989 414178 136693 228775 173453 36888 189818 375658 194037 277946 290507 98416 121360 132368 231846 200792 292821 165841 141703 237744 214666 504371 325936 205840 361283 205620 256726 116086 122619 180155 472910 215297 242706 205850 275305 92050 126770 451186 480145 454520 346700 310663 253290 194720 363551 N-Formylmethionine N-Formylmethionine 2194 1868 1623 1961 1219 1136 1268 1743 1643 2150 2763 1525 1210 1894 1936 1200 1178 2077 1549 2070 2332 1492 1684 1831 1518 2300 1289 1543 1159 2235 1516 2557 1220 1251 2258 1302 1397 1727 1560 1354 1407 1389 1234 1031 955 2028 2076 1257 1154 1079 1163 2113 1440 1264 1305 1419 1493 1063 1372 972 883 1322 1113 1600 1294 1652 1451 1952 1572 995 1365 953 1336 1192 2193 1712 1583 1098 1152 3079 1471 1320 1448 2037 1583 Nonadeca-10Z-enoic acid Nonadeca-10Z-enoic acid 422887 623275 564447 565928 200086 391277 245287 369495 192390 397498 264770 409767 363698 239272 105123 251466 155779 331461 397854 307856 259292 367608 247883 263950 223467 133357 26138 265575 225456 200611 113733 114082 90281 143895 185819 56820 410499 115898 62598 169459 52498 145286 111704 89084 63919 38083 217116 121071 126808 130800 73247 45508 26224 77576 87483 76314 78022 82217 79240 47882 61382 52163 84170 711421 126990 42127 33514 97193 351331 127521 82819 409075 146645 454706 69821 114889 173701 192588 153960 164166 251786 440050 164515 302841 197346 Nonadecylic acid Nonadecylic acid 78452 93312 79767 90488 37003 58037 46321 69264 36595 71027 54638 62410 68594 44458 20567 42798 29174 50026 60592 68127 52780 52799 37401 42367 57672 22226 16784 46350 30143 49445 25547 24335 28982 31989 38713 22203 63410 28823 23241 49649 22772 46507 26806 21745 20280 18077 36576 26833 23409 36117 16709 10217 11989 14842 22064 22696 34587 25687 23937 25821 21432 21397 32273 88924 36610 18543 15817 16405 37790 41572 23175 43724 36522 41386 22168 25878 41147 37641 34707 59935 41992 61890 40999 33559 30773 Oleic acid Oleic acid 44026907 44628362 41271713 50361946 26044991 39994034 26828260 39256610 18600717 39486780 35916354 39954482 34883116 23594709 17713193 28426331 21845640 32973503 40661036 32936395 32108826 33230524 36293421 30727945 26192629 20849237 6042961 29396290 35328612 23576130 19597625 19506644 12566022 22491183 24566020 12199382 47914146 24822501 12240412 26246895 12000686 15465432 18038566 14557891 11795978 10576689 29654482 17417866 20641651 20925530 16286355 13056204 6232219 14644611 13099815 18881020 14521137 13047002 15813583 10700762 10721037 12251427 13735196 49176647 19872532 9723272 6898381 19480224 40714205 34326749 16967687 40022340 24006862 51157340 14663023 15951903 20754034 26595715 19157626 21690163 35032631 43665442 19267741 32383675 28023361 Oxypurinol Oxypurinol 15071 38504 63362 63717 33368 40886 112183 54412 34870 84891 12449 36906 60543 36464 66273 61718 137386 43530 82306 54161 70955 49052 157608 81103 66772 118403 145369 68430 180598 44904 36036 23391 23358 23424 94123 54320 65529 16279 69419 32441 7708 18652 176853 87829 93673 51056 99789 70737 66244 169410 22521 20986 112333 43032 37586 58569 37491 54873 24078 51863 76801 51218 93764 71365 27358 95016 22051 19992 26146 71567 57018 80958 76426 61917 15739 14584 24314 128915 60951 61800 121099 62952 41600 44813 61793 Palmitic acid Palmitic acid 1194690215 1395891223 1257129608 1367963533 801316104 1274605734 864055175 1189599276 747013574 1181343346 1096368365 1234593310 985946258 802607947 714534368 873561637 816464911 1008549846 1224165533 937384375 1001558193 1000680605 1238513573 1037868480 959057029 870854346 466814386 991332341 1169633699 786444439 923905858 803288305 591770096 803978706 749375492 598342739 1436307276 740106450 651314926 1014254330 506827412 763653130 729401193 690567468 636915644 683633354 999070003 742887320 774481120 839555491 640375101 528717294 465085492 645169797 744880022 856617116 628280161 654282119 703434487 695785770 609281098 610069576 740998518 1647042617 703023429 574457520 433054814 790758371 1192498068 1024057885 618647226 1270982163 873256830 1278479079 542801366 707850786 773145184 966149476 879193081 1105035010 1344049088 1404519810 768518928 1072814173 986601404 Palmitoleic acid Palmitoleic acid 4848862 3518277 4133940 7090311 3472361 4272534 1627305 4798970 1402350 5215932 3664037 4488142 1027599 1561585 1177856 2413148 1446244 2806101 5727461 2695012 2610155 2612075 2732627 1941437 2265340 1420518 187181 2951872 2825380 2271843 1067219 1938413 658276 1955207 1190828 667306 7724929 688538 499186 2631723 381122 1166316 498073 1204241 1041000 513012 3049038 1928412 1364222 1816240 1313972 243550 198209 430769 752101 1593183 329391 695286 575807 563294 777314 420155 717376 5904779 948798 495727 266041 2089014 4909219 2099582 456228 4369912 1366584 5314535 484630 797007 1557065 2842531 2338089 1186175 2689357 2840989 1239015 2947727 1577998 Palmitoyl-EA Palmitoyl-EA 3692 192065 7387 7508 3292 12166 23296 15136 63238 15348 18033 6863 7559 4183 36914 20266 14055 11610 7285 37404 7222 7701 86427 27426 7012 34583 7249 3207 25239 10269 10272 23144 8561 5715 3291 2916 9257 16960 3313 29536 4629 22056 9762 4936 14575 9195 7895 10202 2377 4318 5318 14315 15321 24024 116358 47132 37684 27488 6065 34820 9098 9214 16860 22490 35112 30230 11064 5944 26617 7631 12470 33547 35192 32540 9276 22217 5652 6908 7257 22887 24808 24721 12204 19982 18291 Pantoprazole Pantoprazole 141 24 63 109 78 6627 188322 11276 15 5 2740 379 17 78 37 97 76 101 172 123 55 35 15 100 33 40 29 50 66 46 52 2159196 58 33 39 34 436 120 1858779 91 8 254202 Pentadecylic acid Pentadecylic acid 525809 510429 430546 600480 253447 356637 220337 484897 262501 373135 285431 462011 255799 178863 149228 282417 148038 313580 431143 200957 256630 306470 215980 206347 268194 185095 54341 265387 359826 185494 263883 215160 160308 245197 223958 118862 550847 189657 134092 263583 152159 349212 212693 165496 185970 178643 302889 184184 154470 185093 114959 72144 65350 235431 268671 188558 148783 140295 143636 160788 149068 98067 186994 1007609 193719 99178 146541 185159 576679 226228 110466 631788 225122 386803 80998 240174 244332 178981 233272 419811 230601 517808 260385 379282 183748 Phenyllactic acid Phenyllactic acid 14525 15822 7900 13589 7928 13192 5998 13899 18086 15378 17396 11174 9818 12077 28589 4713 17010 17170 19711 5139 7397 8250 27664 8066 13128 8385 10109 9582 14096 11823 23063 23360 36327 20195 18017 28266 23795 37489 38597 22067 29167 29447 17428 26373 21281 16879 25864 32107 16940 13940 22681 19741 4146 24844 29839 24067 33392 19803 19555 50527 35411 20200 35487 42087 24136 17609 36534 21561 16571 22810 10151 15843 27323 18765 15245 19118 105526 9026 22130 38311 10775 20317 128623 10801 14981 p-Hydroxyphenylacetic acid 4-Hydroxyphenylacetic acid 327 244 320 1280 379 551 207 761 707 784 679 239 95 256 197 128 142 96 233 270 132 212 178 210 509 222 140 904 223 350 701 276 877 659 1013 674 822 750 970 438 781 524 377 419 309 337 416 532 390 621 576 665 200 394 1594 1327 632 646 640 1331 1579 3810 466 700 471 1206 1134 1186 2197 1435 526 632 759 621 804 1044 728 785 392 1050 219 2181 746 730 1257 Phytanic acid Phytanic acid 114174 157652 142168 85631 29838 65988 154675 77432 108110 52210 86633 76736 56881 29909 21145 40925 33465 36515 36043 59761 44518 42120 38548 31319 71952 19386 33251 26973 44711 30890 45335 40471 43969 39644 188579 11231 61686 63849 79716 81428 50663 191042 23604 75737 27634 6136 47192 45823 43652 32745 12082 11526 69069 121240 76626 33436 82670 73333 37596 53401 93045 40279 46218 509771 74351 55986 56643 25818 111431 23814 30781 77771 53063 36817 47926 151607 73198 53388 92856 115081 25142 111210 88953 53951 24199 Ribothymidine Ribothymidine 2728 2998 5547 1054 2622 2884 2312 2961 4467 4668 3884 1879 5049 1383 4274 1829 5087 2945 6502 501 5061 2604 6813 3004 3727 3541 4196 2257 31777 3751 3986 4148 6427 3568 3558 5233 3782 3302 1367 2732 5472 5849 3211 3539 2506 7546 5684 4915 971 5377 2499 4300 2152 7154 4744 4773 2881 3852 2440 2670 3104 3686 12224 6290 3658 3179 5857 4769 3165 2739 2594 15093 2881 1520 2093 5327 2295 6381 4535 18548 3781 5140 5577 4167 759 Saccharin Saccharin 910 371 360 451 1056 1145 34656 113 120174 1127 553 609 191 253 637 318 347 3017 1257 3631 519 869 208 665 258 259 299 3823 530 620 664 125946 2021 982 860 756 270 117 1488 571 246 2081 770 44169 1815 281 621 388 5965 501 1020 313 975 93 62566 849 435 3799 525 2253 387 163 368 29 400 440 800 317 35576 116 232 217 411 661 1097 15331 910 41 160 124219 230 110 1184 292 766 Salicylic acid Salicylic acid 1443 1346 3222 1424 2056 1542 6556 5985 1417 1992 10018 1762 1782 1285 1520 2323 1982 3305 1516 2496 2682 2100 4666 1857 1802 5559 8286 2263 2121 1766 9303 15039 27131 7955 9788 7981 4024 35140 6888 4933 53983 11098 6452 3982 108205 5424 29030 4998 7826 46776 5725 6355 14500 10470 17095 7673 19596 4404 6144 37439 3968 8193 34788 4772 57978 35097 12537 8004 2238 3656 10365 11154 8132 3868 10231 22764 3954 36786 9191 18491 1533 2404 8698 2078 2700 Salicyluric acid Salicyluric acid 1023 1238 31582 1346 61224 74958 5115 81739 6192 58639 4200 1023 16909 9369 1400 30908 37849 169564 12384 7000 172450 226366 442945 109309 91486 95417 44693 560813 60793 43508 658927 208587 55947 26331 1867150 61601 277905 93963 687628 78670 80609 213234 85186 255481 60578 229011 49485 88201 575410 70216 83032 213450 25092 509484 487424 140169 137902 4738 46470 68601 160195 50939 38500 122717 191157 37477 425446 124624 247137 16466 140277 Sebacic acid Sebacic acid 12221 15544 22662 62084 3522 9298 7488 10683 3904 10546 10203 9238 5330 4076 6482 7238 5020 4488 12666 40938 19232 8270 8978 9621 10451 5988 3696 12680 10739 5175 5100 6367 5511 9960 13471 7423 9145 6142 9211 4890 9562 7824 5631 6479 6996 3917 7906 4610 6532 4589 6313 4094 4117 7667 8882 6936 5287 4289 14854 5911 9429 5807 6930 25058 6934 6922 4480 4215 8610 7888 4219 5966 17735 12817 3651 6684 5799 4747 3652 10942 9972 5204 5829 5268 8397 Sphingosine 1-phosphate Sphingosine 1-phosphate 414320 733546 492255 685327 737024 681118 684580 658223 912557 718422 431775 531807 716035 520795 366848 371899 930187 420870 714223 401020 642059 611384 740234 834369 590299 540441 823926 668284 773171 718976 1218709 967544 765209 877806 786865 1253550 828883 853802 1165908 939668 230200 1310606 820671 781612 1532372 569866 1598892 1029992 534708 1319275 1200071 787597 540904 1008325 1080474 1024588 932015 1043727 832353 1023194 749872 788041 1180360 790589 941415 874384 1141693 610992 869672 815641 861036 1310874 1025620 1022439 663590 245616 530058 1722198 897625 1309529 777221 903328 653620 929581 505202 Stearic acid Stearic acid 339924539 451013142 362918686 378851610 203602591 368652837 309846882 306169923 250546355 259378161 416143205 371512615 498656409 283085286 218100244 250757997 282789031 434431367 228627560 258990604 286821111 316638777 259632049 340804648 283526964 379105307 178130819 215478718 346562884 208744038 346781972 222128721 232760704 178830515 190026287 147223904 277003098 356784839 156028570 278518572 229633644 255516108 313591968 177466473 211358875 201563195 248215304 222953272 251054471 191178375 166638905 202876860 178133567 268468579 354607036 236152008 205334267 217705310 316080066 228774715 147934373 194438287 272309469 476203834 254429173 182159736 185075388 206702113 335580610 265850046 204772213 339817174 197049216 322053828 187069039 290018197 225807280 277205608 262854198 305931830 420359571 472616832 248290138 409452804 430936906 Taurochenodeoxycholic acid Taurochenodeoxycholic acid 80252 37312 40937 74786 18644 44339 49826 38124 106685 12800 272300 45580 111837 88893 21744 39603 170901 114897 121209 39003 74172 1239268 14982 33204 27230 18460 154895 48684 68528 219906 420935 74449 77190 92224 337125 622343 212497 1717854 1640881 283841 495260 241943 741643 99637 275705 61840 253458 99808 107363 74416 350946 586169 194324 128871 227500 116960 1507900 84195 1027952 62186 179851 294352 260172 930525 79912 140875 503861 81460 55545 209247 665514 274210 72697 360122 178521 49295 490052 136256 193306 396993 52901 92907 2829826 85289 105854 Taurocholic acid Taurocholic acid 22744 3209 1938 28033 2140 4424 6546 3709 6349 3207 31622 19166 67834 5883 10072 5797 58050 111446 13894 12141 6168 384718 6624 10890 1821 3889 49819 4162 18904 24120 78995 5301 70745 11065 170494 35870 79032 499887 218518 50799 102736 25895 122581 52154 62015 5844 45067 12519 44095 34981 40737 76899 85854 18027 74122 19905 411923 38953 223590 19933 65229 108553 48362 209540 6390 62958 50180 22610 38414 183839 321492 43274 22361 54057 15942 12657 102851 62717 47131 93761 17221 2655 1435620 18023 77820 Taurodeoxycholic acid Taurodeoxycholic acid 13640 5375 1365 24121 7146 13148 9694 6251 835 4738 17087 5027 2518 4718 5046 5772 4500 46604 7693 4711 417 144649 4942 4934 27 546 7524 4235 10797 7742 116023 3326 43547 16261 4551 180922 81706 744713 273472 86763 229488 35806 319386 17370 67258 35364 37813 13371 38114 11944 209430 27501 5004 48379 34164 25048 176041 23305 371465 78312 4680 13156 93473 315945 25031 5823 114485 23618 3819 164264 4676 4802 5342 286069 22973 16801 68750 5935 21893 154 92 1376 267883 13000 3915 Taurohyodeoxycholic acid Taurohyodeoxycholic acid 2287 153 709 226 764 2066 210 10072 547 819 160 391 285 32 6280 157 165 7438 177 82 67 204 1654 224 25429 2352 2585 6473 14347 19177 4689 46657 192583 7171 6187 9763 5600 1751 10617 324 1695 819 837 1882 1937 6641 716 2716 4110 6663 21914 4398 7138 7552 469 11973 3543 8250 7415 29890 2875 925 4204 39011 2544 2816 3295 884 2141 10863 3231 102 17886 190 16395 661 102 Taurolithocholic acid Taurolithocholic acid 30446 40103 25004 36212 43391 27062 17750 14576 17428 22072 12822 18438 9026 6265 43368 32839 10026 10504 6876 41619 20222 5112 47063 17196 56060 40691 626055 25910 73672 82251 25342 18619 58946 11167 44463 55463 41148 35511 13159 23050 6478 31942 16342 27427 24624 39206 26890 19258 1533 66674 27934 25984 20283 97882 26398 24691 40354 10581 44100 4921 6122 23492 26940 51383 23256 21497 349667 17081 Tetradecanedioic acid Tetradecanedioic acid 42627 103309 65982 227183 12831 44993 52295 51057 34408 43224 35620 48294 30767 18591 14484 28344 18328 24562 62850 68754 37610 29814 28193 18673 45655 25748 15579 38461 46180 22815 29396 24665 30046 40533 22316 18347 36264 37643 26549 24130 26990 38062 17365 29938 19454 10584 25539 28262 25408 17341 19676 11921 17716 27476 60136 41061 16191 22720 48497 26685 24691 17448 20492 146724 29180 19405 25609 25315 48681 41028 15198 64353 49220 42914 15763 27746 20674 25245 28644 27397 79455 46843 32813 31208 49079 Theophylline Theophylline 74753 28494 4771 968 37445 959 105831 3273 9170 38031 157317 25395 2092 57419 57622 738 1565 5721 369 28793 1044 37197 9694 20383 49077 21292 4561 33959 1048 29168 9230 5574 8491 25963 71502 22822 7938 19259 64000 29798 17201 8341 20255 56472 2408 46749 13816 88076 19558 22240 8123 61504 353 90203 9291 121473 22919 48191 16305 618 11490 20658 5814 5489 9433 69367 13525 112849 29600 3863 26880 2535 12542 3824 84587 142398 75930 5668 168653 39977 20106 5415 52572 29635 6276 Tridecylic acid Tridecylic acid 10124 8481 6676 14612 5264 7372 6075 9071 6191 8071 6216 9121 5749 4783 6601 6301 5728 5978 7204 5032 5558 7338 6078 5790 6378 4996 2905 6628 6839 5223 6474 6703 5992 8979 6438 4391 10046 5210 3933 7611 5237 8968 7196 5999 7147 3331 7470 5814 4544 5682 4759 2898 2669 5723 6423 5312 6424 5409 4991 6251 5403 3920 7570 34003 5996 4408 5622 4752 11621 5296 5336 11013 8370 7276 2795 4895 6696 5477 5810 7792 5793 8229 7282 5928 4779 undecanedionate Undecanedioic acid 9253 7220 4375 14949 4728 5328 5764 4806 4874 8381 5983 6503 5213 4812 6201 5358 7197 3942 5964 7481 7879 9712 8333 8596 8167 7572 6044 5600 7368 5151 5131 4838 5150 6462 16548 7728 10661 4466 7183 5753 5682 5236 7648 6775 7982 4156 7313 5021 7020 5526 6137 4710 6561 7130 5488 6351 6012 5533 11764 6498 6056 7144 7158 7804 6781 5996 5302 3757 5382 10293 5524 5429 13697 5541 4768 5144 6056 4511 5052 10050 4189 4646 6142 5315 4645