metabolite_name A B C D E F G H I J K L xylose 118993 25592 46661 16359 17357 8743 18190 83651 18808 31472 18323 10794 xylitol 7016 5655 5695 3876 4347 4056 6892 4750 4916 6096 3374 8126 valine 810875 912685 712400 992856 857452 898708 760407 799318 826778 848376 736003 870566 uridine 2217 4754 2095 3358 4147 1586 2064 3471 2131 10768 11415 17960 uric acid 32175 17070 18653 12234 19321 21654 10456 20000 16314 30916 28318 35960 urea 2316514 1229985 2909158 310579 1348040 1981749 1648656 2481946 1855865 2139711 2522159 1502706 uracil 6447 8431 6074 4134 4823 3985 8656 4924 4486 13623 13964 13990 tyrosine 347837 311382 324621 301976 289678 182598 395055 284167 343313 148868 150022 222429 tryptophan 546530 429668 498553 329140 371129 375009 609233 453926 425250 471430 454440 220082 trehalose 1949 2533 3707 1853 2635 2675 2543 2443 2232 3166 1784 2054 trans-4-hydroxyproline 35195 31609 30666 20488 16812 21114 20497 7946 22417 39601 43364 47435 tocopherol alpha- 15822 5834 9512 1980 2307 7186 12819 10039 7207 3488 4402 2204 thymine 2271 2509 3228 2480 799 1932 2658 1893 2747 5655 6140 9259 thymidine 4291 1813 4123 3559 2120 1843 3020 3339 3688 5196 9576 14230 threonine 254562 185533 151899 259472 232250 179518 126370 192679 125754 250637 231019 194004 threonic acid 21815 10961 14288 17980 13792 9303 12799 12066 11669 18318 19664 17458 threitol 2434 1384 2649 1522 2346 936 1898 2543 1176 1242 1466 1007 taurine 35260 65264 54903 24106 52886 6239 13815 45454 15869 86308 73605 114409 tagatose 20380 19917 17442 15072 19896 13691 27140 17460 15486 12769 12558 7089 sucrose 4494 1062 428 1143 589 13017 1145 668 1157 781 2377 442 succinic acid 10209 12294 10416 11473 9371 7929 10578 12178 6532 20828 21463 37439 stearic acid 1077853 1298541 1349218 1236849 882955 1974305 1820482 1126168 867387 1001771 1100962 876677 sorbitol 88973 27762 61863 38253 14050 32465 39595 21377 20773 30071 33237 19910 serine 272879 231536 203186 264462 239272 230405 204331 280630 195509 233157 219597 141124 ribose 15490 18001 11531 18379 12484 47009 22198 15918 18185 23866 1602 9519 ribonic acid 2295 1913 2293 1515 1966 1357 2996 2405 1962 1811 1741 1510 ribitol 3604 2587 2975 2968 3403 1507 3429 2711 2091 3219 3331 1583 raffinose 1525 801 440 2449 2987 674 1193 799 1111 457 556 463 quinic acid 580 586 535 485 564 1587 627 238 679 400 570 292 pyruvic acid 27095 27571 19845 36086 30291 5419 29642 12695 26487 19987 33263 26384 p-tolyl glucuronide 1206 801 683 1567 4330 1163 1697 2232 1781 3773 1733 2472 pseudo uridine 38309 29286 31710 23660 36684 11069 38674 37805 30992 29011 30900 28653 pinitol 2480 371 735 351 652 2267 806 254 580 379 542 348 phosphoenolpyruvate 4318 3333 2869 3929 6693 2906 1170 7768 2006 7901 8788 6833 phosphate 239495 234977 247387 351665 328424 221461 272039 208919 214227 249195 375225 325736 phenylalanine 142401 149248 131026 192459 195114 150595 141362 166599 126630 196560 179442 149403 pentobarbital NIST 74092 91569 78703 75990 88547 3744 105181 62174 74255 106323 102483 109370 pelargonic acid 93811 88891 170434 90778 76582 104551 128067 107950 63623 140402 141953 82634 pantothenic acid 1462 1038 1053 820 881 1299 1534 1220 1188 1053 1698 1955 palmitoleic acid 8552 11346 9464 4745 3501 19386 7198 6846 2919 4477 4792 7814 palmitic acid 375189 483541 454572 395405 260123 612386 520499 349561 211079 237592 278668 246439 oxoproline 913508 1035062 945865 931614 1058726 682433 625439 986686 704006 1247639 1402654 1510892 oxalic acid 5532 4192 5607 4818 4511 4026 5255 3892 3439 5881 4910 5724 orotic acid 1916 1603 1330 1954 2144 1177 2520 1754 2202 2376 2306 1564 ornithine 434675 1101368 434541 1276500 1012996 683122 556538 948410 839973 1442136 1460612 958606 oleic acid 52883 104085 71344 47698 2987 105431 81056 54738 27183 27258 22588 32339 octadecanol 1645 1499 2033 1324 1357 1396 3648 1523 2517 1595 1750 816 nonadecanoic acid 12155 12540 12440 13362 11004 11562 16423 10493 9721 6396 7623 8033 N-acetylmannosamine 1469 478 811 519 1088 769 1146 1053 1246 419 941 657 n-acetyl-d-hexosamine 3421 6028 2625 7377 5466 3163 3858 2998 3898 8679 6065 2840 myristic acid 8541 13633 9082 6074 1090 28148 11457 9699 6370 5599 4889 14584 myo-inositol 348290 134720 253173 181404 188988 82752 160396 179443 95442 217350 174031 107631 methionine sulfoxide 7992 8588 8082 15689 5656 10233 12114 11434 10971 7228 13012 7955 methionine 121822 108408 83261 175301 154482 78070 90236 113456 90647 53527 53926 41763 metharbital 7279 2498 1560 2284 2510 5838 4580 1829 3599 2551 4242 2011 methanolphosphate 13785 8323 9469 7585 10501 1833 6850 8993 10316 11811 11873 9732 mannose 227221 179545 192151 158055 161375 254557 233348 194513 166631 267612 309267 316718 mannitol 34816 17126 28365 18640 15562 18790 23022 3270 22698 8965 10802 13063 malic acid 15987 8610 10605 9115 9107 7383 12295 10900 7920 17111 18618 28184 lyxose 8010 8580 3560 5034 6440 2407 6182 6282 6155 8764 4741 4260 lyxitol 9380 7024 9533 12692 15115 3923 8580 10996 6233 7482 5907 4117 lysine 691183 400076 702463 746102 589870 723467 895250 584839 930415 592897 594541 501851 linoleic acid 69569 105234 76437 87023 37006 133525 110706 75586 37397 34172 32131 41397 leucine 809103 1051250 680348 1374187 1162970 1167226 825973 949094 1104842 919056 730696 763690 lauric acid 11379 6219 14928 5598 12967 40839 12789 12745 11518 8711 7203 16658 lactulose 46366 11147 5858 6201 6816 31333 6202 3439 5824 6809 6621 21608 lactose 3615 1693 2437 1866 2059 2113 2057 2223 1603 1568 1929 1638 lactic acid 3292611 2452028 2638624 1897226 2776187 1533138 3653900 2345632 2791762 3083207 3095993 3742703 lactamide 10806 6850 7388 6024 8843 5509 6462 6426 6247 11441 7736 9254 itaconic acid 104362 42228 61833 103665 34642 102017 91302 47620 56837 89383 68658 41359 isothreonic acid 8561 6258 6959 11378 7225 4800 7022 6173 6483 10053 11453 8485 isoleucine 267073 405448 272381 372569 380667 395309 271030 353422 374253 304717 278444 387724 isocitric acid 8398 8437 9339 6710 6675 3978 10196 7786 6173 8721 6879 3821 isobutene glycol NIST 13670 9320 12817 6791 11643 11066 10570 12321 8233 12073 13914 10787 indole-3-propionic acid 18309 17376 19713 9019 11178 11264 9803 11668 14658 6764 1905 990 indole-3-lactate 11219 11442 18443 11019 8452 9894 16688 10391 10543 7807 9033 16161 indole-3-acetate 9205 5702 7936 5732 5465 3383 8032 6697 5877 2996 2644 1364 hydroxylamine 117189 186598 272405 163252 160232 110738 313669 178407 345729 252553 231042 169554 hydroxycarbamate NIST 20518 17920 30548 18792 21461 11008 36889 22636 23813 18230 23485 23072 homoserine 2684 3868 1182 2866 4529 1397 2620 2837 1386 2029 1664 1118 histidine 59422 31850 64201 80430 79298 81697 49166 64226 100033 57208 64210 49652 hippuric acid 18297 15860 19267 9510 14154 6823 20917 13057 15076 6723 4435 2112 hexuronic acid 7458 5767 4945 3711 4602 3709 6015 5195 4430 3932 4295 4139 hexose-6-phosphate 475 533 4097 896 1321 563 784 3799 430 2734 3411 5191 hexitol 6428 1194 5624 1869 2425 1253 5107 3097 1993 3060 2892 2341 heptadecanoic acid 11217 23578 27296 25901 16449 28568 43409 23243 16805 13525 7428 13801 glycolic acid 11471 9945 14665 12072 14226 11424 11119 10124 8645 13701 12734 13848 glycine 266220 247295 216598 277413 270128 226804 203180 315477 176033 291395 261906 198982 glycerol-alpha-phosphate 153681 143009 96995 124209 60201 155416 297379 101045 40722 75973 73887 11361 glycerol-3-galactoside 3890 3871 3539 4910 5013 2013 4382 2621 4192 2037 1602 1797 glycerol 1258925 1495631 1247138 1180021 958823 1932758 1220241 1061250 599505 989415 1007914 1575899 glyceric acid 52564 68170 56395 87756 64944 45818 53069 38442 35675 65928 72071 58564 glutaric acid 795 722 269 433 342 518 1229 675 516 531 622 716 glutamine 237855 189311 186003 182799 191356 431484 665953 284789 595118 324586 290937 118769 glutamic acid 71999 64471 47708 75315 93263 47024 45440 69095 33468 144800 127889 38006 glucose-6-phosphate 387 405 448 600 1350 608 947 402 532 6892 11390 16483 glucose 833836 677903 628237 440038 489949 571309 734513 593357 477467 223726 276175 303633 gluconic acid 1984 1510 1456 663 1224 1263 1971 1456 1384 2082 2097 1304 fumaric acid 1377 1050 1572 1867 1269 1390 2173 975 1438 3491 2226 1126 fucose 12794 11063 11815 8943 10542 10487 11833 12442 9077 5346 10904 6425 fructose-6-phosphate 608 469 567 701 1309 594 1048 505 653 2299 3123 4844 fructose 13202 12128 11761 9300 12252 12731 15815 11624 8044 8345 7968 4538 ethanolamine 148250 189146 160032 161213 141767 122981 177763 140351 94958 121229 124973 122979 epsilon-caprolactam 10192 5293 6641 7499 5480 6012 4301 5948 3512 6973 7456 4887 dodecanol 1847 1634 2033 1774 1884 1752 2514 2292 1898 2024 2292 1748 cysteine 6287 6323 4382 5395 5281 1250 3241 3018 1667 3902 3946 6580 creatinine 40147 59985 34257 62660 48808 49776 25191 44017 19718 135363 111915 92639 conduritol-beta-expoxide 3477 2570 2769 2967 3057 2137 2097 1625 1333 2138 1586 1055 citrulline 33695 19193 38997 13025 29091 19368 22589 24320 23020 20597 21999 23024 citric acid 433390 401943 443958 310133 331644 207332 515365 389301 334931 412315 316420 245363 citramalic acid 4316 1669 4203 2297 1897 2210 2593 2562 1989 1715 3852 2374 citraconic acid 64752 29432 29044 59874 22786 59924 55102 38309 34438 50896 52248 25141 cis-gondoic acid 771 832 1250 919 537 1617 1515 1017 983 647 465 636 cholesterol 654091 338974 302096 433941 625233 364681 357790 338807 589402 799071 897534 808502 capric acid 5111 4190 5661 4579 4587 6039 4409 4847 3581 4899 5754 4115 butane-2,3-diol NIST 33635 26161 34332 17125 33374 20708 20505 32165 16055 32224 33478 21964 beta-sitosterol 6617 4828 4412 4918 10375 4535 5743 5692 11281 7304 7529 7575 beta-glycerolphosphate 888 1682 1406 967 1009 943 4675 1116 2106 735 972 358 beta-glutamic acid 6737 7914 10298 7456 8546 5429 6262 8872 6165 8635 8681 9110 beta-alanine 100644 80509 115108 94444 97178 84472 88626 97481 65584 101679 107875 63510 benzoic acid 72889 47625 8284 72643 99097 54314 40756 15427 28976 38685 36654 31676 aspartic acid 55127 46149 52651 80188 104079 58234 41233 77352 40198 139183 105041 27651 asparagine 6459 11234 12736 13328 14189 11739 12327 14427 12787 9398 8734 12510 arachidonic acid 161347 127117 180396 109736 61491 201563 209251 159398 69395 72454 62002 45530 arachidic acid 7954 5068 7136 7746 7163 9121 12964 9000 7823 5527 8165 3351 arabitol 10235 7024 9035 12551 14254 3964 10620 10152 6649 7482 5669 4117 aminomalonate 10564 1047 9987 9888 11778 7147 5299 13129 9689 7519 11965 8572 altrose 2267542 3671336 4878327 3582346 4196476 4185773 1545656 4305670 5153526 3373515 3507497 3202161 alpha-ketoglutarate 3524 4609 2182 5600 360 837 3899 2720 2609 8840 12186 3300 alpha-aminoadipic acid 2351 410 1707 2108 1326 776 2203 1429 1139 1775 2499 1087 allantoic acid 43063 41807 56080 54179 37865 39006 28288 43210 21104 30972 66633 38679 alanine 2536769 1951961 1599989 2222981 2113566 1534992 2099381 2278416 2148588 1644526 1562236 2234094 aconitic acid 1792 1626 2226 1748 2847 1779 3604 1972 3273 2261 1505 1157 5-methoxytryptamine 63112 31678 73934 20869 33082 45125 94309 39439 57872 15762 32071 9427 4-methylbenzenesulfonamide 1703 1702 1815 1411 1965 1658 1977 2236 2313 3762 2682 2295 4-hydroxybutyric acid 9055 9090 8306 7980 8228 7328 13705 9197 11716 10432 11201 8022 3-ureidopropionate 1218 2554 1361 735 1679 2929 2785 1931 851 3315 3660 4969 3-phosphoglycerate 466 439 428 1561 1049 315 1270 358 822 2874 4726 6593 3-hydroxybutyric acid 69919 42562 43266 40370 54981 261618 62971 84116 69312 94651 33679 86627 3-aminoisobutyric acid 39689 13471 17969 14632 13491 24007 25595 26380 23786 27901 20152 2855 3,6-anhydro-D-galactose 1986 1746 1812 1852 1761 1511 2205 1377 1786 704 1043 1055 2-hydroxyglutaric acid 2482 1113 1704 1536 1194 1113 1785 2117 883 1557 1594 1815 2-hydroxybutanoic acid 33904 36177 28925 29696 24833 37750 35492 42247 26543 33990 31384 177149 2-deoxytetronic acid 2430 2790 3498 3690 2853 2370 3174 4149 2615 2995 3006 2302 2-deoxypentitol NIST 1962 1753 1535 1742 2340 1044 2617 2232 1704 1775 1837 2039 1-monoolein 20444 2817 14816 11714 7142 13463 18770 22198 12786 6342 6876 12534 1,3,5-trimethylcyanuric acid 91011 71692 99674 82946 77645 76073 74095 88857 48503 64475 82384 69819 metabolite_name retention index quantified m/z PubChem ID KEGG ID InChI Key xylose 544100 103 135191 C00181 SRBFZHDQGSBBOR-IOVATXLUSA-N xylitol 567437 217 6912 C00379 HEBKCHPVOIAQTA-NGQZWQHPSA-N valine 313502 144 6287 C00183 KZSNJWFQEVHDMF-BYPYZUCNSA-N uridine 861508 217 6029 C00299 DRTQHJPVMGBUCF-XVFCMESISA-N uric acid 731038 441 1175 C00366 LEHOTFFKMJEONL-UHFFFAOYSA-N urea 329351 189 1176 C00086 XSQUKJJJFZCRTK-UHFFFAOYSA-N uracil 385816 241 1174 C00106 ISAKRJDGNUQOIC-UHFFFAOYSA-N tyrosine 671252 218 6057 C00082 OUYCCCASQSFEME-QMMMGPOBSA-N tryptophan 780482 202 6305 C00078 QIVBCDIJIAJPQS-VIFPVBQESA-N trehalose 948197 191 7427 C01083 HDTRYLNUVZCQOY-LIZSDCNHSA-N trans-4-hydroxyproline 484934 140 5810 C01157 PMMYEEVYMWASQN-DMTCNVIQSA-N tocopherol alpha- 1067809 237 638015 C00376 NCYCYZXNIZJOKI-OVSJKPMPSA-N thymine 420133 255 1135 C00178 RWQNBRDOKXIBIV-UHFFFAOYSA-N thymidine 349402 170 5789 C00214 IQFYYKKMVGJFEH-XLPZGREQSA-N threonine 408777 218 6288 C00188 AYFVYJQAPQTCCC-GBXIJSLDSA-N threonic acid 497572 292 5460407 C01620 JPIJQSOTBSSVTP-STHAYSLISA-N threitol 467595 217 169019 C16884 UNXHWFMMPAWVPI-QWWZWVQMSA-N taurine 556690 326 1123 C00245 XOAAWQZATWQOTB-UHFFFAOYSA-N tagatose 629499 307 439312 C00795 LKDRXBCSQODPBY-OEXCPVAWSA-N sucrose 912704 271 5988 C00089 CZMRCDWAGMRECN-UGDNZRGBSA-N succinic acid 370608 247 1110 C00042 KDYFGRWQOYBRFD-UHFFFAOYSA-N stearic acid 787622 117 5281 C01530 QIQXTHQIDYTFRH-UHFFFAOYSA-N sorbitol 667922 217 5780 C00794 FBPFZTCFMRRESA-JGWLITMVSA-N serine 395020 218 5951 C00065 MTCFGRXMJLQNBG-REOHCLBHSA-N ribose 553135 217 5779 C00121 HMFHBZSHGGEWLO-SOOFDHNKSA-N ribonic acid 599680 292 5460677 C01685 QXKAIJAYHKCRRA-BXXZVTAOSA-N ribitol 575497 217 827 C00474 HEBKCHPVOIAQTA-ZXFHETKHSA-N raffinose 1120886 361 439242 C00492 MUPFEKGTMRGPLJ-ZQSKZDJDSA-N quinic acid 632897 345 6508 C00296 AAWZDTNXLSGCEK-LNVDRNJUSA-N pyruvic acid 211668 174 1060 C00022 LCTONWCANYUPML-UHFFFAOYSA-N p-tolyl glucuronide 847531 180 154035 JPAUCQAJHLSMQW-XPORZQOISA-N pseudo uridine 813899 217 15047 C02067 PTJWIQPHWPFNBW-GBNDHIKLSA-N pinitol 622466 260 164619 C03844 DSCFFEYYQKSRSV-FEPQRWDDSA-N phosphoenolpyruvate 518184 211 58114173 C00074 DTBNBXWJWCWCIK-UHFFFAOYSA-N phosphate 345365 314 1004 C00009 NBIIXXVUZAFLBC-UHFFFAOYSA-N phenylalanine 537804 218 6140 C00079 COLNVLDHVKWLRT-QMMMGPOBSA-N pentobarbital NIST 605665 141 4737 C07422 WEXRUCMBJFQVBZ-UHFFFAOYSA-N pelargonic acid 399229 117 8158 C01601 FBUKVWPVBMHYJY-UHFFFAOYSA-N pantothenic acid 690887 291 6613 C12276 GHOKWGTUZJEAQD-ZETCQYMHSA-N palmitoleic acid 706508 311 445638 C08362 SECPZKHBENQXJG-FPLPWBNLSA-N palmitic acid 713809 313 985 C00249 IPCSVZSSVZVIGE-UHFFFAOYSA-N oxoproline 485935 156 7405 C01879 ODHCTXKNWHHXJC-VKHMYHEASA-N oxalic acid 260513 190 971 C00209 MUBZPKHOEPUJKR-UHFFFAOYSA-N orotic acid 586317 254 967 C00295 PXQPEWDEAKTCGB-UHFFFAOYSA-N ornithine 527113 142 6262 C00077 AHLPHDHHMVZTML-BYPYZUCNSA-N oleic acid 781527 339 445639 C00712 ZQPPMHVWECSIRJ-KTKRTIGZSA-N octadecanol 755409 327 8221 GLDOVTGHNKAZLK-UHFFFAOYSA-N nonadecanoic acid 822782 117 12591 C16535 ISYWECDDZWTKFF-UHFFFAOYSA-N N-acetylmannosamine 735323 319 439281 C00645 OVRNDRQMDRJTHS-ZTVVOAFPSA-N n-acetyl-d-hexosamine 746341 319 24139 C03878 OVRNDRQMDRJTHS-FMDGEEDCSA-N myristic acid 634414 285 11005 C06424 TUNFSRHWOTWDNC-UHFFFAOYSA-N myo-inositol 730022 305 892 C00137 CDAISMWEOUEBRE-UHFFFAOYSA-N methionine sulfoxide 589171 128 QEFRNWWLZKMPFJ-UHFFFAOYSA-N methionine 483560 176 6137 C00073 FFEARJCKVFRZRR-BYPYZUCNSA-N metharbital 574906 155 FWJKNZONDWOGMI-UHFFFAOYSA-N methanolphosphate 289520 241 13130 CAAULPUQFIIOTL-UHFFFAOYSA-N mannose 645856 205 18950 C00159 WQZGKKKJIJFFOK-QTVWNMPRSA-N mannitol 663215 319 6251 C00392 FBPFZTCFMRRESA-KVTDHHQDSA-N malic acid 463180 233 525 C00711 BJEPYKJPYRNKOW-UHFFFAOYSA-N lyxose 541086 217 439240 C00476 SRBFZHDQGSBBOR-AGQMPKSLSA-N lyxitol 573587 217 439255 C00532 HEBKCHPVOIAQTA-IMJSIDKUSA-N lysine 663483 156 5962 C00047 KDXKERNSBIXSRK-YFKPBYRVSA-N linoleic acid 777414 150 5280450 C01595 OYHQOLUKZRVURQ-HZJYTTRNSA-N leucine 346101 158 6106 C00123 ROHFNLRQFUQHCH-YFKPBYRVSA-N lauric acid 547906 117 3893 C02679 POULHZVOKOAJMA-UHFFFAOYSA-N lactulose 929908 204 11333 C07064 JCQLYHFGKNRPGE-FCVZTGTOSA-N lactose 935640 191 440995 C00243 GUBGYTABKSRVRQ-QKKXKWKRSA-N lactic acid 217657 191 612 C01432 JVTAAEKCZFNVCJ-UHFFFAOYSA-N lactamide 265698 232 94220 SXQFCVDSOLSHOQ-UHFFFAOYSA-N itaconic acid 386511 147 811 C00490 LVHBHZANLOWSRM-UHFFFAOYSA-N isothreonic acid 489385 292 151152 C00639 JPIJQSOTBSSVTP-GBXIJSLDSA-N isoleucine 359251 158 6306 C00407 AGPKZVBTJJNPAG-WHFBIAKZSA-N isocitric acid 616323 245 5318532 C00451 ODBLHEXUDAPZAU-ZAFYKAAXSA-N isobutene glycol NIST 229353 129 68410 BTVWZWFKMIUSGS-UHFFFAOYSA-N indole-3-propionic acid 732249 202 3744 GOLXRNDWAUTYKT-UHFFFAOYSA-N indole-3-lactate 764586 202 92904 C02043 XGILAAMKEQUXLS-UHFFFAOYSA-N indole-3-acetate 684929 202 802 C00954 SEOVTRFCIGRIMH-UHFFFAOYSA-N hydroxylamine 253158 146 787 C00192 AVXURJPOCDRRFD-UHFFFAOYSA-N hydroxycarbamate NIST 325318 278 16639161 DRAJWRKLRBNJRQ-UHFFFAOYSA-M homoserine 443878 218 12647 C00263 UKAUYVFTDYCKQA-VKHMYHEASA-N histidine 663739 154 6274 C00135 HNDVDQJCIGZPNO-YFKPBYRVSA-N hippuric acid 636836 206 464 C01586 QIAFMBKCNZACKA-UHFFFAOYSA-N hexuronic acid 673957 333 IAJILQKETJEXLJ-UHFFFAOYSA-N hexose-6-phosphate 806282 387 208 C02965 NBSCHQHZLSJFNQ-UHFFFAOYSA-N hexitol 704741 217 453 C00392 FBPFZTCFMRRESA-UHFFFAOYSA-N heptadecanoic acid 751309 117 10465 KEMQGTRYUADPNZ-UHFFFAOYSA-N glycolic acid 227636 177 757 C00160 AEMRFAOFKBGASW-UHFFFAOYSA-N glycine 368707 248 750 C00037 DHMQDGOQFOQNFH-UHFFFAOYSA-N glycerol-alpha-phosphate 590747 357 754 C03189 AWUCVROLDVIAJX-UHFFFAOYSA-N glycerol-3-galactoside 805227 204 16048618 C05401 NHJUPBDCSOGIKX-NTXXKDEISA-N glycerol 344466 205 753 C00116 PEDCQBHIVMGVHV-UHFFFAOYSA-N glyceric acid 377495 189 439194 C00258 RBNPOMFGQQGHHO-UWTATZPHSA-N glutaric acid 419420 261 glutamine 600000 156 5961 C00064 ZDXPYRJPNDTMRX-VKHMYHEASA-N glutamic acid 529100 246 33032 C00025 WHUUTDBJXJRKMK-VKHMYHEASA-N glucose-6-phosphate 818275 387 5958 C00092 NBSCHQHZLSJFNQ-GASJEMHNSA-N glucose 678811 217 gluconic acid 693148 333 6857417 C00800 RGHNJXZEOKUKBD-QTBDOELSSA-N fumaric acid 390775 245 444972 C00122 VZCYOOQTPOCHFL-OWOJBTEDSA-N fucose 584895 117 439650 C02095 SHZGCJCMOBCMKK-FPRJBGLDSA-N fructose-6-phosphate 804279 315 440641 C05345 BGWGXPAPYGQALX-ARQDHWQXSA-N fructose 641863 307 439709 C02336 RFSUNEUAIZKAJO-ARQDHWQXSA-N ethanolamine 344719 174 700 C00189 HZAXFHJVJLSVMW-UHFFFAOYSA-N epsilon-caprolactam 353069 170 7768 C06593 JBKVHLHDHHXQEQ-UHFFFAOYSA-N dodecanol 507619 243 8193 C02277 LQZZUXJYWNFBMV-UHFFFAOYSA-N cysteine 500158 220 5862 C00097 XUJNEKJLAYXESH-REOHCLBHSA-N creatinine 502599 115 588 C00791 DDRJAANPRJIHGJ-UHFFFAOYSA-N conduritol-beta-expoxide 701723 318 9989541 ZHMWOVGZCINIHW-SPHYCDKFSA-N citrulline 621404 157 9750 C00327 RHGKLRLOHDJJDR-BYPYZUCNSA-N citric acid 617342 273 311 C00158 KRKNYBCHXYNGOX-UHFFFAOYSA-N citramalic acid 456203 247 1081 C00815 XFTRTWQBIOMVPK-UHFFFAOYSA-N citraconic acid 391063 147 cis-gondoic acid 847372 367 5282768 C16526 BITHHVVYSMSWAG-KTKRTIGZSA-N cholesterol 1078536 129 5997 C00187 HVYWMOMLDIMFJA-DPAQBDIFSA-N capric acid 451790 229 2969 C01571 GHVNFZFCNZKVNT-UHFFFAOYSA-N butane-2,3-diol NIST 205778 117 262 C03046 OWBTYPJTUOEWEK-UHFFFAOYSA-N beta-sitosterol 1128225 129 222284 C01753 KZJWDPNRJALLNS-VJSFXXLFSA-N beta-glycerolphosphate 574470 243 2526 C02979 DHCLVCXQIBBOPH-UHFFFAOYSA-N beta-glutamic acid 486696 160 BBJIPMIXTXKYLZ-UHFFFAOYSA-N beta-alanine 435564 248 239 C00099 UCMIRNVEIXFBKS-UHFFFAOYSA-N benzoic acid 339067 179 243 C00180 WPYMKLBDIGXBTP-UHFFFAOYSA-N aspartic acid 480387 232 5960 C00049 CKLJMWTZIZZHCS-REOHCLBHSA-N asparagine 553078 188 6267 C00152 DCXYFEDJOCDNAF-REOHCLBHSA-N arachidonic acid 834339 91 444899 C00219 YZXBAPSDXZZRGB-DOFZRALJSA-N arachidic acid 856421 117 10467 C06425 VKOBVWXKNCXXDE-UHFFFAOYSA-N arabitol 570685 217 94154 C01904 HEBKCHPVOIAQTA-QWWZWVQMSA-N aminomalonate 455754 218 100714 C00872 JINBYESILADKFW-UHFFFAOYSA-N altrose 651039 157 GZCGUPFRVQAUEE-ARQDHWQXSA-N alpha-ketoglutarate 507392 198 51 C00026 KPGXRSRHYNQIFN-UHFFFAOYSA-N alpha-aminoadipic acid 573295 260 92136 C00956 OYIFNHCXNCRBQI-BYPYZUCNSA-N allantoic acid 726050 259 203 C00499 NUCLJNSWZCHRKL-UHFFFAOYSA-N alanine 243971 116 5950 C00041 QNAYBMKLOCPYGJ-REOHCLBHSA-N aconitic acid 586815 229 643757 C00417 GTZCVFVGUGFEME-IWQZZHSRSA-N 5-methoxytryptamine 864466 174 1833 C05659 JTEJPPKMYBDEMY-UHFFFAOYSA-N 4-methylbenzenesulfonamide 609097 228 6269 C14412 LMYRWZFENFIFIT-UHFFFAOYSA-N 4-hydroxybutyric acid 325027 233 10413 C00989 SJZRECIVHVDYJC-UHFFFAOYSA-N 3-ureidopropionate 554966 161 111 C02642 JSJWCHRYRHKBBW-UHFFFAOYSA-N 3-phosphoglycerate 610734 227 724 C00597 OSJPPGNTCRNQQC-UHFFFAOYSA-N 3-hydroxybutyric acid 278632 191 92135 C01089 WHBMMWSBFZVSSR-GSVOUGTGSA-N 3-aminoisobutyric acid 452655 248 64956 C05145 QCHPKSFMDHPSNR-UHFFFAOYSA-N 3,6-anhydro-D-galactose 588886 231 16069996 C06474 WZYRMLAWNVOIEX-BGPJRJDNSA-N 2-hydroxyglutaric acid 506306 247 43 C02630 HWXBTNAVRSUOJR-UHFFFAOYSA-N 2-hydroxybutanoic acid 258161 131 440864 C05984 AFENDNXGAFYKQO-VKHMYHEASA-N 2-deoxytetronic acid 433456 189 150929 DZAIOXUZHHTJKN-UHFFFAOYSA-N 2-deoxypentitol NIST 521785 231 249377 ZDAWZDFBPUUDAY-UHFFFAOYSA-N 1-monoolein 952623 129 5283468 RZRNAYUHWVFMIP-KTKRTIGZSA-N 1,3,5-trimethylcyanuric acid 416269 171 AHWDQDMGFXRVFB-UHFFFAOYSA-N