Metabolite_name RefMet_name CP_control_1 CP_control_2 CP_control_3 CP_control_4 M_control_1 M_control_2 M_control_3 M_control_4 CP_isoprenaline_1 CP_isoprenaline_2 CP_isoprenaline_3 CP_isoprenaline_4 M_isoprenaline_1 M_isoprenaline_2 M_isoprenaline_3 M_isoprenaline_4 Factors - Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Isoprenaline Treatment:Isoprenaline Treatment:Isoprenaline Treatment:Isoprenaline Treatment:Isoprenaline Treatment:Isoprenaline Treatment:Isoprenaline Treatment:Isoprenaline 10-hydroxygeraniol 138245 138128 166818 210732 61524 45919 52034 44140 151784 178006 222778 207780 58775 56758 43898 44962 1(2H)-Isoquinolinone 76869 76630 104480 83895 120656 159077 159953 125770 140407 136331 93787 101759 181693 119912 123225 158490 13-14-DihydroPGF-1a 331443.7500 360714.9688 153418.4688 94071.9453 407320.1875 104336.4219 160269.4063 141467.4063 1_4-Lactone gamma-Butyrolactone 42764 216264 253259 213580 247117 68103 45818 58696 242353 255770 181849 208383 1-(5^-Phosphoribosyl)-5-amino-4-imidazolecarboxamide AICAR 580638.6250 513764.5625 550449.0625 460635.3750 308253.8438 453781.5000 313826.0938 298085.5625 1_9S_11R_15S-tetrahydroxy-13E-prostaene 176953.3906 138017.7969 161892.8281 166697.9531 33406.8438 6630.8247 8224.6465 158019.4063 168720.1875 159086.1563 169783.2969 7798.0508 25297.7578 21256.0078 27047.9551 1-Methylhypoxanthine 1-Methylhypoxanthine 198500 206617 250353 181891 308592 345237 301490 297229 358592 274322 268216 229675 355813 324875 304360 297902 1-O-Methyl-myo-inositol 30581 58522 23165 75175 86031 100801 113291 54960 47476 48842 61930 52557 114350 78420 76870 59605 (1S_3R_4S)-3_4-Dihydroxycyclohexane-1-carboxylate 155134 128807 151326 157052 62767 76482 64207 63244 186129 163852 173237 156324 66899 61938 59974 57668 (1S_4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate 130830 54739 170665 115669 31006 35578 38448 26634 113997 99014 155212 149779 38807 30612 25102 35730 2_3_5-Trihydroxytoluene 2,3,5-Trihydroxytoluene 82385 97749 86924 75351 10829 6527 5980 6727 111155 91094 118461 121397 5755 5770 4518 5141 2^_3^-Cyclic UMP 2',3' cyclic UMP 103695.0234 104991.8672 145754.7031 59748.4766 11324.9346 19198.6152 10020.2207 11076.2461 164322.0469 115704.7031 158608.2813 89313.2734 20305.6484 8938.2383 23549.0996 10151.5059 2_3-Dihydroxycyclopentaneundecanoic acid 394640.7813 353555.1875 556137.0625 476025.5000 10194.1113 9244.5527 17969.7910 471317.7813 491612.8438 529943.6250 487469.1875 25402.7773 10602.1826 7699.1572 10000.2236 2_3-Dimethylmaleate Dimethyl maleate 1450636 1614471 1744629 1752985 321852 363972 404779 212401 1998724 1675171 1762749 1914594 427008 266894 366136 314720 2_5-Dioxopentanoate 407881 456334 370854 378290 33244 35052 35162 31208 512044 478469 421936 491702 36775 30432 31128 30581 2-6-10-Trimethylundecanoicacid 12283382 11555720 6476950 16590310 5751757.5000 6588263 7302686.5000 4977877 9862415 12884435 12321624 13670839 8417625 5402632 6174001.5000 6376836.5000 2_6-Dimethoxyphenol 193456 212127 180403 173353 14428 10935 6934 182136 180332 206812 248194 8640 15538 5842 2_7-Anhydro-alpha-N-acetylneuraminic acid N-Acetyl-2,7-anhydro-alpha-neuraminic acid 863095.9375 403036.7500 940992.1875 645057.8750 82365.6016 100216.3750 112931.5078 106074.4531 940080.8750 630281.1875 1056201 973257.6875 111185.8125 101572.6484 93994.7734 100094.8125 2-Acetolactate 2-Acetolactate 392733 231465 370581 344246 36222 26267 24495 19687 327220 284605 446855 393487 27438 23197 21886 22723 2(alpha-D-Mannosyl)-D-glycerate 2-(alpha-D-mannosyl)-D-glyceric acid 1096824.7500 676117.8125 748552.8125 698944.1875 61414.1133 41391.7266 62475.5859 65859.0859 1098815.2500 1151551.5000 1029542.4380 893076 64890.0664 38721.6289 56394.5391 73562.4141 2-amino-3_7-dideoxy-D-threo-hept-6-ulosonate 130538 43364 179118 123616 115653 97239 167723 148306 2-Butenoate Crotonic acid 72499 59501 81475 52034 244588 289965 230627 234710 97990 157721 58217 71812 242353 260354 181849 235893 2-Butyne-1_4-diol But-2-yne-1,4-diol 155535 209684 220155 209251 22174 18580 19982 23169 279934 222631 267397 243153 24915 24511 23842 19819 2^-Deoxy-5-hydroxymethylcytidine-5^-diphosphate 155285.7344 104804.2734 185707.8125 130990.4688 152936.9844 126623.5078 184973.7344 162669.9375 2-Ethylhexyl phthalate Monoethylhexyl phthalic acid 7527627.5000 5819674.5000 8689822 7878628 942696.1250 981271.1250 1191781.2500 992308.8750 11676584 9533452 12472175 11221769 1077230.1250 1144980.3750 876194.0625 966130.2500 2-Furoate 2-Furoic acid 629924 452034 489574 671063 28393 21388 18359 25551 585352 481171 533759 512369 34151 25136 18985 22136 2-Hydroxy-2_4-pentadienoate 2-Hydroxypenta-2,4-dienoic acid 453456 486409 480606 383808 2792185 3370428 2315033 2814489 873062 873365 597697 554322 3084014 3426722 2388383 2752679 2-Hydroxy-6-oxonona-2_4-diene-1_9-dioate 108166 60449 112110 96674 135462 90769 98549 127545 2-Hydroxyethanesulfonate 2-Hydroxyethanesulfonate 147376 101734 132630 106335 104819 161044 125708 111542 161118 154914 110858 106861 137792 125325 123636 123763 2-Hydroxymalonate Hydroxypropanedioic acid 80493 111899 73480 68642 28545 32322 32918 28287 80498 88585 75127 57925 28485 23780 27949 33277 2-(Hydroxymethyl)-3-(acetamidomethylene)succinate 185095.7188 126234.5547 185647.8594 134871.7031 225773.4531 148519.2188 180037 144317.3281 2-isocapryloyl-3R-hydroxymethyl-γ-butyrolactone 628268.4375 525033.8750 605625.8750 587313.1250 29586.2344 27231.9863 47190.9688 46774.5703 664270.4375 599272.0625 616147.1250 827206.1250 30870.2910 37738.5664 51550.1523 27592.2441 2-Isopropylmaleate Isopropylmaleate 2613862 2584280 2738966 3008578 230486 196856 173600 238231 3167579 2623875 2772292 2787686 220401 240159 294472 117671 2-Octenedioicacid 2-Octenedioic acid 1342236 1490843 1545517 1786787 131823 211309 89981 80425 2010662 1394249 1777819 1695052 192619 94524 161989 141923 2-Oxoadipate Oxoadipic acid 596682 512732 603215 499711 10936 11090 8985 8617 651877 583357 533830 668932 11725 10332 9327 10550 2-oxobut-3-enanoate 358172 174870 357646 329275 13754 10495 6712 5609 384689 374606 526172 436624 11432 7025 11289 6003 2-Oxobutanoate 3-Methyl pyruvic acid 1756741 1041953 1898502 1872737 1950009 2237679 1639716 1865419 1866109 1407589 1880683 1744474 1990764 2272211 1600650 1765299 2-Oxoglutaramate 2-Keto-glutaramic acid 172453 57678 150190 113970 20039 27654 24470 23658 163975 114594 125319 98781 19447 19183 23338 24899 2-Oxohept-3-enedioate 96816 69194 106083 90126 93022 108666 98230 105967 2-oxosuberate 2185413 1665994 1593073 1797813 25119 25543 25072 21771 2140449 1959080 1758569 1817265 29228 21611 98721 28754 2-Phosphoglycolate Phosphoglycolic acid 47588 65107 47594 46988 52068 53173 46266 39439 (2S)-2-Isopropyl-3-oxosuccinate 2-Isopropyl-3-oxosuccinate 1697087 1348767 1656290 1720136 20424 18124 20477 17269 1751926 1623704 1794805 1971825 23313 10966 16618 17452 (2S)-2-Isopropylmalate 2-Isopropylmalic acid 129376 69386 106250 85503 24362 14185 13747 11045 75746 100371 96313 51583 21503 13095 10373 15075 2S-Hydroxy-2-isopropylbutano-3S-lactone 2S-Hydroxy-2-isopropylbutano-3S-lactone 318109 305566 227212 205422 84594 55541 56145 55856 262207 220596 280213 282854 66319 67256 55486 53798 3_5/4-Trihydroxycyclohexa-1_2-dione Oxoadipic acid 300970 206712 275365 260076 11792 318230 310348 318476 345400 10832 3-Acetyldihydro-2(3H)-furanone 389160 441094 307850 365123 100921 131572 31185 105391 377774 382589 453705 431813 105638 63251 52583 132381 3^-dAMP 169850.2031 49866.8398 99503.2891 76207.5625 169778.1406 96417.2656 225833.5625 188814.9531 3-deoxy-D-galactose 3-Deoxygalactose 85953 72633 82363 70444 183557 184104 181431 166315 104180 109462 81490 72433 185291 181917 191485 172297 3-Ethylmalate 3078023 1163051 3174862 3880022 2055397 2364350 1907553 2150115 2785293 2648056 3822082 4126718 2222625 2331411 1741850 2059862 3-Hexenal 3-Hexenal 1875531 1908557 2050598 1521041 4182 5171 4734 5337 1983187 1589229 1968897 1929384 6543 5865 5386 5753 3-Hydroxysebacicacid 3-Hydroxysebacic acid 1489206.8750 1307842 1659744.5000 1327750.2500 44479.6562 11692.0254 14859.9326 13710.8662 1818401.1250 1478484.6250 1566982.3750 1441237 23845.4863 16381.6846 16330.3789 17142.1719 3-Hydroxytetradecanedioicacid 3-Hydroxy-tetradecanedioic acid 197504.0781 182311.5625 222874.4375 250646.2344 16842.4824 15588.1231 251277.1563 217100.1250 272723.5313 279340.7813 17055.1152 3-Indoleglycolaldehyde 372000 381948 483776 338871 373786 316333 273453 370523 3-Methoxy-4-hydroxyphenylacetaldehyde Homovanillin 178663 174930 195049 154514 81205 83576 131690 83035 202634 165219 168973 190823 128763 80134 68500 87378 3-Methyleneoxindole 3-Methyleneoxindole 199893 130065 161680 169586 38812 54148 52887 35410 180406 161595 132419 136552 50047 33589 47157 46594 3-oxopimelic acid 214460 224877 219010 247309 20696 19115 19516 17617 253157 183217 276230 243066 17644 13910 19037 17999 3-Oxopropanoate Malonic semialdehyde 89957 138427 106318 195272 257305 276447 216051 239599 95534 174187 134798 130479 262431 273721 236760 235441 3^-Phosphoadenylylselenate 3-Phosphoadenylylselenate 425057.5938 391897.7813 417551.9688 419808.8125 378898.6250 411559.1875 370006.5000 365629.6875 3-Phospho-D-glycerate 3-Phosphoglyceric acid 8944797 13271882 7010620 4882133 34447 33737 30448 32546 6902281 5037406 6299744 5330525 34957 41698 43488 33946 3-Phosphonopyruvate 461200 47536 783123 779971 1052703 733361 1044478 1315454 (3S_4S)-3-Hydroxytetradecane-1_3_4-tricarboxylate 265377.2500 266747.2188 287964.5938 250322.7813 349273.0625 286545.6563 308625.1250 319844.1250 3^-UMP 3'-UMP 121648.1328 115734.5547 169601.5625 126298.6719 148096.6094 139534.7188 162243.1406 137166.6719 4-Amino-2-methyl-5-phosphomethylpyrimidine 4-Amino-2-methyl-5-phosphomethylpyrimidine 1659140.2500 1756361.7500 1392372.6250 1123746.6250 243552.3594 264771.9688 232496.6875 201215.7813 2776062.5000 2958313.7500 1440357.6250 994236.5000 199029.0156 259273.5156 202698.1250 217842.7344 4-hydroxy-5-methyl-2-propyl-3(2H)-furanone 892539 1018635 663900 687117 32899 77501 37635 27050 812412 745332 940048 1003597 32225 34845 27969 49354 4-Hydroxyphenylglyoxylate 615188 572388 582338 571463 661668 627133 464349 612604 616814 558068 596656 606742 639337 680875 622133 638476 4-Methyl-2-oxopentanoate Ketoleucine 8102043 8069063 8045700 9243180 231876 308771 353640 296986 10548587 8697939 7791616 8911789 225957 275531 233036 266368 4-Methylpentanal 4-Methylpentanal 733367 803737 766544 446107 404526 224296 217960 249386 1046525 653785 587044 491739 283079 199793 212166 125707 4-Nitroaniline 4-Nitroaniline 171289 397574 240074 319659 210592 391561 431668 313080 382843 404938 219491 300272 847337 365715 293491 265012 4-oxo-4-(3-pyridyl)-butanoate 4567718 4160500 4989877 3498316 6819738 7465313 7068346 6698317 6106083 4931330 4263308 4024481 7214454 7011884 6593611 6900191 4-Phospho-D-erythronate 698769 453407 912987 529673 781400 607330 771027 634728 4-Pyridoxate 4-Pyridoxic acid 66982 65842 68758 26477 160765 173766 183408 155068 84613 92042 65572 38016 168714 154786 140838 142307 5_6-Dihydrothymine Dihydrothymine 16899 19968 11719 11989 124527 81654 100704 100633 21446 14387 12941 11831 102425 93712 105251 65127 5_6-Dihydroxy-3-methyl-2-oxo-1_2-dihydroquinoline 376483 274102 316627 337887 242057 267474 269944 209161 361177 316467 231875 323595 311835 178861 249413 249052 5-Acetamidopentanoate 5-Acetamidovaleric acid 1270289 864960 1161648 1059837 141107 204199 372311 257301 2053530 1362738 1202406 948906 134204 141868 252263 245694 5-Aminolevulinate 5-Amino-levulinic acid 12233 25356 24188 18849 157428 300564 206555 221738 36442 19056 22926 18974 230689 283840 200641 259348 5-Hydroxyconiferaldehyde 5-Hydroxyconiferaldehyde 107482 171252 131585 142408 118337 108703 117415 120754 195138 156112 137241 163221 139776 121534 113617 118850 5-Hydroxyferulate 3232905 4970391 2859324 2558558 91861 133844 79585 76288 3330100 2947535 2317020 2239938 91875 77636 84772 117737 5-Hydroxypentanoate 5-Hydroxyvaleric acid 1244256 1073286 1214591 1028541 1121862 1051304 1150412 886183 1840282 1570538 1300225 1097972 1045787 1186732 1150534 1010222 5-Oxoproline Pyroglutamic acid 18450800 13257875 18710332 11838234 38990012 48455184 41640480 38709984 20893008 24101442 16351285 16989754 45327120 42121984 40982048 46496208 5-Phenyl-1_3-oxazinane-2_4-dione 281847 254934 348872 361036 428519 373056 476946 359177 450704 445548 409296 387592 384842 327526 299350 362791 5^-Phosphoribosyl-N-formylglycinamide FGAR 194357.6563 150519.7031 212070.4219 126411.2031 42066.8945 64084.9297 43544.8203 113035.1094 5-Pyridoxolactone 5-Pyridoxolactone 199551 181484 181514 176778 210199 240250 191268 193842 215969 185956 195677 183184 215070 211696 197118 215738 6-Acetamido-2-oxohexanoate 2-Keto-6-acetamidocaproic acid 95073 172852 130496 92028 5023 11458 9039 24479 216086 136408 86614 50403 13132 8208 9974 12567 6-Methylpretetramide 6-Methylpretetramide 4162668.7500 1943495.7500 5943209.5000 6395013.5000 4976422.5000 4904072.5000 4719230.5000 4944683.5000 6-Phospho-D-gluconate 6-Phosphogluconic acid 1500335.5000 1068206.5000 1881702.3750 2928879.5000 7231.5762 5256.4805 2823140.2500 2673539 1809719.5000 2286748 7_8-diketopelargonate 405293 443895 340533 386349 33802 29055 25928 34158 333276 344269 393596 438037 26747 39002 39669 29509 7_8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-D-ribitol 5^-phosphate 694179.5625 380402.7813 616403.5000 638822.3750 781382.8125 626995.6250 787771.6875 605558.2500 7E_9E_11-Dodecatrienyl acetate 7E,9E,11-Dodecatrienyl acetate 140429.2031 102524.5469 166684.0313 137289.8750 116096.9922 114180.2266 126685.9766 95599.3516 152075.2656 175784.5000 174041.0625 154515.6563 153937.7500 128075.7969 132071.0781 99836.2266 7-Prenyloxy-3^_4^-dimethoxyisoflavone 363588.9688 375797.4063 289231.2188 330508.0625 414184.1563 365157 439471.8125 415736.8438 8-Amino-7-oxononanoate 8-Amino-7-oxononanoic acid 3340324 5485548 3861176 3560184 750505 950829 832082 639108 4276936 4122606 3639218 3587410 931420 732325 601519 791219 8-Epiiridodial glucoside 8-Epiiridodial glucoside 205054.0781 285968.1563 277793.8438 287084.0625 334674.4688 300462.3125 214706.9688 376869.2500 8-Hydroxyguanosine 8-Hydroxyguanosine 96846.9219 86940.2891 115855.5391 45126.0234 180477.4844 108823.2266 81230.4297 55729.1523 8-Oxocoformycin 120891.3750 100346 133823.5938 119244.8594 138082.0469 152464.1406 169512.4688 132735.7500 237989.9531 160433.8594 167229.0781 168628.0781 201532.7656 160476.2500 187406.0625 188633.3906 Adenine Adenine 3202440 186178 5018022 2109307 20241 22376 17983 27034 5908786 3651927 5155764 4573785 18708 18110 21281 24481 Adenosine 5^-phosphoramidate 66633.5859 148327.6406 43754.1914 175976.9844 75825.9844 150881.4375 160978.7500 67038.7266 47399.5703 106073.4063 129468.3125 111542.0938 220413.1563 142561.3594 128866.4219 ADP ADP 7115808.5000 5004507 9357845 7194895.5000 37133.3242 21565.6562 9315871 7424568 12455313 8810057 Ala-Ala-Gly Ala-Ala-Gly 42404540 20910524 35711624 25350168 21084324 21843894 22083258 24043838 62098644 57843092 25356076 29266718 19275118 19788856 19507764 13838488 Ala-Gly-Ser Ala-Gly-Ser 20838.7188 16174.0859 107290.4375 120201.6094 115009.4453 145412.6563 20414.8906 17569.0664 38099.3828 19858.3340 132964.4688 120546.9297 108212.6797 98190.7344 Ala-Leu-Trp-Arg 91929.9922 133082.6250 104809.1250 45386.7773 276256.4688 257374.7344 246810.7500 234845.3750 187940.4531 138724.1719 65744.6562 71389.8281 282049.6250 228520.2500 225854.8750 239575.2188 Ala-Met-Phe-Asp 90682.6484 84384.6016 75961.5547 63270.3164 34349.7930 24644.4316 46853.4688 24601.2402 82544.8984 83477.8750 78329.1094 61202.2109 53995.0508 27969.7109 52021.3164 27388.2676 allylcysteine S-Allylcysteine 564482 593256 396315 158740 603324 283061 392977 408452 alpha-D-Glucosamine 1-phosphate Glucosamine 1-phosphate 1101932.6250 752884.3125 995752 884406.1250 45221.7969 61602.3164 39694.2266 50626.4688 1304595.3750 1059182.3750 1121851.8750 922538.8750 42982.7773 55732.3867 50502.3945 38571.0703 alpha-Irone alpha-Irone 440129 404374 438643 435144 1466363 1239040 1169794 1353088 470339 554740 466709 494996 1322369 1331712 1044335 1053628 Antiarol 164047 159683 157034 147481 10333 12308 18406 207570 154923 190059 216689 7514 Arbutin Arbutin 164767.9063 379950.0313 462393.9063 308088.6250 456078.9688 306686.8438 280540.6250 409451.5000 Arecoline Arecoline 340285 321080 297595 284775 602020 522361 521330 457461 427656 260597 215720 301044 582163 506240 515568 529972 Arg-Leu-Lys-Thr 194297.0469 195177.9063 170684.7969 210605.8594 199164.8281 197547.2969 206804.4531 191259.6094 Arg-Leu-Thr-Tyr 424928.6563 361467.7188 432369.4688 487371.7188 651584.1875 683860 618602.8750 631672.3125 441556.9688 397340.1563 437250.9688 451577.8750 387042.8125 350812.6563 350223.1250 599931.1875 Ascorbate Vitamin C 936371 258175 1097226 768420 6911 685057 569831 984856 1047043 14986 12081 Asn-Asp-Asp-Pro 378028.2500 239141.0469 407437.4375 334918.5000 504443.7188 380472.2188 307875.2188 391411.0625 Asn-Cys-Cys Asn-Cys-Cys 73623.1016 1586712 1300585.2500 1420269.3750 1563492.8750 97433.8281 70747.6875 1335388.2500 1783873.7500 1317936.2500 1441345.1250 Asn-Gly-Pro Asn-Gly-Pro 167682.9531 55599.3789 185118.0781 124510.3672 148908.7031 99382.5391 188475.6719 154810.9375 Asn-Lys-Ser-Ser 20386628 20732188 19753806 20723084 20586160 19629302 20701834 14457714 Asp-Gln Asp-Gln 278090.0313 399254.9063 313627.6563 325039.7500 303808.4375 281775.1250 322777.1875 305092.8438 ATP ATP 55035684 48439216 75230864 51791808 71742.7812 20820.4277 66690.9141 66447.9531 73331408 55745756 67859184 63811708 26037.9629 44112.6875 31260.8789 39622.2305 Aurin Aurin 211586.4375 151688.5000 89803.5781 32640.1543 178356.1563 135533.6875 66479.2031 50104.5625 bacteriopheophytin a Bacteriopheophytin a 165399.8594 1751676.2500 502962.4688 194224.1719 22903.5840 646782.8750 343373.9063 126139.7656 310403.5000 38914.2773 15635.6885 Bakkenolide A Bakkenolide A 217257.6875 292900.0625 255570.7500 291966.6563 564413.2500 465073.7500 473940.8750 530632.1875 301697.5000 289485.9063 246976.7656 239218.0313 535172.6875 424860.8438 438293.9688 402934.1875 Benzoate Benzoic acid 2351790 2331744 2341535 1835450 969087 1072993 996165 916518 2446819 2315460 2001723 2128502 1109144 1323128 854345 773825 Bergaptol Bergaptol 48312 65475 56134 53440 155129 162518 153883 200633 55501 46871 50422 68095 172313 140400 178330 169816 beta-Alanopine 94545 75231 144044 112273 9021 9850 8229 9173 132868 102000 80443 73733 7650 8155 9256 10666 beta-D-Fructose 2_6-bisphosphate Fructose 2,6-bisphosphate 1950253.8750 368589.4063 2015330.7500 758957 531802.6875 575071.0625 516296.1875 484252.2500 1531912.1250 661772.3750 1761991.8750 1296753.2500 518088.1563 509673.6875 487532.1875 524534 Biotinsulfone Biotin sulfone 185642.7500 79424.3906 126288.8594 78077.0859 143477.0313 152068.9531 103988.7969 87774.2969 Butanoic acid Butyric acid 314932 419355 332366 359693 305069 406124 347237 291845 356331 298799 344953 399396 240125 383904 370118 342180 Capryloylglycine Capryloylglycine 165972 261398 247492 165105 55002 60202 132603 60658 217891 312301 208682 226007 100893 100623 66167 54075 carbidopa 125455.4609 63869.4219 94305.6094 70436.3672 101251.2969 95972.1875 87614.3750 78906.3828 Carpacin Carpacin 118042 121112 132737 150316 16484 156339 144878 178335 175334 21894 CCCP CCCP 1191116 2641123 713449 403800 1216229 754754 457567 638524 CDP CDP 1171711.8750 847199.5000 1398201.6250 1146222.3750 1655783.7500 1176961.8750 1811597.7500 1319675.2500 CDP-ethanolamine CDP-Ethanolamine 4821437.5000 2721578.2500 5487636 3533058.7500 5471208 4426384 5973834 4776466.5000 Chelirubine Chelirubine 31871.6230 40129.8984 113176.8047 196748.2813 105397.5547 45037.3516 87872.5625 75837.6328 cis-4-Octenedioicacid 291008 91062 98083 131795 50123 52034 43483 41734 165512 109600 263777 91731 57387 39424 41363 43019 cis-Aconitate cis-Aconitic acid 3177890 4249160 3423949 4103609 318517 369740 402932 364851 5819879 4117945 3929565 4324024 391163 407007 415341 384337 Citrate Citric acid 65120608 62726508 76319560 78542640 5216911 5138408 5737049 5819784 94510736 84856936 83739984 89959480 5933866 6482181 5942875 5808995 CMP CMP 91222.5703 88531.7969 108269.4063 60443.2539 133093.5938 101567.8438 125717.1250 85246 CoA-glutathione Glutathionyl-CoA 391428.3125 176558.0313 375850 291691.0313 566941.8125 485071.2188 347469.1563 326571.3750 Crinasiatine 196731.9531 89073.3750 144630.4375 57361.6328 233356.6250 170748.3594 105740.5469 122844.7500 Cyclic ADP-ribose Cyclic ADP-ribose 7086329.5000 3559415 6806718.5000 5810949.5000 7942695.5000 6300261 7250235 6782022 Cyclohexanone Cyclohexanone 368545 405823 302816 336460 6930 10008 11235 8911 338678 291457 353604 408290 8903 10070 5318 Cys-Gly Cys-Gly 1195516 3046142 521440 56163 1482868 462860 257956 128754 dCTP dCTP 153539.6875 113903.5078 198944.4375 111041.5547 151360.9219 121058.5156 172302.9531 121206.0703 D-Cysteine D-Cysteine 972909 966543 995718 943123 929417 899353 960628 912204 Decanoic acid Capric acid 2009217 2242137 2148430 2258704 527899 525257 703206 499081 2440034 2511618 2340734 1991252 687185 631551 548941 446541 Dehydrophytosphingosine Dehydrophytosphingosine 131695.5313 56556.6992 92180.7969 98365.6172 14610.4981 36526.9102 16593.2773 24353.6230 72379.6250 142791.7656 115987.7891 189881.6406 31573.9277 13649.0342 23960.2188 22011.6875 D-Fructose Fructose 618957 259676 576047 450312 1202552 1348175 1272773 1203968 716309 542289 760922 620901 1288018 1277563 1214080 1251384 D-Fructose 1_6-bisphosphate Fructose 1,6-bisphosphate 3441099.2500 1467713.5000 11354690 4987790.5000 33432.3398 15280.5234 34197.2812 38006.9297 4286176 2412520.7500 3111754.7500 2791554 20654.1309 24326.8555 20495.5195 22087.0371 D-Fructose 6-phosphate Fructose 6-phosphate 4169795 3484740 3355263.2500 3795803 24072.2891 22129.5879 47534.2188 38655.4180 7487720.5000 5264267.5000 7462316.5000 5219922 37643.2852 25692.9082 34508.3672 20639.7520 D-Galactose Galactose 337972 198269 309968 583744 65260 98928 63463 56730 233746 263214 333948 327283 80162 68991 66110 68522 dGDP dGDP 4288236.5000 3698175.2500 6258872 4090137.7500 12292.0977 9231.8271 9173.3750 6043620.5000 4624573.5000 5828293.5000 5675104.5000 9396.2852 D-Glucarate Glucaric acid 371553 274172 395805 332573 37031 49690 30313 37236 474074 348429 445915 344174 28092 33911 32678 36234 D-Gluconic acid Gluconic acid 13298450 3902336 13306851 12367276 562812 680903 701156 574167 14585624 11031360 13426693 11610304 686649 645582 674616 653029 D-Glucose Glucose 841494 705295 648985 602781 11807368 14173534 11295908 12978447 1533993 1516780 789447 963889 12878890 13126504 10283416 11999586 D-Glucose 6-phosphate Glucose 6-phosphate 9058514 7560875 8947330 11607180 47975.3320 41738.9336 56759.4414 43843.8672 16370683 15995831 16576220 14866118 47363.9141 46756.8633 48943.6211 54737.1953 dGMP dGMP 1997070.8750 885584.7500 2761511 1415210 1519732 1288956.6250 2331187.2500 1719789.7500 Diacetylmonoxime 2,3-Butanedione monoxime 339364 1126996 389337 267284 15554 16865 14823 16049 629130 395208 247985 269241 19876 30407 19506 17166 Dichloroacetate Dichloroacetic acid 356526 181012 175994 342966 83942 387169 334844 411953 295251 523613 201049 323540 224442 Diethyl 2-methyl-3-oxosuccinate 4-Heptenal diethyl acetal 784229 726505 720061 1039023 12984 8622 13725 7507 898498 794507 1092913 1120934 34146 9412 21465 70103 Dihydrogenphosphate 1410172 1009366 1358244 1039682 1598041 1365495 1514797 1476465 dihydrothymidine 5,6-Dihydrothymidine 134696.7656 88578.7812 201542.0313 96779.8750 150390.1094 137555.7344 161266.3125 184347.5469 Dimethyl citraconate 1511036 1267288 1416171 1645852 41524 55348 54058 36780 1790149 1560479 1676680 1803606 28953 42521 32705 40755 D-myo-Inositol 1_2-cyclic phosphate Inositol cyclic phosphate 200788.0781 175802.0156 141509.1719 76447.1484 145434.0938 211469.2188 159471.7500 Docosanoic acid Behenic acid 460046.5313 556532.4375 331647.1250 483167.2500 285531.8438 412466.5000 477146.8750 246716.1875 482152.0938 560538 446234.7500 551868.1250 492858.9688 231108.5000 345512.7813 376864.2813 Dodecanedioic acid Dodecanedioic acid 162189.7969 168442.9844 266253.3438 234461.6250 74114.9297 55187.3203 145283.0156 51648.2188 287173.8438 279125.4688 197722.4531 258443.3750 41716.9258 67773.3203 59754.0664 72499.8984 Dodecanoic acid Lauric acid 18863860 31077326 17344936 30975500 13594610 15440682 24784750 9381272 28322576 32401866 34090480 31440928 21363708 11794869 12282862 16369855 D-Ribitol 5-phosphate D-Ribitol 5-phosphate 115833.4375 56377.4336 98945.5078 69309.5938 100776.7500 76505.8828 95628.4141 71072.1875 D-Ribose Ribose 60079 41727 116758 41081 446333 549172 434824 535115 90963 142914 61763 62515 586382 577451 441324 499862 D-Ribose 1_5-bisphosphate Ribose 1,5-bisphosphate 389424.2813 376491.6563 435628.9688 332481.6250 297089.2813 237157.7500 251908.4531 257938.7031 D-Sedoheptulose 1_7-bisphosphate Sedoheptulose 1,7-bisphosphate 221161.3594 201385.1719 764374.3125 439173.8125 362759.7813 283458.8125 225515.7969 218715.0313 D-Sedoheptulose 7-phosphate D-Sedoheptulose 7-phosphate 2722691.5000 2275655.5000 2527248.7500 2249555.7500 9646.3242 8519.4863 11460.1904 11748.8867 4784979 2995844.2500 5526798 3411913.7500 11166.1621 10331.2842 10514.0625 9584.0098 D-Sorbitol Sorbitol 279056.8125 187284.3594 344911.2188 173703.8906 9171418 10676460 9979672 9193672 372400.0313 265249.4063 285776.5938 244933.2344 10085275 9720124 10086204 9627761 dTTP dTTP 1593879.5000 1145472.6250 1960471.3750 1205660.8750 1972470.6250 1544818.2500 2021359 1804499.6250 D-Xylonate Xylonic acid 5471453 2176206 5236292 4046189 318038 370587 342150 339326 5484495 4200707 6521442 6208566 369578 328482 332044 326617 D-Xylonolactone D-Xylono-1,5-lactone 21904218 17839084 22180846 18957866 1696294 1568173 1902225 1637915 20539416 21169558 21035748 19680452 1729595 1750839 1732008 1699177 Embelin Embelin 706571.6875 597565.3750 631876.7500 626717.6875 826135.3125 804395.0625 784736.1250 789358.6250 866446.6875 613433.6875 624962.1250 600143.8750 828769.5625 792561.3750 829423.7500 878409.4375 Ethanolamine phosphate Phosphoethanolamine 28482564 18066664 31004914 23575828 43274 42778 55880 50512 34430912 24778174 30301784 29633668 44790 49873 57708 41730 Ethyl 2-methylbut-2-enoate Ethyl tiglate 2144561 1605987 1883715 2177303 70806 71688 85294 84129 2186805 2091007 2224374 2324475 89264 75721 71689 62472 ethyl-(2R)-methyl-(3S)-hydroxybutanoate 304296 294388 277622 407794 70636 57423 59996 41544 322307 314513 454798 310471 79137 63009 54499 53319 ethyl propionate Ethyl propanoate 453201 436751 387363 487613 184606 204781 200886 183409 510183 425897 485953 378135 260442 188579 168247 207697 ethylpyruvate 380062 369063 377193 417465 279009 405317 152335 345903 261472 213161 271238 288626 186005 174798 154903 455275 [FA (11:0/2:0)] Undecanedioic acid Undecanedioic acid 117921.6563 117480.8125 112988.2422 189573.5000 20309.9375 24204.1582 25234.5664 14649.2559 122822.8984 185301.4375 159489.0156 117062.1406 26114.9492 23516.8008 23851.9609 19233.8477 [FA (14:0/2:0)] Tetradecanedioic acid Tetradecanedioic acid 539152.6875 426027.9063 398236.7188 583003.6875 17707.3066 11824.2656 12363.9541 15949.4121 691555.9375 495158.2500 498408.0625 531411.8125 18589.6699 18161.3105 53249.1406 25658.2129 [FA (16:4)] hexadecatetraenoic acid Hexadecatetraenoic acid 110573.3594 98528.0078 104845.0156 113498.2500 142133.2500 142050.9219 148621.5781 146649.1563 105830.0547 97950.1328 53204.0703 60814.7656 123191.8516 139093.1250 129344.2422 131803.2344 FA (17:0) Margaric acid 3455194.5000 4496810 2195211 5056905.5000 2433945.2500 2938291.7500 3795312.5000 1847232.8750 3934617 4649220 3956900.7500 4594510.5000 3997700.7500 2099174.5000 2593592.7500 2882829.5000 [FA (18:1)] 9Z-octadecenoic acid Oleic acid 12170664 19147236 6498829 14005784 16932600 17276530 31020454 9792816 14378785 19442634 19063574 17726768 25657202 13556107 11874828 17908126 FA (20:0) Arachidic acid 2249060.7500 3205401.5000 1783751.6250 3121528 2322300.2500 2675314.5000 3652021 1477380.5000 2740373.7500 3656816.2500 3151894 3228831 3533717.2500 1787304.5000 1789300.3750 2416927.5000 [FA (20:1)] 11Z-eicosenoic acid cis-Gondoic acid 260931.6875 499089.3125 131865.9531 363709.9688 424975.5938 469761.8125 741856.9375 269268.9375 381134.6250 545423.6875 433053.1250 480410.6875 626945.6875 331874.9063 360309.8125 485522.8750 FA (22:0) Behenic acid 700022.5000 871387.2500 763657.9375 764911.9375 791373.1875 975975.7500 671808.5000 738712.1250 [FA (22:1)] 13Z-docosenoic acid cis-Erucic acid 40979.7227 216596.3906 54990.8164 323042.4688 73379.3125 50487.0391 158650.5469 347378.6563 238117.4844 346937.4688 556102.9375 109802.4531 53469.0586 75388.4688 [FA (25:0)] pentacosanoic acid Hyenic acid 79702.1016 184387.3594 41322.2305 114950.4531 71443.7500 65575.9141 75065.6875 57058.0117 106272.7656 95407.2891 88405.5469 82375.1953 64609.7891 21423.8887 30532.3691 39682.3164 FA (6:1) Hexenoic acid 567756 690383 531792 717613 17070 16100 13325 73742 697347 649460 667535 522891 11629 12584 64335 13561 [FA (7:0/2:0)] Heptanedioic acid Pimelic acid 3974358 3484863 4025077 3861025 1243788 1251394 1178294 1159812 4247397 3726006 3732035 3823006 1294007 1252198 1322011 1026304 FA (7:1) heptenal 38103 106744 69474 70307 151445 62802 65069 128338 [FA (8:0)] octanoic acid Caprylic acid 523318 391281 451914 584573 572406 513863 535773 644765 620244 442020 444375 533092 580514 511311 625745 552655 FA (8:0) octanoic acid Caprylic acid 3267054 3844959 3414683 3310486 1507293 1778419 1724239 1649270 3680584 3622734 3530788 3531992 1748444 2413111 1609408 1384869 FA (8:1) octenal 3946870 5428888 5566591 5478764 615749 111002 213243 179289 5686449 2661468 5406120 3240580 372909 83586 199074 83797 FA (8:2) Octadienoic acid 779824 718625 838101 955124 27757 26432 16125 28485 1051443 915401 955083 1135052 31906 27064 24990 25074 [FA amino(4:0)] 2-amino-4-cyano-butanoic acid 203644 175058 252098 277961 35440 32790 26237 28191 294050 308632 231635 269537 35613 31011 29973 26173 FA dioxo(10:0) 2658388 2473065 2873399 3249811 49308 59439 86559 32932 3554247 2926962 3197709 3520373 37664 65205 54633 53703 [FA dioxo_hydroxy(4:0/2:0)] 9_15-dioxo-11R-hydroxy-2_3_4_5-tetranor-prostan-1_20-dioic acid 712951.2500 734657.1875 641200.5000 666318.8125 751427.6250 681625.0625 854986.4375 801886.5625 FA hydroxy(10:0) 187336 225672 174665 210235 56985 42248 30029 39128 200569 223376 273006 211030 82981 35044 41432 29366 FA hydroxy(12:0) dodecanoic acid Lauric acid 82973.1172 80195 74910.8828 91435.7109 13308.8115 26562.3691 24258.7168 12607.4795 108853.5781 87093.4297 85220.1250 105094.8281 29041.6289 25667.9395 20271.1992 16936.6348 FA hydroxy(13:0) tridecanoic acid Tridecylic acid 93528.8750 53100.7148 106651.2734 96232.7734 26557.4121 12626.9717 33211.0039 13174.0029 120527.5703 106447.6094 94697.9922 119606.0234 51082.5938 12402.2529 17582.8320 10251.9561 FA hydroxy(16:0)] hexadecanoic acid 739888.3750 792059.9375 663738.8750 706984.2500 166173.8125 246804.7500 249113.4219 107626.4844 729357.5625 790923.5625 882124.9375 750400.6875 223728.1563 130791.1016 122856.5938 232714.9844 FA hydroxy(18:0) 698687.8125 884673 435249.9375 832949.4375 304586.0313 407412.1563 754381.6875 218979.2500 840225 919392.5625 1419470.7500 1224744 420154.3438 328004 196396.9688 443270.2500 [FA hydroxy(18:1)] 9_10-dihydroxy-12Z-octadecenoic acid 9,10-DiHOME 426648.9375 522128.2813 316354.6875 267849.9375 48613.9531 60713.4258 63340.1719 52876.7109 572258.8750 278084.5313 335978.8125 227314.6719 58654.5977 49581.0195 33285.0625 49483.3789 [FA hydroxy(18:2)] 13S-hydroxy-9Z_11E-octadecadienoic acid 13S-HODE 537774.0625 890659.6250 239494.0156 564733.8125 267847.6250 374300.1875 451755.8438 276711.4063 527643.8125 699832.0625 842978.5625 809881.3125 408256 237135.4844 282040.8438 346995.8750 FA hydroxy(6:0) 162370 171041 190673 172464 299245 241750 383353 452884 381402 375207 168220 168643 329929 374240 303330 397939 FA hydroxy(8:0) hydroxy-octanoic acid Hydroxyoctanoic acid 469082 531015 604545 441854 590372 448449 464866 485374 683280 509419 641924 605192 417066 499779 450104 585518 FA hydroxy(9:0) hydroxy-nonanoic acid 259441 393038 349019 430762 54533 48700 63027 42009 364397 415328 320951 268791 53704 48030 37618 36843 FA methyl(12:0) dodecanoic acid Lauric acid 665653 737840 536476 796399 174631 228861 314640 238015 681032 726511 639942 735080 325784 177318 188298 235549 FA methyl(14:0) dodecanedioic acid Dodecanedioic acid 178751.9688 343207.9063 339790 197104.4219 25243.8262 63571.5312 127468.6641 44794.1758 338816.0313 402124.8125 263335.3750 503834.9688 49068.9375 97464.9844 112277.6016 50060.1133 FA methyl(15:0) tridecanedioic acid Tridecanedioic acid 3096617.7500 3997097.2500 1568495.8750 176443.9531 16366.0205 20347.6426 49281.1289 13803.3369 3526642.7500 180532.6250 1093292.2500 145164.0156 23667.4551 13160.7363 21187.6133 13357.0957 FA methyl(18:0) 348993.4688 550988.5625 304472.6875 613198.3750 292816.5000 331882.8438 527417.7500 277484.9063 406778.5000 764454.6250 615801.9375 694818.2500 603747.6250 279411.3125 227789.9688 378614.3750 [FA methyl(4:1)] 2-methyl-2E-butenoic acid Tiglic acid 85029 25780 52963 107981 30961 57215 40922 44257 48488 59354 93407 76929 74005 63121 31380 46367 FA methyl(6:0) 1173957 1387933 1364585 1376611 386490 393564 377976 385397 1304271 1561677 1538149 1241144 423014 417278 391953 320647 FA methyl(6:1) 1876770 1877153 1617013 2192840 33162 61569 49105 37250 2792860 1948669 1877877 2227039 45315 48148 33489 74298 FA methyl(8:0) 5509704 5452718 4793050 5088958 1783448 1734695 1962959 1548685 5724960 5063352 5424800 5245448 2079212 1873774 1679403 1254364 [FA methyl_hydroxy_oxo(5:2/4:0)] methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate Butyric acid 603692.4375 563013.8125 518283.4063 541513.3125 8897.8447 645255.8125 551436.9375 651338.9375 691581.1875 FA oxo(16:0) 1591351.3750 1504265.7500 1137428.8750 1376753 538373.8750 564715.9375 960949.9375 421455.1563 1496024.1250 1425695.2500 1557061.2500 1693865 645263 442862.4688 468173.9063 570738.5000 FA oxo(7:0) 823773 755812 767675 880775 109784 89512 112198 99526 862552 901905 849316 891153 108981 141967 100848 107398 FA oxo(9:0) oxo-nonanoic acid Oxononanoic acid 753082 1142116 604288 762297 402578 543070 620141 318832 889219 1034863 1111352 993195 754625 413709 285958 472814 [FA trihydroxy(18:1)] 9S_12S_13S-trihydroxy-10E-octadecenoic acid 9,12,13-TriHOME 87534.5781 87369.1641 82349.9062 84381.4844 24201.8965 25212.7070 20773.5430 20972.0527 84373.1484 101390.8125 119276.9297 103372.1406 50655.7969 24152.5371 27678.6094 21153.5605 [FA trihydroxy(4:0)] 2_3_4-trihydroxy-butanoic acid Threonic acid 3497012 2034428 3989591 3173728 6323152 6160408 6739393 6341125 4540153 3667038 4823938 4423195 6978237 7033832 6384917 6231189 Ferulate trans-Ferulic acid 166344 193870 179061 155505 672830 566389 595382 471037 286657 132378 251071 148934 627967 567788 602057 585303 Formylanthranilate Formylanthranilic acid 199551 181484 181514 176778 447250 472583 427755 442440 215969 188351 195677 183184 469866 485648 425889 432463 formyl-isoglutamine 24465 52995 41583 44299 31628 51674 32486 54308 Gabaculine 18914 13044 21708 15159 68270 85866 73791 79415 45812 44861 42349 33477 77678 97418 87832 72120 gamma-L-Glutamyl-D-alanine gamma-L-Glutamyl-D-alanine 433776.1875 390592.1250 438442.4063 423268.1250 561825.9375 723575.8750 496923.4688 642885.6875 640491.3750 546583.6250 542154.2500 520054.0938 563627.5625 619935.1875 498964.8750 505288.5938 Glepidotin B Glepidotin B 184425.0625 108304.1953 159306.7969 127968.0703 208968.8906 447931.5625 216308.6875 208130.4375 130197.5391 226975.2500 116750.8516 95364.0703 394117.1875 207251.6250 355763.6250 363090.1563 Glu-Ala-Ala Glu-Ala-Ala 368895.5000 187897.4375 366291.1875 457638.1250 464563.4375 379147.5938 400345.5938 401677.4375 Glu-Asp Glu-Asp 975097.4375 575981.1250 1119923.3750 771649.6250 10082.0840 7928.6914 10437.4541 10878.3828 1136338.7500 895948.1250 1153509.2500 1048623.2500 20470.1289 16321.1133 20494.3516 11570.5303 Glu-Glu-Met Glu-Glu-Met 79842.1406 38440.9688 77580.6016 76885.6953 75112.5000 61889.8711 92395 102180.5391 Glu-Lys-Lys-Phe 268055.8125 364207.4688 380398.7813 293850.8438 605751.8125 768496.7500 570612.5000 681002.8750 358857.9375 290794.9688 360950.7500 322500.9688 751035.5000 642416.0625 759163.1875 712004.1250 Glu-Pro-Ser Glu-Pro-Ser 96214.4219 50074.7227 113333.5000 84569.5156 123589.0156 66025.1094 85165.1016 61005.7422 Glu-Ser-Thr Glu-Ser-Thr 283612.9375 193571.6250 276134.8438 187245.7500 259928.9375 263025.3750 250047.1250 285106.8125 Glu-Thr Glu-Thr 226935.7344 207145.4063 192566.6094 240970.4219 29489.4805 43168.0547 24381.3027 231373.3438 213505.1563 226069.8906 238397.7188 40436.9414 37803.0430 31121.2891 Glycerol Glycerol 119380 24669 71110 37282 41172 34145 56850 21663 42950 38161 41090 35812 43035 33711 31784 32634 Glycerone phosphate Dihydroxyacetone phosphate 12166247 7870645 12182191 8335134 109654 110888 142781 106496 11619062 8592257 11918775 10171365 126964 103929 127190 107271 Glycerophosphoglycerol sn-Glycero-3-phosphoglycerol 15799461 5363676 19094402 12302589 86446.7344 105550.8594 92936.5391 85141.1250 14924539 10865105 16608814 15268991 93898.9609 105641.2656 130064.0547 109803.1328 Glycyl-leucine Gly-Leu 42792 39268 55871 66063 10395 18296 9940 8835 50978 56435 69721 64767 10453 8514 8114 10242 Glycylproline Gly-Pro 250891 209610 213630 170856 18668 6295 11352 242186 223740 240703 226418 11256 7911 12160 Hexadecanoic acid Palmitic acid 195238368 241495776 126828416 236178176 205959744 214293280 328457824 136494240 206005584 274114720 285566208 263720032 320366752 168823856 163281904 222445824 Hexanoic acid Caproic acid 3562438 4495777 4325270 4018166 1072154 1116335 1135602 1300562 4577950 4477849 4538277 4182603 1322809 1482857 1196016 995111 His-Met-Thr-Pro 91628.5312 100821.6172 100957.3203 110320.5859 126000.2891 133726.7188 120570.1641 113794.2031 89730.0312 125717.0234 83515.2031 104524.6797 130021.8203 49351.1328 143517.1719 127579.1563 His-Phe-Trp-Trp 99854.9609 127400.1406 93318.2656 107347.5781 157714.4375 100747.3281 95839.0859 92286.3594 Homophytanicacid Homophytanic acid 60420.9570 107851.9297 37111.2227 53048.2227 67351.4766 69733.3047 54355.5352 94773.1406 86051.0781 112647.0156 56216.4492 85474.3203 homovanillate Homovanillic acid 2847300 2044645 3329750 2410781 791605 919026 1060496 870193 2907021 2268580 2667560 2180574 979600 816336 937319 875409 Hydantoin-5-propionate Hydantoin-5-propionic acid 412235 295128 530285 530481 703251 642502 467731 588293 hydrogen iodide 125770 161733 144316 142017 207765 408592 287750 216101 199071 235508 201151 156092 542875 360761 197855 713132 Hydroxymethylphosphonate Hydroxymethylphosphonic acid 202000 263853 158944 84967 173505 98291 225754 146815 Hydroxypyruvate Hydroxypyruvic acid 325242 267848 242508 255904 41332 48289 49730 31520 293607 304801 467420 277528 50384 35722 32668 41858 Hypotaurine Hypotaurine 300639 157240 251820 236029 358985 317323 492458 310266 Ile-Ala-Ser Ile-Ala-Ser 235690.9375 251921.9375 196580.2500 283890.3438 301061.5625 348756.7188 330225.1250 365255.3438 264767.3438 306855.5938 291999.2813 232658.4844 286393.5313 340015.2500 405940.0938 384249.4063 IMP IMP 205801.9531 237604.8125 303488.9688 299696.7500 125654.0547 139338.7969 161771.4688 156002.5469 Indol-3-ylacetyl-myo-inositol L-arabinoside Indol-3-ylacetyl-myo-inositol L-arabinoside 111239.2422 94215.2891 113418.2031 121891.1406 67605.8047 114915.0078 106607.7734 84894.2266 Indole Indole 28207 29094 24968 21407 45698 51776 35387 38858 44646 37553 30799 21651 56065 46912 45821 46885 Kinobscurinone Kinobscurinone 424209.8438 267126.4375 429349.7188 323327.5938 433632.8750 349845.4688 400744.1563 372165.2188 L-2-Amino-3-oxobutanoic acid L-2-Amino-3-oxobutanoic acid 54315 83402 52334 97035 30993 55427 33302 37723 74337 90766 81196 62663 44043 46457 31506 43847 L-Aspartate Aspartic acid 13933221 13222797 11335311 11173170 88676648 105385464 91239464 93997520 21957730 20131544 16051433 15768028 96112568 100974688 88354744 89374240 L-Aspartate 4-semialdehyde Aspartate-semialdehyde 416094 253047 366044 260514 40807 50962 56410 31324 364986 303689 408551 288753 43015 45251 35450 52529 L-beta-aspartyl-L-alanine beta-Aspartylalanine 656499 346846 602732 381769 40853 52229 52897 48528 772439 463381 665645 545233 46218 46729 58078 57997 L-beta-aspartyl-L-asparticacid 2947361.2500 1576253.7500 3046503 2263686.5000 28886.8184 24462.8301 31269.2090 27930.2500 2617494 2550121.2500 2959756.2500 2829649.2500 32088.1074 42226.7617 32494.7227 32071.7500 L-beta-aspartyl-L-glutamicacid 858255 196789.7969 1017001.8130 798162.7500 657503.8750 584604.2500 1201883.3750 1043610.3130 L-beta-aspartyl-L-threonine 277700.8125 170913.9219 267674.6563 194199.5000 36586.5898 60866.9336 34830.7695 37482.4219 319479.7188 264231.3438 334744.9375 270424.9063 47653.3711 39505.4453 40141.0469 39389.9258 L-Cysteate Cysteic acid 265203 231493 267867 177309 81008 85573 88144 52596 394311 252728 219790 157687 88742 21596 45023 30332 L-Cysteinylglycinedisulfide Cysteinylglycine disulfide 50275.1523 212490.4063 3103700 3516240.5000 3803408.7500 3442884.7500 22564.4902 54379.6992 4185021.2500 3521244.5000 3844603.5000 3675486.7500 L-Fucose 1-phosphate Fucose 1-phosphate 842218.6250 322639.6250 803521.1250 589645.8750 807050.3125 712894.2500 879409.9375 1061002.7500 L-gamma-glutamyl-L-leucine gamma-Glutamylleucine 136810.3281 95917.8828 121503.9141 115099.4609 172587.0625 135464.3750 128016.5391 123238.5313 L-Glycericacid Glyceric acid 99259 75286 133375 79648 5938 8926 10206 126260 118117 92171 79366 9183 9064 Linoleate Linoleic acid 11328504 19373064 5912903.5000 13437336 16465032 17103842 29092048 9708342 14233236 19785464 19474370 18047624 23230118 13153736 12212897 18974594 L-Leucine Leucine 12625667 12293489 14215871 8927845 29032960 30958332 29310416 28934816 21241190 17605172 14082652 12881407 30453830 31199356 27715708 28420812 L-Rhamnono-1_4-lactone L-Rhamnono-1,4-lactone 1342399 1087343 1012225 859402 2023306 2648293 1738321 2023370 2065928 574335 419936 520296 2147340 2368921 1676208 2037540 L-Threonine Threonine 931528.3125 809795.0625 1015199.8130 675229.4375 7395865 8422191 7486914.5000 7417401.5000 1151974.7500 975997 949645.4375 819587.7500 8075221.5000 8130508.5000 6768314.5000 7501992.5000 Lys-Lys-Lys-Trp 223449.1094 142856.5156 251947.6406 204968.5469 212757.0469 214292.5781 224588 226399 256563.1250 226384.2813 288419.1563 260013.1875 242093.5313 248099.2031 236035.7500 241646.5469 LysoPE(18:1) LPE 18:1 111197.4609 281221.5000 139076.5469 144350.6406 138577.3438 106706.5313 154582.0313 270986.8750 Maleamate Maleamate 656651 540342 801823 813788 56908 102752 65514 69928 865361 1039655 864888 1025198 81892 103356 95329 104765 Maleic acid Maleic acid 744230 1455732 606820 547170 1225322 1497553 1373995 1410880 755971 693629 654140 601683 1356850 1433963 1237543 1265561 MES Dimethyl sulfone 142717 151966 191636 144244 199026 152020 138622 142362 Mesaconate Mesaconic acid 276814 156998 215594 238378 31031 31672 29600 33040 228752 222006 240001 251741 31148 19927 57135 22983 Met-Asp-Pro Met-Asp-Pro 1051875.7500 1230130.1250 932595.5000 1030263.8750 1102895.5000 1191427.6250 940508.3125 1020573.8750 methanofuran biosynththesis intermediate MF1 89862.8984 78965.0703 131421.2656 75864.0859 77501.0078 31894.4785 72703.3359 85311.2188 methionol 3-(Methylthio)-1-propanol 197452 174354 184112 197914 328061 250999 144381 233812 Methylmalonate Methylmalonic acid 470099 321989 402052 427690 71500 59506 63498 50882 641991 395883 505687 452810 80872 53776 53407 70461 Met-Met-Met Met-Met-Met 1118508.5000 302799.8750 1477510 1136800.2500 969801.3750 641029.3750 1357978.3750 1603292.8750 MG(0:0/14:1(9Z)/0:0) MG 0:0/14:1(9Z)/0:0* 349428.9063 278030.1875 345245.5000 361262.1875 8464.2051 372647.6563 353554.7188 356275.4688 418250.3750 MG(0:0/16:1(9Z)/0:0) MG 0:0/16:1(9Z)/0:0 171218.0938 139945.3125 150605 137536.2813 165131.2031 152389.7188 147397.5313 164402.1875 Miroestrol 236433.0156 247615.5313 182644.5000 223613.6406 217307.7031 202199.8125 219506.9688 231121.9219 Myrtillin 396013.5000 480160.2188 339653.0625 329242.9063 542251.3125 487103.1875 262328.3125 263453.8750 N-(2_3-Dihydroxybenzoyl)-L-serine N-(2,3-Dihydroxybenzoyl)-L-serine 413388.1563 298888.0313 434444.8438 335477.8125 483905.6250 345990 426425.0938 337866.8438 N3-(4-methoxyfumaroyl)-L-2_3-diaminopropanoate 149302 81754 150544 77269 30168 47804 30570 37817 117945 94569 84260 53347 36399 40781 37255 45036 N4-(Acetyl-beta-D-glucosaminyl)asparagine Aspartylglycosamine 5051169 5569023.5000 4497329 5232212.5000 4993586.5000 5782071.5000 4369627 4623728 n-Acetylasparagine N-Acetylasparagine 133902 99896 131181 85707 22312 23437 14521 32947 139848 114317 126328 93183 13423 14161 13599 20148 N-Acetyl-D-mannosaminolactone N-Acetylmannosaminolactone 2371156.5000 1022142.0630 2650524.7500 1763060.5000 28279.6973 32011.0840 30797.3906 25266.7539 2587641 1849658.7500 2951937 2327642.5000 40773.0898 23957.5605 30187.9238 33405.5391 N-Acetylglutamine N-Acetylglutamine 192878 135592 194036 116670 27955 34182 39785 29717 230962 165637 187794 129884 37349 39457 29939 37826 N-Acetyl-L-aspartate N-Acetylaspartic acid 250551776 477480160 245918704 186375216 3972185 4346724 5189801 3990617 300597632 257112624 257765232 232020016 5492957 4959412 5197388 5222903 N-Acetyl-L-glutamate N-Acetylglutamic acid 29519958 9005987 28128746 23041204 330878 311663 405765 288342 20554890 19980566 33079650 29403862 334123 326592 398131 349817 N-Acetylmethionine N-Acetylmethionine 5799178 3842950 6067162 4034096 5818336 4996758 5411475 4484511 116389 N-Acetylneuraminate N-Acetylneuraminic acid 1043685.6880 506967.4375 1179909.6250 776940.2500 72397.4375 103976.8203 101118.8516 64966.7578 971014.6875 864189.7500 1013576.6880 863455.4375 101315.6094 80788.8281 97345.4531 95330.1562 Nalpha-Methylhistidine N-Methylhistidine 21083 238017 277166 249910 244932 25794 21183 36403 46321 268077 256398 253320 254877 N-Carbamyl-L-glutamate Carglumic acid 708774 501056 705425 565879 15071 14873 15831 13614 802601 671188 855384 692204 16629 23377 19851 18591 N-Formyl-L-methionine N-Formylmethionine 3688433 1983378 3923887 2856710 316734 211588 370609 265035 3848145 2832209 3586996 3450188 225515 368639 366557 248566 N-Glycoloyl-neuraminate N-Glycoloylneuraminic acid 80756.2812 107197.0234 87245.6328 113264.4844 120836.8516 111452.8906 104915.3906 108198.4688 N-hydroxy DAP 128121 32583 133090 84607 103758 83131 137362 103243 N-hydroxyisoleucine N-hydroxyisoleucine 115808 81662 107991 92516 18864 22245 19609 15691 112560 87381 110171 83691 19506 9556 18907 16216 N-Lauroylglycine N-Lauroylglycine 70818.6641 33618.0820 176015.7344 79794.7109 27897.6816 38535.8828 72878.7344 11118.6553 79341.3047 85387.0078 62601.9258 126499.1094 36473.2812 50348.0391 22940.8359 31845.6367 N_N^-Dimethylurea N,N-Dimethylurea 177542 167095 139121 169299 186282 93765 137479 177325 N-Nonanoylglycine N-Nonanoylglycine 483029 753231 1160722 521401 237491 236801 610348 306649 740841 602874 455108 704527 321458 374719 293170 240710 nonulose 9-phosphate Nonulose 9-phosphate 782378.8750 587217.4375 990169.9375 662415.4375 906529.7500 627120.2500 891681.3750 732831.1875 N-Undecanoylglycine N-Undecanoylglycine 379972.5625 673239.3125 1177150.1250 648213.6875 690643.2500 700211.8750 1019962.5000 615141.1875 935718.0625 1160204.1250 731936.6875 1573362.7500 926774.1875 697327.1250 565940.7500 678045.7500 O-Acetylcarnitine CAR 2:0 1237380 953782 1337368 1081396 105101 2135907 1045241 1639360 955438 114825 Octadecanoic acid Stearic acid 163672784 238018240 117687432 228005664 181110752 197398816 309263200 119642680 196109280 260124608 226562496 232377520 289730304 150276784 157597840 202901968 Octane-1_8-diol 225213 234962 215858 236741 220473 472526 154173 197015 octulose 8-phosphate Octulose 8-phosphate 1068696 746104.1875 1233362.7500 991799.8125 1265783.1250 892019.6875 1106048.2500 1026305.5630 Orotate(Fragment) Orotic acid 424513 135161 464324 287558 17761 22642 15338 14920 297801 275026 471022 359105 18490 18538 16075 16865 Orotidine Orotidine 3733891.5000 827043 3496888.2500 2261078 2553278.7500 2318151.7500 3679643 2846719 Orthophosphate Phosphoric acid 30198556 25151516 31837038 23942864 21996038 22900922 23860048 22247718 34732168 28302752 34297488 30214680 19434378 23911646 21497236 23670214 Oxalate Oxalic acid 190467 242004 162010 192308 236100 246654 251919 236636 190727 204450 174850 161201 261667 241122 247273 233255 oxindole-3-acetyl-aspartate-N-beta-glucosyl-beta-1_4-glucose 190820.2656 213221 225524.6094 233153.0625 207967.4688 212242.8125 195516.5938 243229.2969 Oxoamide Oxoamide 1198108 152181 1293339 978933 45727 54566 70492 62814 1509493 1157322 1113395 925761 62392 60717 60374 83618 Palmitoylglycerone phosphate 110573.1016 73174.1641 89430.8906 104811.5625 92370.2969 104216.1953 120543.4531 152069 PA(P-42:4) PA P-42:4 799153.3125 3118931.2500 705464.9375 698554.8125 287521.9688 275509.5625 240387.8125 261197.3125 1250935.7500 685753.1875 1260073.2500 2828152.7500 304989.7188 240883.5781 274393.1563 257520.5781 P-DPD 843522 319850 892266 507100 631673 459964 721451 665503 Phenol sulfate Phenyl hydrogen sulfate 619834 406005 713704 479400 260005 287510 255241 271353 567848 547394 417182 415613 290974 216997 228253 213193 Phenylacetylglycine Phenylacetylglycine 351542 246516 361843 367523 406408 520509 522414 415396 438467 407681 282117 318002 469140 393404 426188 528549 Phenylethyl alcohol 2-Phenylethanol 127678 135063 101316 122449 6190 5870 4852 108888 89121 123144 91126 Phosphodimethylethanolamine N,N-Dimethylethanolamine phosphate 3403139 7945762 3357326 3019105 9785718 4398500 4178485 3353760 Phosphoenolpyruvate Phosphoenolpyruvic acid 1852768 2382363 1246072 742769 28751 29764 35984 35208 1494512 1016253 1192841 737080 30830 27151 29999 34395 Phosphonoacetaldehyde Phosphonoacetaldehyde 3522536 2607107 3515510 2666559 3861778 3119679 3828049 3680019 Phthalate Phthalic acid 877490 953480 899178 838177 894200 946949 844806 818605 893740 901210 852420 861373 920634 854264 967893 901071 Phytuberin Phytuberin 4533873.5000 2562346.5000 2219243 5514014 804447.8750 892690.8125 800776.5000 952891.8750 3640745 3409364 6865176.5000 5131047 998853.6250 781348.9375 795895.9375 865087.8125 [PI(18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-myo-inositol) 449286.0625 137361.9844 616967 1041631.3130 522250.7500 470884.7500 673309.8125 1478681.7500 p-Phenolsulfonic acid 4-Hydroxybenzenesulfonic acid 103588 114491 193777 120169 45605 46566 46707 53357 84590 133817 108762 136562 49958 52712 54388 45871 Propanoyl phosphate Propanoyl phosphate 124853 82140 111263 82838 146362 92505 146889 103281 Propyl cinnamate Propyl cinnamate 97046 113826 67960 79859 59672 68933 24516 124814 [PR] Tretinoin/All-Trans Retinoic Acid Retinoic acid 364962.0938 317811.5625 37428.6680 85940.9297 42076.6953 83887.7891 65446.4961 37684.3047 268614.6563 200984.1094 313469.5938 465558.8750 48898.6523 [PS(16:0)] 1-hexadecanoyl-sn-glycero-3-phosphoserine 114556.3516 157783.0469 198101.7031 139421.0313 124384.7031 168112.3281 210854.1563 PS(40:5) PS 40:5 123168.6406 1485215.6250 281704.3750 197124.4531 434807.8125 258022.8281 84735.3359 208115.8594 Pseudouridine Pseudouridine 2372355 2013183.6250 2751532.5000 2147759.7500 843204.8125 894304.3750 918279.1875 844951.8750 4032763.7500 2623382.2500 2760877.5000 2761239 971120.3750 955213.2500 997905.2500 984257.5625 Pseudouridine 5^-phosphate 86394.6719 76929.4922 145877.5313 110976.2188 163854.4844 115651.2422 171414.1406 125806.3438 Pyridine-2_3-dicarboxylate Quinolinic acid 3168356 2282922 3595808 3264924 244414 229467 305981 266235 4223510 2520839 3006028 3438458 309514 218292 251770 238513 Pyrimidodiazepine 42073.6016 148073.9375 140770.9844 242089.8281 76363.1797 37468.7188 143542.2813 79977.8203 51239.4492 141726.8750 Pyruvate Pyruvic acid 419195 296205 435262 307113 544845 661162 644580 566497 538895 350665 457847 336111 535961 611025 578903 578441 (R)-2-Ethylmalate 412579 67499 403912 613919 411700 357750 340814 303440 85333 218888 730585 1140250 353573 451825 402832 406696 (R)-3-Hydroxybutanoate 3R-Hydroxybutyric acid 122366 95994 147388 111169 134505 99898 104553 78675 168460 138704 81262 131702 105525 87546 86826 100714 (R)-3-((R)-3-Hydroxybutanoyloxy)butanoate 186637 88330 154137 198681 22614 33591 49661 32864 187424 187265 203041 231009 35364 18555 34176 34184 (R)-AMAA 196851 137585 159198 140841 10123 17425 17898 13737 224026 166893 166188 161444 20555 19852 18246 14811 Retinyl ester Retinyl ester 184663.5781 65791.1797 183269.0781 40027.5469 34994.5039 49994.4375 28043.9043 327845.7500 200424.7188 197762.8438 104105.7578 75396.5234 64378.3398 24395.3613 (R)-Lactate Lactic acid 4787331 3228980 7448845 5736452 4643240 5042646 4548876 4995822 6941328 6993601 5862351 5225220 4882081 5310484 4277950 4788024 (S)-1-Pyrroline-5-carboxylate 1-Pyrroline-5-carboxylic acid 2534130 583126 1961719 1459395 196057 187767 228049 197346 3740390 3855832 2421531 2329297 165306 164835 159127 206762 (S)-2-Aceto-2-hydroxybutanoate Acetohydroxybutyric acid 1147683 1567540 1810157 2153675 76823 126317 75374 58833 1689536 2180409 2046011 2043550 94671 131873 77723 71882 (S)-2-Acetolactate (S)-2-Acetolactate 433953 478096 433522 515891 695959 804192 649453 802947 532010 527416 550672 486290 745973 812113 586049 652374 (S)-3-Methyl-2-oxopentanoic acid (S)-3-Methyl-2-oxopentanoic acid 9025531 8274214 9724872 7249827 16050223 16714817 12855745 15673617 12727284 11175691 8711480 8484289 18997268 19428704 13490056 15722336 S-(3-oxo-3-carboxy-n-propyl)cysteine S-(3-Oxo-3-carboxy-n-propyl)cysteine 316303.0938 158316.6094 266866.1563 106081.9375 314387.6875 308397.6250 317265.6563 154612.7188 S-Adenosyl-4-methylthio-2-oxobutanoate S-Adenosyl-4-methylthio-2-oxobutanoate 50888.1289 53978.6719 47711.9844 29915.9355 144283.2031 173081.4688 146733.6094 144977.1563 87192.8984 88662.8203 55872.4805 41971.9492 176568.2031 167157.3750 155802.5469 168347.4688 (S)(+)-Allantoin Allantoin 519200 355550 531231 325991 870320 1031252 884316 936398 820958 539403 533085 485161 1001140 873893 909706 934335 (S)-AMPA Ampa 110581 45889 282974 201203 119702 81874 133146 263443 Ser-Ser Ser-Ser 164680 91500 206264 173808 191546 169470 214732 192328 [SL (6:0/6:0)] 2_3-di-0-hexanoyl-alpha-glucopyranose 215543.1563 221309.1563 143462.4844 163082.0313 175868.5000 177739.9844 190241.5781 222022.1719 (S)-Lactate Lactic acid 192281056 132941472 212778000 139501168 276122016 278149696 306881248 300854848 225842800 176672224 198050672 172310960 277713728 289340416 294042336 278696096 (S)-Malate Malic acid 38789552 29120150 38211544 33313862 2988797 3047204 3234429 2911600 50558080 36214592 37767672 38808100 3172979 3356902 2946514 3078929 S-Methyl-5-thio-D-ribose 1-phosphate 5-Methylthioribose 1-phosphate 275331.3125 244131.9844 373852.1563 327658.3438 354998.4688 299679.3125 283607.2813 259347.3594 sn-glycero-3-Phospho-1-inositol sn-Glycero-3-phosphoinositol 7865128 5059822.5000 7850742 6850522.5000 49774.7383 53553.1992 76066.8047 50911.3867 7323043 5201807 6829198 5824716.5000 66809.1719 67948.2500 63637.1367 59200.5703 sn-Glycerol 3-phosphate sn-Glycero-3-phosphate 57225308 30340386 69322064 37500428 463550 550879 812643 451869 49502216 49049276 60301476 52167056 658293 583619 601709 577587 sodium dodecyl sulfate 10693533 4152576.2500 7703434 12645949 3651042.7500 27177084 3181518.7500 2561743.7500 7769386.5000 12087032 16030345 14438007 5898840.5000 2352375.7500 1655584.2500 3357390.2500 [SP] Sphing-4-enine-1-phosphate Sphingosine 1-phosphate 683891.8125 192048.8750 788771.3750 933025.6875 799050.0625 711359.8125 965473.5000 1074726.3750 S-Sulfo-L-cysteine Cysteine-S-sulfate 1620358 1771324 1700178 1706104 1670619 1713254 1655321 1489745 Stealthin C Stealthin C 214769920 230589392 276160832 233381424 284103.0625 114706.9922 246159.9688 291223.0313 304155936 194969856 250036672 227499760 146046.2031 179549.8281 147992.2500 172501.0313 [ST hydrox] 3alpha_7alpha-Dihydroxy-5beta-cholan-24-oic Acid Chenodeoxycholic acid 417909.4063 1629170.5000 475192.7813 628263.9375 96621.1484 163328 88442.0078 73530.3438 368309.5938 517134.8438 579156.1875 337725.8125 206383.1094 83176.2031 74480.8516 116695.3438 [ST hydrox] N-(3alpha_7alpha-dihydroxy-5beta-cholan-24-oyl)-taurine Taurochenodeoxycholic acid 87346.2344 42937.0625 96248.7969 81847.8047 145799.7656 202909.2969 138945.7656 146804.4375 162545.9375 162818.6719 77150.2578 128722.6641 183913.8906 140730.6094 175830.8594 159882.4531 Suberic acid Suberic acid 334817 204356 344518 294526 38207 40682 51498 30308 334030 327517 346936 343796 41653 34822 26402 29540 Succinate Succinic acid 4529413 3743535 4561313 2910980 1758971 1773920 1896176 1620864 7640224 5604197 5078489 5076719 1792330 1929686 1608646 1676907 Sucrose Sucrose 415702.8438 93131.8594 85236.4844 60056.5664 175488.4219 95033.1328 124874.2109 63518.8516 130543.4297 173194.8438 160433.0938 101274.1094 53621.0664 50555.1250 43228.9727 84984.6719 Sulfoacetate Sulfoacetic acid 194474 222423 153764 155458 93191 104785 88596 79110 244257 192069 136925 158746 119811 83058 93253 95473 Taurine Taurine 36268828 25749046 39236740 35271028 1402875 1634369 1338011 1350973 45607608 36317488 45740900 40698572 1648383 1628643 1223499 1468274 Tentoxin Tentoxin 507682.1875 638608.1875 488187.7500 473411.0313 591373.5625 530166.6250 544617.8750 612276.5000 Tetracosanoic acid Lignoceric acid 347363.6563 529687 144810.8750 214035.5469 141476.5469 311706.5000 235242.6094 315283.8438 233580.8750 357861.8438 236916.5469 402397.8750 273176.0625 92254.2109 172280.0156 205127.4375 Tetradecanoic acid Myristic acid 31290664 33399710 31331586 31175436 35384308 31685778 32090066 31579286 33868180 31828018 32415396 32127802 32589338 31198236 35593836 32346312 Tetranor-PGE1 Tetranor-PGE1 354064.0938 362956 261765.3906 329708.5000 15036.2227 16876.6465 343583.5938 324643.7188 385648.9688 438310.1563 14822.0234 11143.7549 Tetranor-PGF1alpha Tetranor-PGF1alpha 346452.0625 334545.1563 314791.4688 323739.8125 20334.6836 13704.4414 14855.0576 385486.5938 347201.7188 304897.5000 397571 8240.3438 14704.3203 Traumatic acid Traumatic acid 245373.2969 253037.5000 241129.8438 290006.3750 55378.4570 63884.3594 50971.5156 38182.2383 292699.7188 269389.6563 245904.3906 326471.9063 69238.4609 59944.8164 51005.0312 53614.6406 Tributyrin TG 4:0/4:0/4:0 264194.0938 282160.4375 324846 343827.6563 22663.8047 22494.2598 17721.8164 11865.2314 459559.1563 372401.2500 422011.9063 339342.2500 29854.2324 17101.0859 17714.3164 18866.4766 UDP UDP 5749205 4797171 6773091 6528107.5000 7601336.5000 6590287.5000 9326338 7366389 UDP-D-galactose UDP-galactose 38767060 23112676 42059480 27409358 42616532 32595220 43776232 37634792 UDP-D-xylose UDP-D-xylose 711143.3750 507453 925011.5000 611251.5625 975215.3750 632785.5625 889564.7500 834426.8125 UDP-N-acetyl-D-galactosamine UDP-N-acetylgalactosamine 32525608 18245558 37582088 29758648 41191152 30664094 40614144 36987840 UMP UMP 222144.0469 162690.7031 308103.8125 216498.4063 75547.1172 91871.9922 76196.6016 85553.1406 260054.9531 233585.5625 291412.6563 233757.9531 95463.6562 76213.3594 109024.5078 84402.7656 Uracil Uracil 46743 76335 78765 80065 45773 47182 43828 47662 133540 87223 86954 88453 52577 38569 39191 44927 Ursodiol Ursodeoxycholic acid 973230.3750 2068167.8750 952301.7500 1047925.3750 1237690.6250 883137.6250 994646.1875 844580.6250 969202.6875 1040119.6880 975821.3125 991194.8750 996615.8125 892776.6250 886700.4375 856942.0625 UTP UTP 16291703 17945354 21285616 17183372 20491.9805 18472.0469 20399.9805 24045016 18124166 19857230 19580136 20004.0801 6671.1050 12489.1504 Vanilpyruvicacid Vanilpyruvic acid 929596 1527015 874755 1047675 24491 27296 19729 51968 1182167 1122176 952237 848512 20131 47939 22362 14285 Xanthine Xanthine 1664405 1888069 2023719 1157868 3299452 3705882 3421580 3362126 2845482 2188387 1678332 1488203 3725776 3648387 3334643 3285338 Xanthosine Xanthosine 85691.2188 35739.5000 151295.7188 112470.6797 114296.9063 82041.3438 87479.5234 87142.8906 XDP XDP 168681.7188 183915.6719 172244.1250 162757.8281 354341.1875 207943.6875 145628.5000 117327.0859 Zinnimidine Zinnimidine 88972.4219 91405.5078 75336.2812 80840.7969 105538.6563 217608.8438 190876.5313 65600.9609 94337.1328 76143.8047 39143.4727 76652.7266 97087.3906 74255.7812 101730.3047 107132.8047