Metabolite_name RefMet_name Control_1P Control_2P Control_3P Control_4P Control_1S Control_2S Control_3S Control_4S Test_1P Test_2P Test_3P Test_4P Test_1S Test_2S Test_3S Test_4S Factors - Heat shock:control | Metabolome:endometabolome Heat shock:control | Metabolome:endometabolome Heat shock:control | Metabolome:endometabolome Heat shock:control | Metabolome:endometabolome Heat shock:control | Metabolome:exometabolome Heat shock:control | Metabolome:exometabolome Heat shock:control | Metabolome:exometabolome Heat shock:control | Metabolome:exometabolome Heat shock:heat shock | Metabolome:endometabolome Heat shock:heat shock | Metabolome:endometabolome Heat shock:heat shock | Metabolome:endometabolome Heat shock:heat shock | Metabolome:endometabolome Heat shock:heat shock | Metabolome:exometabolome Heat shock:heat shock | Metabolome:exometabolome Heat shock:heat shock | Metabolome:exometabolome Heat shock:heat shock | Metabolome:exometabolome 11-Hydroxy-9-tridecenoic acid 11-Hydroxy-9-tridecenoic acid 339201.6484 504973.3936 165897.3491 309810.6045 483307.2451 321916.4082 1_2_3-Trihydroxybenzene 1,2,3-Trihydroxybenzene 378189.1230 378410.4971 384413.5249 381762.8032 393061.9033 1264505.2170 815168.2207 1156875.1410 215636.2212 279763.1318 315428.3252 233294.0669 348555.5088 983568.3403 677916.5039 934619.8281 1H-Indole-3-carboxaldehyde 1H-Indole-3-carboxaldehyde 989408.5845 319926.9697 1500061.4430 1415962.5820 311312.6973 2405830.1520 2781788.3890 2278872.4950 919406.8374 341832.5220 1568323.9550 1432334.1910 263113.0166 1960409.3590 2384321.5830 2178006.7900 1-Methylguanosine 1-Methylguanosine 440428.3750 844112.6709 1205561.9320 1139819.2480 571613.3408 1392718.9830 733520.9531 1243806.9870 519222.7520 1074880.9000 1399166.1880 1236468.2100 423407.5781 734101.2715 469759.3047 829147.7188 1-Methylinosine 1-Methylinosine 490831.2744 1475397.9890 1476884.7500 1447647.0970 223015.9082 297434.9277 880792.8979 1001780.9150 717392.1533 1888720.6020 1876708.2640 1733120.4640 182179.3984 218257.8574 601132.2988 564850.6387 1-Pyrroline-2-carboxylic acid 1-Pyrroline-2-carboxylic acid 197617.1367 613949.6719 252620.2891 25932.9121 129848.4326 918070.5938 196777.1641 58251.1074 1-(sn-Glycero-3-phospho)-1D-myo-inositol sn-Glycero-3-phosphoinositol 1226957.1470 748676.1758 988090.3789 1085601.8330 43621.6201 1866173.1900 1278613.2720 1432501.2640 1508010.2920 217556.9048 2-Aminobenzoic acid 2-Aminobenzoic acid 519327.3037 137560.8345 85765.6406 754781.6538 260054.3433 182930.2544 2-Aminomuconic acid 2-Aminomuconic acid 308868.3857 79343.5977 593493.3804 69691.0381 264087.8105 844309.4551 262142.7432 291110.9297 940234.8584 297807.9492 2-Furoic acid 2-Furoic acid 1296893.0390 601622.1055 1070121.4450 1421439.9650 669749.2617 1407002.5450 72403.7607 132705.0781 94984.6592 128234.2832 (±)-2-Hydroxy-4-(methylthio)butanoic acid 2-Hydroxy-4-(methylthio)butanoic acid 78337.4980 1511772.0170 548538.9600 559744.2607 29620.5894 923209.1230 281818.2549 374752.8022 2-Hydroxyadipic acid 2-Hydroxyadipic acid 527369.4141 388623.0859 980826.5391 527706.6406 431865.6914 585819.8359 158117.9863 227146.3203 373933.5840 375566.8359 2-Isopropylmalic acid 2-Isopropylmalic acid 2678054.1100 3587536.0080 4307725.5860 4132961.3820 3782821.8860 4505194.1630 5321418.1540 6305505.5290 2-Ketobutyric acid 3-Methyl pyruvic acid 631153.6836 287749.6680 86683.2539 777347.4023 295527.1621 134487.9219 182620.7188 329619.2744 386417.9199 170059.1563 581082.3555 562149.4570 2-Keto-glutaramic acid 2-Keto-glutaramic acid 50515.4453 224004.8086 142485.1953 148500.8457 622840.3438 178158.4844 21301.7417 22562.8511 224382.6826 47680.9658 75393.3975 52406.1362 375796.9053 103845.5195 2-(Methylthio)pyrazine 2-(Methylthio)pyrazine 649794.3203 841259.9258 271601.2031 371073.6201 1012036.1680 1237532.9360 710651.9844 455193.8525 3-(2-Hydroxyphenyl)propanoic acid 3-(2-Hydroxyphenyl)propanoic acid 809045.1523 17267114.6000 7834535.1760 7870261.4310 782996.4941 17267138.1700 8030996.6470 8314693.0920 3-Dehydrocarnitine 3-Dehydrocarnitine 81354.3174 453426.7314 232594.3398 60215.8994 294371.1929 130793.3066 912811.3926 1178349.6770 1273019.2890 849966.0996 414418.1899 613691.2334 563772.4443 426060.3037 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid 697933.1523 501341.0352 813494.1484 310642.1592 845073.3652 603334.1885 974714.2217 472482.2793 1931668.7210 2884103.4510 4289566.9140 3412158.8150 1823097.2160 2718362.2550 3606516.3960 3433237.1000 3-Hydroxy-2-methyl-[R-(R_S)]-butanoic acid 275622.1680 154041.0063 96798.6963 526125.3867 434842.1660 239417.4971 448047.7407 792288.9624 775214.0132 1114795.5010 786436.5049 1142166.5390 982917.6055 1484409.0220 3-Hydroxyanthranilic acid 3-Hydroxyanthranilic acid 357300.3320 804925.4609 1203915.3490 859915.1328 367699.2529 980470.6167 1577723.0770 1201534.7970 3-Hydroxyisoheptanoic acid 3-Hydroxyisoheptanoic acid 963048.2622 1025698.6800 848315.1172 544476.9438 520983.6396 450542.2495 3-Methyladenine 3-Methyladenine 416812.0146 259195.5996 899747.1641 585897.0381 408052.6563 254309.2500 841112.4580 573503.6206 3-Methylguanine 3-Methylguanine 191863.0103 138823.8428 325880.3262 180510.2261 75978.8398 57163.8057 134282.0273 59628.7686 153138.9941 405311.9639 181381.2256 60965.5020 202324.0469 73859.8066 4-Hydroxy-2-oxoglutaric acid 4-Hydroxy-2-oxoglutaric acid 330949.1895 235463.0762 135483.1523 96970.1016 482457.9531 260259.1230 57308.2227 81080.8086 52520.2813 119396.7148 119054.7334 134048.8125 4-Hydroxybenzoic acid 4-Hydroxybenzoic acid 279811.9795 581693.2031 941396.2808 606334.2422 1207856.7740 3609557.7290 5606718.5210 4781209.3990 662973.2256 2072698.6170 2367939.7450 2167518.3690 2390522.4630 6032916.2850 6438854.6310 6412491.8920 4-Hydroxybutyric acid 4-Hydroxybutyric acid 1011192.2500 1063252.5330 1383874.6900 1230261.1850 1043178.3890 1147055.6650 1063584.8190 1228416.0180 61025.3887 81041.7808 87684.0635 132409.4961 4-Hydroxyphenylacetylglutamine 4-Hydroxyphenylacetylglutamine 2324885.0950 1931336.5550 2500169.9430 2352812.7510 1906046.9380 2047179.3380 4-Pyridoxic acid 4-Pyridoxic acid 55249.0659 64698.7241 81729.9531 159706.4570 117261.8857 212219.0557 5-Aminolevulinic acid 5-Amino-levulinic acid 48307.1143 53213.2485 851917.2588 1190474.9260 1856760.8030 1583446.3680 1044880.0450 1327247.2890 2112430.6120 1745417.5020 5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid 5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid 74636.4092 398034.5156 574721.9082 1508784.5590 1052581.0280 1698721.5130 1095060.8960 2353350.3810 1671007.4900 2675379.5490 5-Hydroxyisourate 5-Hydroxyisouric acid 1917809.5470 2066554.3910 2441071.6280 2374147.2200 1493520.7530 1782636.4720 2094552.2790 1974445.3160 31714.6924 58592.5908 83306.9004 119690.5469 5-L-Glutamyl-L-alanine gamma-Glutamylalanine 433966.8496 663712.9243 619994.3179 378836.6631 718407.9312 939789.8462 1052264.2780 910781.9326 5^-Methylthioadenosine 5'-Methylthioadenosine 1916024.2610 375446.4805 2087274.9930 723080.8574 2121845.2530 396050.9209 2286503.9740 885382.1729 5-Thymidylic acid dTMP 4649914.7640 11974770.1000 12600712.7000 8513391.6160 3735747.2770 11024693.4800 10938378.5800 6208333.0840 7-Aminomethyl-7-carbaguanine 7-Aminomethyl-7-carbaguanine 598088.7710 1085060.6240 1758208.1230 1953243.4010 442257.2617 1054673.4670 1677043.3200 1666476.0140 450899.4404 305351.3145 1193682.0840 647881.1035 409481.6655 305383.9712 986259.2974 653539.1074 7-Methylxanthine 7-Methylxanthine 388001.3657 1017476.6990 818891.0576 457365.7925 1187574.4830 1173667.0110 8-Hydroxy-7-methylguanine 8-Hydroxy-7-methylguanine 1171353.7070 527574.9766 923685.3149 799735.4023 1248889.1210 611933.6426 1322066.4170 824576.5859 8-Hydroxyguanine 8-Hydroxyguanine 167113.5234 146440.4121 378343.1489 183272.3862 192854.5166 143472.4473 351575.8906 173593.9609 Acaciabiuronic acid 1209037.9920 370080.2891 366540.0957 1122804.2620 303476.5547 333858.1738 Adenine Adenine 9786111.7730 5045913.0650 12520174.2600 15750161.7000 10298767.1200 5116928.3650 13879524.3300 15763049.1600 Adenosine Adenosine 152753.8516 100266.9697 466737.4160 140309.2788 579616.7627 638851.5786 151305.7686 962153.0396 Adenosine monophosphate AMP 336834811 450322452.7000 386591734.3000 349257248.1000 337536555.8000 478962912.5000 413290636.4000 340764585.8000 1159555.9430 2284286.1330 2607717.7360 2242413.7730 28666001.0200 43713230.4100 56035299.2700 56627578.4100 Alanyl-Isoleucine Ala-Ile 279217.0361 387681.9736 644178.9048 262063.8906 389157.9766 545996.2480 805229.6846 337595.9590 Allantoic acid Allantoic acid 63769063.0300 55045580.9500 37958546.8400 53172181.8000 66686521.6300 59170222.1600 40615055.9500 54628998.3700 195932007.1000 219576051.4000 234501228.2000 217994965.4000 193193342.4000 202224717.7000 211448445.6000 211267517.1000 Allantoin Allantoin 3102934.9060 6293259.4880 2247475.3870 2199677.6880 5174622.0390 1752974.0940 Allocystathionine Allocystathionine 5919742.3540 5206996.4140 4349039.0870 6020302.7630 7694814.0540 7564165.0610 6483974.9670 7729768.5330 Allysine Allysine 173043.4160 122082.7388 178019.3496 287151.3926 149018.5444 111101.6807 185511.6621 268520.9160 Alpha-ketoisovaleric acid Ketoisovaleric acid 47924.4053 75092.7969 261849.7900 244786.7119 443794.6982 398619.3159 909794.3477 707164.9443 1502633.1930 1079522.8960 Alpha-N-Phenylacetyl-L-glutamine alpha-N-Phenylacetylglutamine 266222.5205 371826.3105 281460.1631 178353.6660 251147.8496 146059.5142 3892370.8940 5456956.3310 3887172.6400 5149220.3480 2551728.2480 3146696.4100 2259033.7270 3109937.3050 Aminoadipic acid Aminoadipic acid 1117257.9770 1318729.6670 552409.8242 722538.8535 1824378.2440 2414395.0900 1088795.0860 1843751.5630 147582.4497 102081.9824 40808.1060 264356.0186 86037.9819 62236.3618 32857.8491 155657.4785 Arabinonic acid Arabinonic acid 5107597.9570 3778432.1870 4216273.5780 2600071.8520 9023705.1600 6443697.7500 7132533.3130 5598809.8670 5309919.2930 2871197.7230 4185933.8020 5208093.9810 5979890.4050 2910165.7360 3834977.1090 5590317.9770 Arachidonic acid Arachidonic acid 5416342.8390 8980774.6160 2526840.9240 8340596.8280 6156768.8570 10692263.5900 3094361.0460 9317312.3920 ascr1 3584585.0840 7119892.7760 7603362.3140 7972784.9820 3888619.0460 7540237.1600 8242108.3190 9253651.2180 601655.0659 1226541.5410 1065114.3720 1304429.2240 630183.0010 1224895.4120 1127812.3880 1435271.3590 ascr10 652475.1230 1492678.8150 1269314.1180 1072367.5800 1601353.0990 3525720.8420 3891839.4340 5623813.2860 303612.2930 911604.9277 970054.6548 200409.9736 551819.7144 609089.7227 ascr11 268670.9331 676775.4126 671792.2705 723877.5361 754010.0464 1517563.2150 1896352.5770 2600232.5910 2290710.5830 3079310.2340 212066.7070 481977.0703 2524940.4790 3331382.6460 211063.1582 494653.4790 ascr18 127397.2842 1055874.1110 623546.2661 532873.1367 376499.6426 2239126.9180 2208787.0150 3468402.1090 ascr5 2318962.5360 3396735.3430 4369829.9250 3131434.8830 1678991.5210 2696848.6850 3433114.4500 2330140.0930 12483500.1700 18120881.8000 18711622.9900 20060771.9600 6925767.1210 9664324.1160 10327688.9600 11225097.3400 ascr7 441300.0454 774633.5527 1166145.0580 935398.1406 451111.8750 722193.5811 1134090.2700 1387798.4280 90567.7607 90963.8379 beta-D-3-Ribofuranosyluric acid 3-(beta-D-Ribofuranosyl)uric acid 276824.7461 96308.4961 302151.0596 191341.2695 345384.0879 102968.8135 378268.7539 213408.2725 beta-D-Glucopyranosyl anthranilate 934517.7119 653347.6982 1030802.9560 1167546.5020 976922.0273 1777460.5340 Biotin Biotin 3138173.2370 4165539.7110 5166928.1690 4318349.7760 3625261.8420 4990728.8730 5978459.0770 4885243.0500 Butyric acid Butyric acid 86996.1211 485837.4131 582454.7510 567986.2583 106988.2720 470959.0317 600712.2144 565177.3877 CDP-Ethanolamine CDP-Ethanolamine 8936668.1840 3221975.5840 5444070.2190 5158770.1370 21959608.6000 9022756.4060 14985676.5300 12647639.6100 cis-Aconitic acid cis-Aconitic acid 9140365.0440 4304245.6480 8370802.7850 717060.8672 12496466 6528557.8590 10486326.9800 802056.6719 Citramalic acid Citramalic acid 126865190.3000 131659638.3000 37126234.5700 70922816.8800 67702557.2300 77309283.8500 18863995.1000 34738858.8900 33970956.2700 40218114.3600 Citric acid Citric acid 8133900.0630 4022952.0800 4316929.0120 917470.4844 12102252.8600 6105234.1930 6994071.6350 1213226.5000 2266074.5980 3066286.1900 3143566.7310 2105654.8830 3740415.9360 5473441.1110 5845568.6560 3584867.9840 Cyclic AMP 3',5' cyclic AMP 7514523.5660 9838010.1840 12605774.3900 8888140.5190 12726191.7800 13217322.3700 15685894.4500 15489214.5000 Cyclic GMP 3',5' cyclic GMP 8253253.8410 8818448.2850 5599017.9690 7602715.3280 13329655.5800 10878283.2900 6672469.4100 13898035.9700 Cytidine Cytidine 99153.1797 506477.9844 102812.3760 250092.6025 1006684.6780 235455.6992 Cytidine 2^_3^-cyclic phosphate 2',3' cyclic CMP 4849044.1960 2136721.2740 5369013.9510 5922092.4400 6883858.5620 2155581.8800 5685556.4270 8693109.4990 Cytidine monophosphate CMP 627543.1816 5747912.1310 2051050.4810 1403000.2760 924900.4922 8283154.7950 2532028.0230 2001137.9670 dCMP dCMP 359756.9316 810357.7852 2207069.6330 1852508.4590 522679.2051 838127.0430 2798192.8190 2055616.7430 134158.2832 86964.2432 225062.8789 456976.7725 219101.6689 112768.8555 304485.2852 648967.2734 Decarbamoylgonyautoxin III Decarbamoylgonyautoxin III 295045.5000 477192.8076 327479.2236 362226.3989 664217.4248 394445.9199 Deoxyadenosine monophosphate dAMP 430065.6382 1446947.7800 992332.7676 446897.3359 785579.9102 2137335.8870 1482096.3700 624173.3252 814800.1680 934619.0029 342615.1074 763621.1016 940212.9697 1048816.0900 436582.1021 983444.9375 Deoxyribose Deoxyribose 105181.6563 64515.4268 719516.0781 403214.9258 122059.4785 279696.5420 138516.6836 322368.2891 797447.4063 395915.2773 D-Erythrose 4-phosphate Erythrose 4-phosphate 146263.8164 478019.8125 677222.6826 315371.2695 116874.3203 460794.2227 742369.3359 176614.5166 D-Glucose Glucose 15607049.8700 17814806.6300 11744065.2000 17746872.8100 12622090.4300 15485494.3600 10603479.5600 13636039.6700 908071.5313 3379440.7340 1304313.0390 4904115.5000 Diacetyl Diacetyl 198215.5918 94577.0156 180790.6152 356696.6445 134683.4883 288559.9014 Diaminopimelic acid Diaminopimelic acid 1729582.6800 872235.5410 1092336.2500 1056673.0980 2429476.5310 1599919.3400 1521215.0310 1507346.6330 359624.3750 298523.1426 330723.3301 806731.2637 609745.3438 959837.0449 Dihydrothymine Dihydrothymine 604033.2539 385099.3115 1750667.0080 697309.2422 650579.9395 3997779.7050 Dimethyl fukiic acid 5830125.1120 7271892.2680 10581919.7400 8003984.6520 7611365.1890 9398070.4800 14863115.4100 10908207.3200 Dipropyl disulfide Dipropyl disulfide 1305588.5890 1794131.6400 1233807.5170 3362614.7630 1079007.3990 1446406.0490 1077766.2530 2517766.8420 D-Leucic acid D-Leucic acid 5575370.4220 18854485.0300 13951039.3500 12560130.2700 4114971.2570 19144167.0300 12213898.8600 11733518.0800 3648578.7070 5257947.0390 5698512.0440 4968098.1830 2208563.1300 2950074.0950 3223446.3710 2768107.5730 D-Ribulose 5-phosphate Ribulose 5-phosphate 155391.5039 167921.7266 152749.2207 96231.0781 59403.4902 71190.3066 401224.4199 207692.3711 200016.0605 255188.6641 Erythrose Erythrose 1177751.4610 822946.9375 1085390.0080 1087079.8090 1186504.0860 1051743.2440 1247844.5080 1100977.4530 500250.8623 472031.4414 815588.8516 423611.9961 766476.6416 511235.6738 1116477.9630 498260.4160 Fagomine Fagomine 403083.1367 549138.2949 630461.4321 195896.3501 414652.0068 648963.3535 794744.6694 165805.9727 Flavin Mononucleotide FMN 475608.9370 469160.1084 461172.3354 327278.1772 462660.4268 705236.9189 554529.2861 382271.6758 Formiminoglutamic acid Formiminoglutamic acid 1630643.2380 4609601.5390 5623943.8130 2507578.1480 7926776.3750 9578476.4450 5274592.9610 7814425.5040 4034193.0310 3052636.3670 4829165.9570 6701432.9840 3338142.0160 2945339.7030 Fructose 6-phosphate Fructose 6-phosphate 9974849.0530 5925341.5080 6563374.2050 6535981.2180 12373256.4000 7773057.4620 9915228.0700 7584275.3630 20162822.5000 22760296.6500 26173029.9400 25030105.8400 13672859.6300 13372394.9000 16052512.9700 17054192.3800 Fucose 1-phosphate Fucose 1-phosphate 205048.4258 170020.4316 346952.9043 346767.8594 332656.6250 618763.6152 Fumaric acid Fumaric acid 2204860.2500 2019399.8050 1291090.9790 1792670.6880 5667103.0470 4876479.0940 3494059.8910 3645274.3130 Galactosylglycerol Galactosylglycerol 1815709.2700 305755.7314 2182228.9730 374871.5771 290629.2324 1007325.9860 1277969.2080 1102764.5650 467816.8867 1350861.1850 1551767.1440 1570421.9190 Gamma-Aminobutyric acid gamma-Aminobutyric acid 27565683 24010056.4100 34038061.3600 25045015.7800 15535194.1100 12993623.4700 18243614.6200 14010506.9100 186733.5166 65670.1621 362677.7656 34855.0605 485568.9678 54030.5449 667784.0791 81925.6924 Gamma Glutamylglutamic acid gamma-Glutamylglutamic acid 479016.9771 691764.8345 1075019.8010 377676.6055 821783.0659 1234926.8280 1855355.6160 717504.7441 Garcinia acid Garcinia acid 651589.5605 1996483.3160 1521194.5780 1235008.1520 1089760.9840 3791004.2660 2787186.6170 2130244.0200 Gluconic acid Gluconic acid 227486186 147225350.2000 173272226.2000 184359277.1000 211552444 138471589.7000 174782981.5000 162637454.8000 68333606.8400 100308303.2000 95043809.3600 61925482.8200 75415264.3100 102123263.4000 93107625.1900 74443414.6400 Glucosamine 6-phosphate Glucosamine 6-phosphate 163871.7441 363722.6377 169791.8047 169620.7070 424347.6484 243223.3359 9158000.4530 13492623.8800 15308165.5500 13989366.3800 10239929.0200 12969028.3200 15000266.8100 16458240.4000 Glutaric acid Glutaric acid 2591142.3830 7467267.2320 479760.8311 8649127.1750 4753942.0860 13110417.0300 955668.1797 13188269.2000 39533281.5300 50542116.7700 57823157.4400 56559380.3700 40043876.8000 42835006.8300 53014602.7800 55923434.9100 Glutathione Glutathione 6550822.5020 4455218.8890 15359462.2800 5810065.5870 4204433.6160 14492364.9400 Glycerol tributanoate TG 4:0/4:0/4:0 1723277.2680 3513025.3870 3052156.0800 3090334.9410 16809739.7900 26087208 31986617.7900 60986801.1800 1065451.2980 1651032.7590 1914703.3240 1723762.8730 3183387.2840 4240033.1060 4647341.3060 4853432.3880 Glycerylphosphorylethanolamine sn-Glycero-3-phosphoethanolamine 91731338.0100 119314186.3000 156216559.4000 51129671.5800 89249959.0300 123444389.6000 161637879.4000 54251231.3900 Glycyl-L-leucine Gly-Leu 23324759.2500 21677073.6300 34492499.8000 28335246.3800 27118644.7700 25486266.8300 38757505.4100 31369079.1200 3756734.1940 4649040.5950 5058698.1620 4845472.2530 6787536.5540 7734003.0430 8499017.9730 9925589.2800 Glycylproline Gly-Pro 1293209.6900 827697.8809 2856415.3090 747539.2969 1882301.2270 1413122.4680 4838045.1950 1007057.2640 769276.1123 897603.2305 714439.2910 882282.5625 1611716.4810 1997284.4560 1450153.6970 1974444.9920 Guanine Guanine 77921911.1200 13622107.3500 60480897.1400 50057801.3100 72130645.3300 12521871.3600 57037891.5900 43975672.5600 Guanosine Guanosine 52455167.2600 42080658.6100 53716801.4800 50742166.2100 33992553.0500 30803183.0100 42134125.8200 41747806.3200 2302393.0750 6289933.1910 8170654.0600 11552294.6700 4484244.6990 8518964.0860 10047553.4900 18774940.1000 Guanosine monophosphate GMP 3014886.8520 5148182.5040 4079770.6690 872903.6182 2985851.1070 5114540.6630 4484376.4660 827095.2354 176601.3452 597202.6470 663194.5840 813125.4009 1393831.5520 2896429.9920 4006098.3390 6359613.8040 Histamine Histamine 342952.6719 2354636.7140 3508270.9970 1952442.3650 238087.1992 1831512.2400 2993413.5310 1350937.8240 Homocysteinesulfinic acid Homocysteinesulfinic acid 3487452.6880 4883386.1720 5291243.9610 4391455.2730 1575626.3200 2215057.2380 2199704.2830 2002254.5980 27783514.4600 32711973.7300 42360353.6900 36968479.6900 11169087.3100 13026068.2400 15988477.3900 14588635.5300 Hydantoin-5-propionic acid Hydantoin-5-propionic acid 489549.0498 270726.9302 465004.9336 901461.2998 525677.8330 963491.8789 Hydroxyphenyllactic acid Hydroxyphenyllactic acid 9505616.2180 15958565.6700 21794003.1200 21230656.4000 3974204.6430 8880824.5000 10162404.3200 10132235.7200 8103677.1480 9804984.5130 10476518.1500 9573408.6920 3983416.2810 4530579.5650 5109450.7570 4900495.0450 Hydroxyprolyl-Valine 168644.0186 107017.3975 266851.3867 123882.5850 1146379.3450 1855699.7580 2073744.9200 2494421.6270 995607.0806 1769220.5030 1861761.4540 2190885.2360 Hypoxanthine Hypoxanthine 4106924.0200 3195865.5180 4462325.0350 10000454.4300 6589968.3690 3017240.1430 5667985.0020 11231285.2800 225306.3701 568292.2881 693491.9194 546596.5625 647814.4673 1222111.1200 1401093.9470 1163557.0780 icas9 4530235.3240 3309924.8030 3955981.4730 4481894.9740 2130977.4990 1686209.9430 2126919.2040 3004555.9180 257702.9004 478982.9404 360694.2280 618604.6772 334567.2031 494050.2168 370268.5918 766491.9541 Ifosfamide Ifosfamide 243351.9648 255280.7656 Ilicifolinoside A 435960.5469 461338.1245 336723.1191 315694.2090 293522.4204 192148.4951 92271.7832 70277.7627 140501.0361 121516.4873 Imidazoleacetic acid riboside Imidazoleacetic acid riboside 265325.5166 1193591.3030 1153919.3570 1197238.2100 431535.6367 1501574.7370 1560156.8670 1436273.4340 56375.2817 47053.4341 Inosine Inosine 400015018.7000 532408988.2000 578150931.1000 488787174.7000 371279289.1000 523640091.5000 587095480.6000 484656887.6000 284790.3945 626677.2026 502775.7583 485754.3662 4541113.4200 6679212.5710 5156612.3720 5363560.4580 Inositol cyclic phosphate Inositol cyclic phosphate 168350.3223 88944.4775 1433194.0700 142799.8232 358991.9629 212413.7334 1794130.9920 358152.3652 Isoleucyl-Tyrosine Ile-Tyr 3372843.8010 3991064.4840 4401257.0050 3478602.6360 3134341.4170 4182285.5220 4502213.4520 3282133.5290 2239398.7170 3268804.4330 3874482.7720 2534141.8050 2375836.0700 3229786.5450 3762033.2030 2484436.9010 Isopentenyl pyrophosphate Isopentenyl-diphosphate 22027.1035 44456.5791 30679.7876 96430.6133 170210.0938 118019.1895 Isopropyl citrate 209844.5000 597146.8174 778268.7520 295959.0586 146149.5107 364156.7295 571388.0518 191110.3711 162143.8730 526438.6177 160772.7051 150463.4355 487507.2246 161128.4814 Isoxanthopterin Isoxanthopterin 867581.3398 1089781.5770 85677.2568 862921.2656 1051982.4230 1354596.5900 90533.7715 1067320.9730 Itaconic acid Itaconic acid 1027800.6880 1320858.1880 1014534.9220 1558621.0940 932709.6563 685835.5469 669400.9063 889567.1328 1015373.9840 982256.5625 720310.2656 1280268.9690 Ketoleucine Ketoleucine 11570913.4100 9033614.7220 14734747.5300 10363868.9400 10847569.8600 9080653.1530 14730550.5100 9729289.1300 1389747.6580 2696788.8300 2631151.4360 3145197.7280 4307059.7400 4752731.5340 4757260.1770 5708018.9370 L-Acetopine L-Acetopine 3910785.6310 3157965.2120 5639904.3880 5082145.0390 4053044.0820 3450635.3870 5981194.1130 5127559.3420 95132.5801 127692.1152 101372.6167 132040.5459 L-Acetylcarnitine CAR 2:0 261309.0850 860906.3818 1267079.8890 699546.1484 250195.9424 788889.5820 1163302.0050 835703.6064 L-Arginine Arginine 56849266.2300 39152844.6700 63372171.5900 53739450.7400 86298780.5800 63930236.8700 103894324.4000 86845972.0900 132786.1997 445429.7109 L-Asparagine Asparagine 294779.1523 543634.1641 995459.6055 825985.5313 1287697.2310 1995755.3910 L-Aspartate-semialdehyde Aspartate-semialdehyde 92684.7109 329097.0073 443019.7715 165552.5195 141567.1387 538344.6172 656195.2422 201818.8311 62905.5200 104627.5371 247712.0859 189991.9429 78554.8091 88855.0498 197372.8013 189160.6382 L-Aspartic acid Aspartic acid 231099.5762 223749.2500 34701.8594 249790.8828 521591.7383 629666.7129 200285.5469 503404.9355 254574.1377 342338.0625 382668.8770 502623.2759 556479.9380 450851.9268 469324.7290 810818.7798 L-Coprine Coprine 526949.4478 968772.8223 1353799.0960 1071528.6390 1436477.7540 2404975.9200 2981790.3380 2861798.6670 L-Glutamic acid Glutamic acid 25154561.3100 1043896784 28981314.7900 1486922457 33771769.0700 1376478325 37174954.6000 1807836526 93428.3555 73363.8184 86501.1826 155828.6719 320516.9180 202607.9004 333718.2266 520918.7305 L-Glutamine Glutamine 24674090.5300 237804.0195 17418143.1300 40917382.1100 46348987.9400 345189.4180 29998014.6900 81958647.3800 193309.7852 186527.6914 235716.7910 288852.0615 L-Histidine Histidine 54825114.9400 69436560.0700 73481706.9600 72938778.5900 61586735.4800 80007751.9600 85747075.4500 76078171.1200 552380.8320 922750.8594 L-Leucine Leucine 7536440.3220 11522436.3300 12516258.2200 7538140.7280 11812348.5200 12414235.7600 L-L-Homoglutathione 1226169.2690 1144519.0040 2923389.9640 2054704.5730 1027405.4590 964665.4707 2547817.6610 1689649.8980 L-Lysine Lysine 16324514.3400 12209841.7800 18052468.4000 15694842.7400 23479008.3900 18465334.4800 25053475.1600 21000720.7200 276296.4951 333786.8652 2515039.7770 2689593.3130 L-Malic acid Malic acid 22617772.9400 31898824.8700 39296900.4400 40051470.6400 49426826.9200 56218357.8100 73259894.5500 81716928.0400 L-Methionine Methionine 11492163.0300 15670407.0200 18278309.6300 13197531.4200 7718893.6900 11078078.5600 12787306.3000 9307649.6190 Lotaustralin Lotaustralin 164116.6392 585660.2554 788149.2979 634346.5469 251349.3135 947799.0352 1029093.8060 832600.6260 L-Phenylalanine Phenylalanine 290929756.1000 390125136.6000 509869316 460100416.4000 281842113.8000 391039791.1000 511643145.7000 454667046.3000 1679958.7110 2553585.8490 3135566.2500 3165727.3900 5078422.1350 4480476.5460 5830030.7530 6372115.5450 L-Proline Proline 469069.4414 631119.4619 763449.3486 531748.5947 1035232.9260 1286165.0450 1519692.6170 995283.9805 L-Threonine Threonine 8644692.5080 11073128.8000 12031800.1300 8295227.7970 24787813.0300 33726917.9100 39124428.8900 24856082.9300 L-Tryptophan Tryptophan 86699177.8900 101044760 139670732.1000 120057146.2000 89946305.5900 122830788.6000 162246220 130305818.2000 9173547.2770 12833576.5500 14202452.5300 13985261.5600 21997764.9200 21985274.8000 27746311.2300 33275102.8300 L-Tyrosine Tyrosine 130739005.6000 156560782.5000 206595840.3000 173989031 96252294.4800 126526740.2000 158823961.8000 128038193.3000 120405.9795 638392.9570 1018689.8210 860385.5840 334324.0938 998131.1973 1695123.8690 1473953.1760 L-Valine Valine 1659630.9540 1972182.1030 2701555.9010 2127697.7420 1679341.0910 1853713.8370 2656562.0570 2050857.0530 1897496.1190 2200010.7890 2803406.8320 2312161.3310 2210198.1850 2194314.0720 2784041.6640 2795418.5370 LysoPC(14:0) LPC 14:0 794026.3076 238863.0156 126057.0366 1301560.9100 877517.9653 338401.0498 226054.9907 1537022.4520 LysoPC(14:1(9Z)) LPC 14:1(9Z) 540518.0400 100137.2764 967867.9639 485450.9121 88101.1416 728598.4863 LysoPC(15:0) LPC 15:0 6055500.5690 3709579.2280 4596974.8960 8267466.9360 7648619.4720 4677947.3920 6041645.5460 10100561.0400 LysoPE(0:0/14:0) LPE 0:0/14:0 2638194.1070 1040060.6610 854105.7949 3886462.4030 3030170.0570 1419947.4320 1120599.8240 4568536.6580 LysoPE(0:0/14:1(9Z)) LPE 0:0/14:1(9Z)* 1627937.4460 189989.1641 1586542.7740 1210953.0220 853560.7554 73413.9312 781872.2910 640470.0981 LysoPE(0:0/15:0) LPE 0:0/15:0* 1087761.5030 212709.5845 503178.9922 2217264.6160 751077.3438 156032.1821 358042.5835 1347026.7660 LysoPE(0:0/16:0) LPE 0:0/16:0 3398999.0560 1633060.6690 747680.5928 4562776.8360 4654956.2210 2183926.2100 1217332.7910 5717492.0650 LysoPE(0:0/16:1(9Z)) LPE 0:0/16:1(9Z) 349041.5391 563771.3252 1616041.1270 6289299.9780 303538.8481 398387.9341 1304996.1220 4706409.8790 LysoPE(0:0/18:1(11Z)) LPE 0:0/18:1(11Z) 47892874.5200 20396786.4000 8182196.9790 51771484.7600 64155369.6900 29226461.1800 11831086.6300 69967085.7500 LysoPE(0:0/18:2(9Z_12Z)) LPE 0:0/18:2(9Z,12Z)* 2803815.7460 381346.3662 1298591.3580 2952576.6530 2893548.8910 371040.0176 1375040.9770 2833630.5640 LysoPE(0:0/20:2(11Z_14Z)) LPE 0:0/20:2(11Z,14Z)* 1376772.4620 154655.9336 102636.3555 831113.7490 1123444.3570 145741.5049 90540.0186 644464.8276 LysoPE(0:0/20:3(11Z_14Z_17Z)) LPE 0:0/20:3(11Z,14Z,17Z)* 3218768.7830 143451.9951 211819.1504 1625297.5380 4288490.8150 328093.2500 324275.9746 2297042.1380 LysoPE(0:0/20:4(5Z_8Z_11Z_14Z)) LPE 0:0/20:4(5Z,8Z,11Z,14Z)* 1444628.9230 405120.3926 1874982.0090 2283186.2720 610167.6821 2688811.3610 LysoPE(0:0/20:5(5Z_8Z_11Z_14Z_17Z)) LPE 0:0/20:5(5Z,8Z,11Z,14Z,17Z)* 4671231.9940 1582770.5880 669083.0469 3917390.7320 5260810.8760 1856782.2000 949012.5781 4762316.1250 Mannitol Mannitol 205020.7773 122927.2676 173050.6875 710370.2578 666081.9063 796342.8984 Metaxalone Metaxalone 174052.6221 649200.0054 448547.2563 811554.7529 193551.2676 730606.7510 489685.1123 1107557.0990 Methionyl-Serine Met-Ser 5245150.0660 5123595.7340 3698860.2720 6791131.7230 7527316.8750 4893099.6760 804014.9102 1105863.2490 Methylpyrazine Methylpyrazine 83535.7617 40426.7998 33805.0220 70565.1221 50471.5742 38351.1074 28984.5435 86752.5796 91422.4736 54386.0264 156298.6660 137386.9658 Mevalonic acid Mevalonic acid 590497.7148 559861.1992 577205.9209 564292.7373 14737546.1700 17367584.9100 19352051.7600 15153973.7700 773954.2949 1018589.6120 1525208.7200 1344114.3710 58556216.4200 72902035.1400 90259175.0700 86605351.5500 N-(1-Deoxy-1-fructosyl)methionine 563435.3076 1185595.3180 2481892.2200 875113.4697 741009.1240 1573990.3690 3171274.8120 1114737.4750 136093.3389 636793.5049 807125.1797 994717.1982 84971.4248 635478.8765 838488.9819 909910.5835 N-(1-Deoxy-1-fructosyl)phenylalanine 323385.5913 415155.3638 865468.9727 392679.4209 259307.0376 374387.8027 656456.3735 246152.1567 N-(1-Deoxy-1-fructosyl)tyrosine 212279.6172 281216.2979 534037.1890 209141.6445 250381.1094 478816.1050 N2-Succinyl-L-ornithine N2-Succinylornithine 13021730.0600 12359005.0900 18780887.4400 15541364.0100 12926004.5700 13274862.5700 20014843.8800 15794198.6600 708520.3936 1252027.8630 1036185.9660 1055822.9030 714050.7051 1298419.9110 919465.6641 1117139.9120 N6-Carbamoyl-L-threonyladenosine N6-Carbamoyl-L-threonyladenosine 5170560.5260 3301941.3770 4516761.9470 6292274.4070 6802487.5230 4824407.9960 5945291.0530 8011177.7010 N-a-Acetyl-L-arginine N-Acetylarginine 4352768.4340 4687435.1100 6958364.2430 4702836.4760 5217111.2000 5674391.5440 8716398.8770 6003035.4530 1119293.6330 1173347.5620 1468612.7370 1280474.5160 1222833.9110 1197076.0760 1557596.1240 1317543.1940 N-Acetylcystathionine N-Acetylcystathionine 2742411.8950 2330500.4650 3432455.7280 3026028.0190 1950648.6860 1806535.8670 2485537.2790 2218270.9830 197888.7378 132445.9927 153980.1958 138643.0015 N-Acetyl-D-glucosamine N-Acetyl-D-glucosamine 1209578.0780 3097578.4230 3819015.0290 1876138.5040 380005.6250 1381554.3360 1564274.5960 796242.3057 1834423.0470 1728234.9490 2568877.9610 2145873.2050 1079024.3870 811083.9961 1191535.8430 1116713.1720 N-Acetylglutamic acid N-Acetylglutamic acid 2824036.8400 4759965.9140 5940548.0430 5364006.0220 3678751.1540 5326487.1510 7213816.2500 8004598.9320 N-Acetylglutamine N-Acetylglutamine 3374903.1280 4141711.5600 5360545.1000 340572.1211 3436086.7140 3975440.6390 5265654.6930 354343.7539 265062.4570 616355.0645 336854.4824 157263.9473 367278.1040 193522.7295 N-Acetylhistamine N-Acetylhistamine 1057428.7480 1237657.5000 1966241.8650 1286722.4450 1075325.4120 1359968.9260 2143308.5060 1232187.4590 N-Acetylhistidine N-Acetylhistidine 994871762.5000 749677776.7000 1028854437 802317692.7000 904182316.6000 708168893.7000 969635707.7000 726878482.9000 36356644.1500 19257471.3400 29142850.2600 22398307.9600 29793426.0600 13822669.9300 21165140.5300 19062714.5200 N-Acetyl-L-aspartic acid N-Acetylaspartic acid 1797781.2510 2760642.5170 240355.7891 1474773.8420 2174741.1720 227628.3203 N-Acetyl-L-phenylalanine N-Acetylphenylalanine 119113.2891 431060.3594 64138.4624 391004.3418 275251.8906 435060.9180 127948.0820 146575.8169 257100.1479 107417.2646 N-Acetyl-L-tyrosine N-Acetyltyrosine 208845.8569 184574.2407 92617.9033 268406.6958 274495.3730 95684.5039 186984.0532 262241.8774 N-Acetylornithine N-Acetylornithine 253745.6992 286084.7471 246359.3496 536646.4395 557577.3887 197592.6982 537340.9204 571145.5977 Nebularine Nebularine 161376.8989 572805.4854 203430.1885 164760.2852 271634.4814 778162.2725 177270.3618 183591.9736 N^-Formylkynurenine N-Formyl-L-kynurenine 141451.1992 379824.8613 251416.7280 167901.4609 380853.4316 323434.9150 N-gamma-L-Glutamyl-L-methionine N-gamma-Glutamylmethionine 3532991.5180 4000975.2850 5291338.5500 4804287.2010 4397443.8860 5031339.4330 6903179.1340 5674579.6650 363179.6191 887539.7578 1299837.0190 721852.1333 333329.0503 828492.0747 1221141.6680 687270.9229 N-Gluconyl ethanolamine phosphate N-Gluconyl ethanolamine phosphate 1075627.6120 1221566.4610 1290745.6800 511110.4746 530192.2070 484790.5146 523919.5176 455763.1309 Nicotinic acid Nicotinic acid 24898443.1300 68546905.3200 51104612.7600 36181204.3600 28854039.3600 71335526.2300 59303213.5900 42293847.3100 381974.6069 696485.3657 1236120.5370 1044522.0800 876421.0859 1417271.3190 2308513.0610 2505339.3800 N-Methylcalystegine C1 161622.0283 215111.3643 211154.9258 248423.4639 162827.8550 168319.1221 160746.0391 203294.9287 Norfuraneol Norfuraneol 953927.2461 1139304.5310 399869.5508 352601.3711 974450.0352 963835.3926 522639.3789 209634.7773 651384.9004 1327405.8900 481850.7520 601490.3574 828449.0889 1135255.5960 416927.1133 735287.3896 Octafluorocyclobutane Octafluorocyclobutane 17540.9746 17422.4551 24058.9360 41639.0298 34648.5298 33385.3120 Ophthalmic acid Ophthalmic acid 51375298.5500 45407891.7500 71248832.5200 58230303.2100 48963725.0300 44312413.7700 68279690.7500 52940305.5700 Ornithine Ornithine 3616295.4020 2563784.9820 4002885.5770 2625433.2860 3029776.8550 2199442.1190 3219729.9960 2156182.1090 Orotic acid Orotic acid 2215565.0140 3257749.4210 4561462.6060 4817327.1470 1544901.2670 1743608.1580 2669605.0380 3327721.8200 Oxitriptan 5-Hydroxy-tryptophan 329518.7764 495067.0220 692642.6289 389443.8311 352610.7915 618617.7754 795997.3770 465025.6001 Oxoadipic acid Oxoadipic acid 363188.1807 999673.9224 2025748.7150 2672876.4670 200192.6797 756511.0220 1250628.5430 1775608.9900 8351773.9180 15188568.5200 8975581.3930 17506104.1200 11444742.9900 20290357.7600 12301542.2800 27567846.6200 Oxoglutaric acid 2-Oxoglutaric acid 278715.1875 621538.0391 617385.1719 622731.4844 366735.5781 458921.9258 627320.2891 661679.6094 Pantetheine Pantetheine 259823.7109 734488.5713 1615466.7570 310305.7119 1056383.0180 2097079.6930 Pantothenic acid Pantothenic acid 134412740.6000 177334431.6000 220303424.4000 181139723.6000 132572934.8000 177723227.2000 216340307.6000 174412462.6000 27334877.2300 34907725.5700 39048255.0900 37301189.1700 33692949.9900 40308423.0900 44873518.1400 45086129.5600 Pectic acid 8521897.5340 4755560.4130 3469560.4400 5233305.4960 7783105.1990 4851618.5470 3017513.5590 4909366.0180 23411697.4900 19335172.7700 24027778.4000 20525979.5000 15944163.9300 11554108.2900 13953846.4800 13667307.2000 Phaseolic acid Phaseolic acid 1605261.6650 2068815.7760 2650306.4520 2197176.6200 1482941.1540 2093222.7870 2801595.5660 2520377.1280 1783698.5980 2502992.1500 2680071.3210 2887867.1010 2633794.9440 3312941.7680 3399210.9910 3682116.3340 Phosphodimethylethanolamine N,N-Dimethylethanolamine phosphate 16501635.4400 18986712.6700 15110661.0900 8924493.8830 17678013.4700 21391710.7600 14941300.0600 9321364.2420 3864009.1560 2986542.5940 4861158.4380 4140868.2030 12013135.7300 8985453.9380 14196620.6100 14653525.9500 Pimelic acid Pimelic acid 393205.1133 1653858.1270 1274840.7860 1192037.0430 263530.5264 1062027.3400 859316.9204 696593.3291 Polyethylene glycol 230827.3623 401579.2036 467309.9033 250704.7451 373731.9976 446868.6733 Porphobilinogen Porphobilinogen 404059.2783 1064456.4380 1272200.8310 1181392.1960 401496.3232 925309.1094 1203143.5670 1097082.8850 244735.7344 1136363.7410 1354262.4430 1417778.1260 158109.9512 977957.9639 1177915.1960 1265792.6090 Prenyl glucoside Phellamurin 424762.5054 553379.6143 535469.3779 1166437.1860 855848.1953 1168411.5700 1230997.9320 3117722.9300 330008.4414 588156.8145 1042829.1260 822655.3335 475016.3975 820429.1836 1323760.1660 1099362.6880 Prolylhydroxyproline Pro-hydroxyPro 1610317.6280 2067194.7000 2748415.5980 2300785.0540 2141104.0650 2994185.4960 3889416.7050 2912247.4960 Prunasin Prunasin 139446.0908 320733.7334 680238.7383 60076.5659 128245.6460 394554.9248 Pterin Pterin 3721870.8160 2656178.3700 6446088.7070 5051831.9030 3460524.3330 2330161.8280 6742170.0300 4430588.2710 496838.5679 1175875.5890 1336958.5400 1477762.2380 522348.5469 1673148.9470 1805430.1070 2036394.8100 Pyridine N-oxide glucuronide 33847405.8000 38120772.4200 49765970.4300 44064405.7200 34393606.8500 45080368.4700 55940655.7400 46660952.3300 1804111.7090 4377865.3500 5120691.6050 5139114.7140 4112421.3340 8018789.3790 10393607.1400 12840303.4700 Pyridoxal Pyridoxal 124712.2969 422172.6299 157655.8633 179039.4629 665103.5552 266211.5615 Pyridoxal 5^-phosphate Pyridoxal 5'-phosphate 1478287.3770 2135242.1120 3342512.4770 231935.8613 2274844.7550 3688627.4520 5581887.8590 242352.4595 Pyroglutamic acid Pyroglutamic acid 82583199.7700 72632518.0700 98566904.7400 81113016.4600 116413425.5000 110797045 139175369 109584214.8000 Pyrrole-2-carboxylic acid Pyrrole-2-carboxylic acid 62285.1636 103310.0430 74802.8472 113636.0078 218791.0962 161673.5664 Retinyl ester Retinyl ester 204332389.2000 262302804.1000 96764840.9800 230366482.9000 221392769.3000 294775804.1000 109051242.6000 245501601.6000 Riboflavin Riboflavin 1193588.3760 531569.3496 1083973.9730 790992.5044 1711260.0310 824978.6758 1547439.7770 1034043.5710 (S)-2-Aceto-2-hydroxybutanoic acid Acetohydroxybutyric acid 40000.6240 324082.6616 577650.3481 281152.6738 835145.3271 1859773.8940 1892141.7570 1812419.5180 47382.8877 282406.1748 487395.6094 271170.3916 798309.8838 1650022.6260 1788196.2930 1763719.1560 (S)-9-Hydroxy-10-undecenoic acid (S)-9-Hydroxy-10-undecenoic acid 121143.8906 533455.4692 359261.5547 265553.9478 1242386.6000 744352.6343 437493.4575 125020.5000 559745.9941 414117.1787 375096.7959 427039.4209 255254.1992 182920.7148 Saccharopine Saccharopine 12098611.5100 9755808.0550 11106144.9800 12858889.8300 11289356.4000 8909839.0700 10568195.3800 12360352.0800 2506580.9590 1504791.0590 2106652.3850 2368557.7190 3160756.8200 1703802.1560 2493125.7560 3280511.1110 S-Adenosylhomocysteine S-Adenosylhomocysteine 5100454.8520 6910430.2650 403961.8848 5513667.9090 7640356.6070 176530.8193 Sarmentosin Sarmentosin 144013.6025 239329.5469 161274.2188 203463.1064 286384.1826 192888.5601 S-Carboxymethyl-L-cysteine S-Carboxymethyl-cysteine 13338353.6100 12593746.5100 20035439 16778828.2600 13038971.8800 13074107.8500 20587358.9500 15738672.9600 1394487.3220 3262702.8520 4608464.3830 3636068.9840 3060642.1910 5894541.2540 7785951.8110 6809718.5940 Sebacic acid Sebacic acid 505582.9146 731497.0474 503267.3613 253420.0347 454993.0444 286046.8555 Sepiapterin Sepiapterin 664061.1934 448332.8188 1664745.2690 1448514.2740 865534.4321 597860.6221 1992755.1660 1626371.3360 Succinic acid Succinic acid 1324656.6610 453089.8506 1090962.5510 39322.8237 2020757.2050 739018.9897 1674407.7090 85987.4097 Succinic anhydride Succinic anhydride 1536496.4240 547625.1289 653758.9531 203259.4102 2672099.4860 1057671.9880 1171887.5080 232188.7344 Succinyladenosine Succinyladenosine 2562959.1520 2074461.7190 3436125.4810 3013095.9400 3806466.3120 3115070.0730 5096415.8820 4995471.6130 132301.0054 851018.1118 795683.2412 860399.2637 163729.2646 1066003.5140 965800.2065 1199955.0530 Sucrose Sucrose 72880726.4700 48677191.2900 71807108.4100 63624349.7500 53049716.2800 37437157.5800 52965170.2500 45133023.3400 62812676.6800 59490777.5200 63714240.8500 57672103.1800 51258423.3300 48116442.9900 50844485.8900 53605539.6700 Tetrahydropentoxyline Tetrahydropentoxyline 4502296.3110 3220420.7910 6138045.3360 4646327.4970 5290390.0180 3801784.9400 7354094.4790 5223787.6500 95979.7588 240523.6621 101827.7227 313483.8975 Thiomorpholine 3-carboxylate Thiomorpholine-3-carboxylic acid 39244.5020 30079.5718 75736.5029 65737.2188 154738.4302 94579.7075 62189.4277 157758.1152 Threonic acid Threonic acid 78773653.6100 81478665.6900 106702181.6000 115966186 132126685.9000 140332490.3000 184076912.5000 189265591.3000 25176634.6800 14941382.0300 17246627.5000 21889930.5900 42707127.8900 26257834.5300 29968998.5300 39819356.6300 Tiglic acid Tiglic acid 25935.1982 116596.0562 142249.7686 26493.7700 131441.2290 143977.5537 trans-Cinnamic acid trans-Cinnamic acid 3152979.8790 3867692.8870 4670818.9850 5631674.3760 3693211.3080 4595027.7230 5653006.6130 6796910.0590 Undecanedioic acid Undecanedioic acid 78253.3633 146705.7886 263302.7095 151687.3452 174302.9019 318851.3389 Uracil Uracil 709340.1777 739975.4648 1297915.0940 1187491.4780 590742.9590 504534.5967 910012.8232 892860.2979 Ureidosuccinic acid N-Carbamoylaspartic acid 376339.8525 377718.0801 824526.9263 831821.9688 461890.2715 342382.8652 780730.4492 1085702.2730 Uric acid Uric acid 538239223.4000 409822584.8000 517262389 555016900.4000 431431433.7000 354903046 451720648.1000 456245085.1000 40681027.5700 50623557.4100 58651652.4000 54626163 110266922.9000 110792700 136825114.3000 131335284.5000 Uridine Uridine 844417.7046 1028684.9810 1126963.2390 1628343.0900 596572.1543 619136.2871 695140.8926 1123574.0640 Uridine 2^_3^-cyclic phosphate 2',3' cyclic UMP 1423831.1030 69625.3066 1280256.7200 1663962.6890 1356294.3340 113284.3184 1391766.4050 1626178.4140 12510512.8000 17910783.5800 19831971.7600 17705608.4600 18943877.4700 20997328.9300 22807657.1400 29033708.1300 Uridine 5^-monophosphate UMP 53898111.8500 72943339.8700 54416924.6300 41758121.5500 73454368.5000 103532089.6000 79877344.6600 58956979.9200 926920.2261 1743719.4700 1367556.6640 1498019.2520 16641754.5800 23557527.4900 19903293 28899863.1100 Uridine diphosphate glucose UDP-glucose 748586.8257 328182.5078 47446.7607 59924.3687 917607.6670 369737.6113 83145.8672 92544.1650 Uridine diphosphate-N-acetylglucosamine UDP-N-acetylglucosamine 863519.1211 5154692.0630 3161145.2500 1178495.2310 7425160.7950 3979733.7660 Urocanic acid Urocanic acid 1800434.7200 13662014.4000 1807779.2440 4608616.6210 2181254.9660 15453469.4100 2075205.5530 4956806.8900 6990877.3680 9210688.2900 11028831.4300 11258188.9900 10938348.5300 13352157.7000 16102797.0300 16302710.3800 Vinylacetylglycine Vinylacetylglycine 3590601.6060 3996242.2420 5633387.7700 5360588.8280 3789529.7990 4458229.8750 5568179.3560 5350992.9820 5089428.1710 5099244.2360 6088919.0040 4185378.9690 5912975.9770 5987770.8730 6772558.1450 5350344.7970 Wybutoxine Wybutoxine 1373862.7160 1022611.4790 2481778.4160 1944397.3970 904983.4277 793289.1631 1724938.7400 1323816.3180 Xanthine Xanthine 73911969.4200 88459162.0900 130853751.7000 172074810.6000 94158830.1100 86443843.3800 151412417 179717881.5000 1321328.0960 2076904.3360 2725471.4790 2170007.0890 2091729.8420 2512174.5810 3292052.9610 2505548.0070 Xanthosine Xanthosine 1048719.2090 794499.2036 1405157.4820 1358665.5840 1594917.4600 1068269.9770 1952298.8980 1604411.8750 157962.0742 1167571.1560 1135815.6520 1308900.2120 277581.2949 1725450.5540 1514439.7950 2043245.1380 Zalcitabine Zalcitabine 239485.8076 154739.2383 151755.4238 191385.3530 141180.1865 113179.6206