metabolite_name 140505aaasa09_1 140505aaasa10_1 140505aaasa11_1 140505aaasa12_1 140505aaasa13_1 140505aaasa15_1 140505aaasa03_1 140505aaasa02_1 140505aaasa01_1 140505aaasa07_1 140505aaasa04_1 140505aaasa08_1 140328aaasa04_1 140328aaasa18_1 140328aaasa13_1 140328aaasa11_1 140328aaasa08_1 140328aaasa19_1 140328aaasa09_1 140328aaasa10_1 140328aaasa12_1 140328aaasa14_1 140328aaasa17_1 140328aaasa21_1 1-monopalmitin 2407.639637 2079.229509 2377.158535 2187.357343 3711.020947 2460.812686 5855.547128 7108.708713 4273.63529 3999.069244 6180.476309 6289.813127 5220.325721 8926.442804 7937.984248 6841.255211 6525.044573 4826.808913 2839.991962 2971.938663 1789.173305 2855.304006 1386.30296 1359.519521 2-(4-hydroxyphenyl)ethanol 3529.591831 3693.651667 3398.880041 3518.814625 3321.845886 5802.579573 2644.440638 2613.814481 1980.620632 2408.895611 2705.943379 1606.23367 37057.02046 25484.52886 29126.80971 32776.40802 37022.04722 24733.23464 12912.42722 13348.85069 14320.50688 14520.05109 18817.0037 18072.83264 2-hydroxyvalerate 3906.576771 5448.429978 92185.27458 2914.589326 3821.306462 2788.64204 7126.49768 5800.816614 6165.000486 9021.068257 6680.165383 7534.453909 25758.46833 20929.05503 16098.5548 8008.735092 22034.65999 11354.65186 75096.59904 72502.5593 63045.70304 66823.22989 85556.01155 87130.84728 3-hydroxypropionate 5557.995872 7735.908847 5160.797629 5198.190392 7970.005 7079.021527 3205.709672 4213.224699 3878.361216 4759.176023 5212.858058 3111.601955 7459.446532 2160.176299 2629.300776 1500.624392 5505.857318 2851.146092 13871.8448 14117.40734 15206.03115 15731.84602 16450.21232 11842.53958 5-aminovaleric acid 32874.21207 32000.54985 297601.982 34239.09049 36078.37589 819.573386 3669.835988 64043.37908 1814.860536 1756.565167 113867.7065 2163.847965 9607.057935 8443.138053 5849.846436 7038.783373 10458.60199 7409.98389 26013.83941 27413.15775 24835.46027 24125.20261 30524.43112 30415.02079 5'-deoxy-5'-methylthioadenosine 6829.054049 9171.458514 5521.110027 6131.291301 8138.609032 6264.330706 5912.213713 3537.611762 3327.952693 3486.658953 3912.819534 2685.302972 17015.03043 17309.16776 9818.83856 9919.156716 16246.63099 16108.22643 5650.41879 5295.494995 6284.115211 6415.806243 5540.610768 4981.40021 adenosine 6981.536017 6771.694723 9153.34002 6576.997526 10277.91705 7117.384537 6149.673689 4762.775746 4515.900046 4303.490118 4249.474461 3705.375539 4628.374243 3330.88409 2134.046238 5078.242664 4746.380314 3184.029466 111125.4826 117285.6561 107997.7113 107862.1204 149904.3025 149432.8636 adenosine-5-monophosphate 4670.111939 5409.260819 4700.119661 4650.064375 6594.611831 6617.270394 3138.249451 2312.447778 1051.939069 1000.240014 1609.168206 2795.683959 27329.85643 28141.0722 10386.43365 16610.05467 36084.28264 24684.96655 39663.65585 41599.87492 45415.48447 45576.12162 36267.48905 38363.68436 adipate 116404.5094 113396.0201 94487.15893 110355.0087 120620.5951 107258.0922 319232.5564 477953.8038 348863.3729 330782.5871 473286.0121 335807.5086 248718.2796 7719.813714 14803.38072 11263.52749 254705.5641 7558.116991 94210.74784 96071.81595 93791.77888 93195.56001 85579.47702 83224.17148 α-tocopherol 994.2274454 953.7690148 9120.721209 593.9318527 1038.185104 449.8934757 3818.248473 35545.51328 3183.443891 2355.95285 2161.790446 1903.120462 2397.832439 28921.54406 1599.839097 1954.644346 32006.12978 2441.699543 899.1278899 955.2460362 1182.640965 1056.820616 778.5013635 1056.896144 arabitol 13516.87941 62675.22369 11054.76575 10101.98822 13137.83408 710.7619407 33454.87248 21521.12812 22828.14037 34403.34038 17313.37951 28470.68211 45736.11582 24963.67002 3135.684629 3396.305108 48720.23922 21301.20706 7601.137906 25355.10281 8357.45895 5539.354888 7367.696415 7224.561707 arachidic acid 1271.620841 1161.365556 3788.800282 1321.163835 1128.261231 908.8545719 2439.361568 6862.494086 3965.491523 4014.195747 2682.652786 3589.285191 2010.347292 3600.293832 3566.945603 3860.643697 3710.346989 3412.054576 2028.400056 1680.204555 2358.8088 2069.362858 1277.257556 2090.021268 arachidonic acid 2381.194425 2359.288993 2094.127626 2277.939671 3377.85476 6947.889785 9460.621304 5570.359723 7805.600409 6950.628152 6781.797059 6997.773939 9160.949574 6286.227326 5488.143683 10029.71352 6037.912373 7478.224982 2798.252949 1975.889256 2851.41404 2949.721129 2368.631808 2160.877195 asparagine 8514.232996 38179.48464 4914.901982 9249.176191 8765.677455 9197.357164 5647.769649 13884.53525 3170.693115 6667.00622 5214.975385 5383.927787 80140.7933 71762.59149 3681.021087 13744.42223 73374.46315 57760.25852 390678.8942 393303.6908 379135.7919 369879.4019 396640.4633 387768.8869 asparagine dehydrated 15639.24836 14848.37525 14480.7445 13946.07575 14412.75772 12758.14196 2560.789965 2523.207498 1581.096298 3151.985073 2835.100301 1577.686863 4280.924462 1613.192883 865.3042766 978.7962638 3160.042025 1969.005153 33792.94783 33798.6058 33371.57762 33253.05929 40313.67167 40510.39037 aspartate 1935.001802 1618.339074 2030.395489 1345.353434 2720.183551 1848.399551 2504.12338 3385.943552 3406.582482 3344.847987 2881.681485 2675.78737 406467.6293 334935.0903 237090.5895 313421.1771 532462.1678 353413.9554 131062.8174 151019.9826 199894.8049 179787.7818 136978.0511 121316.3176 behenic acid 774.2257866 705.6976762 569.0727841 749.8775644 874.2003601 792.3705247 1136.030111 2619.723632 357.0217448 917.0442475 1232.284074 378.7209719 846.4620178 1500.530627 717.8408468 1117.360795 627.5161197 600.8544888 492.7522285 688.6267505 730.8164476 509.85246 553.048841 523.4195871 benzoate 37893.17574 39035.98358 30768.06926 36420.27177 34611.17436 38128.64644 77250.04755 97950.0878 69604.36433 84632.78457 76424.90317 75468.24192 66069.79209 58933.78938 55449.03192 57098.90554 68813.3896 61095.74992 67032.27404 70770.93132 65204.4921 65898.59324 56196.57183 53917.70309 β-hydroxybutyrate 24928.83247 21368.08172 19434.28722 27591.58286 26027.9588 25202.40475 51712.30652 33296.09645 52458.82006 42588.66934 75476.34086 25785.37914 35801.62578 72165.88971 250241.2668 163433.9165 38098.79188 78938.29873 22992.39869 24867.69816 25535.20569 7003.797011 7629.037298 3557.424652 capric acid 5000.958424 4975.135977 6935.762742 5009.820324 7149.503869 4576.358286 6586.815917 11093.44624 5272.446124 7084.875867 5490.227841 4906.244551 3372.979561 2197.730385 4601.97194 4086.179583 3245.676216 3450.336164 12421.41412 13254.3881 13081.54968 13508.81116 12395.74777 13489.13989 carnitine 3257.825076 4029.853613 2631.585256 2321.686818 2397.988174 3509.169111 6543.641376 6935.373616 6551.774043 4609.801805 9540.673603 5452.440124 24194.2294 7003.02052 5892.972533 5120.991296 27555.95954 7523.164237 20308.34832 22425.64436 14735.43456 12991.79602 18844.15003 18193.05915 cellobiose 1225935.893 1191941.001 1180599.201 1294615.493 1324406.039 1118643.736 46234.53663 114542.984 44102.81113 134497.3019 19902.86992 57605.55326 1681426.736 1819462.778 2123572.161 2251853.473 1706401.636 1802182.315 1012500.902 1024583.819 944448.5303 937822.4847 1127155.408 1122273.765 cholic acid 1293.002077 1019.703765 1192.844804 1146.175248 1224.68888 1179.488167 2873.805388 2988.060714 2990.057113 2720.879736 2813.927035 3121.117558 4120.782999 4212.588702 3029.956132 3212.043763 3898.461441 3670.039191 142471.4808 140286.4603 171773.5835 167523.9744 59258.12507 58109.63114 citramalate 1000.979414 1140.475338 873.6822902 841.4892367 789.3209328 772.8402653 2201.901593 3062.909961 2446.023978 4044.448753 1232.284074 2963.158559 1998.908616 1929.953429 1502.457586 1796.916635 1226.955455 1656.094782 1331.590434 1600.274665 789.0746232 986.4961391 1017.296995 976.8975176 citrate 36330.0949 33381.2627 32419.08289 36801.12928 38585.49476 32280.72877 28443.92732 41216.32857 28366.22768 48366.99351 37826.03948 32735.57507 140820.1094 120008.1616 95845.66469 99542.40076 142486.8705 92646.43604 96824.65348 101513.197 132844.8233 128771.9317 134843.6138 130112.0524 cytidine-5'-monophosphate 6236.006099 4802.791678 5711.302783 6287.751685 5969.275642 1797.481375 3586.185315 9860.403385 5846.231071 13381.28276 6836.847551 6345.00362 24930.59416 25117.15194 40364.63599 21599.85189 27259.74947 29332.01844 7216.791168 7448.012541 9916.188805 7321.559464 7288.557979 6101.838121 ethanolamine 115827.2161 158830.9386 150224.6766 166709.0539 141983.6499 116329.8977 154885.9676 148223.1752 129401.2563 92525.03754 188126.5846 100608.4632 117625.3343 99013.79514 88063.49086 90339.65215 120119.5006 108804.595 222461.3993 224903.7081 219594.4833 260114.6137 206335.5289 232758.9762 fructose 2237.715082 4715.31389 1814.107685 1867.231162 5491.179276 3378.037369 52640.55916 66572.49573 51075.3608 129055.5424 24103.64587 59200.36821 15469.37934 47006.28533 23018.20669 28146.28895 17650.47018 44306.77699 9900.261833 9757.036166 6978.682127 6958.216331 9904.727454 9562.807286 fumarate 41395.19703 35823.45974 43126.58377 43640.09502 46634.02766 32024.04536 24372.02841 26809.81831 17481.31472 48792.4264 20550.77186 23543.50323 49695.32752 45097.55812 39196.05787 44197.66322 51950.47321 42539.16628 39432.93187 41225.37823 41172.99465 43134.95065 44768.88958 46683.08441 galactinol 12052.26479 10963.44753 11265.53345 9673.266179 9397.365165 2274.577712 4017.930725 2976.242412 2114.503786 3709.774873 2525.970619 2049.660738 81154.54596 70374.72312 63391.18966 64930.74974 83701.10426 68041.36151 50613.19008 52414.44503 56299.4063 56311.674 49334.53322 47947.06272 galactonate 3076.647239 3825.521168 3738.115669 3363.898257 2632.994479 2003.944117 4827.453369 9017.364502 5518.961138 11163.35925 5198.036772 4889.116467 15723.88988 6431.545309 9942.652194 9714.2581 15786.17173 6889.021411 15021.40676 15589.68239 3665.08656 3258.367445 4296.48093 3361.770868 galactose 3409140.079 3869223.504 2926643.472 3060860.227 3430761.781 4248610.54 16723331.96 11633993.71 13023881.23 11256716.25 13046661.54 11741309.3 9305850.431 10535877.01 8952698.193 9498535.236 9211146.275 10753431.2 3757925.595 3627883.031 4082505.741 4117656.373 2963976.923 2926387.255 galacturonate 50377.56655 61837.65651 62265.29439 41082.68828 71500.23539 47432.72253 234901.8841 191663.3143 166527.2675 178651.5643 119700.9413 115620.2774 9965.946392 10520.04225 9486.35026 10144.6926 11585.88487 11283.08194 23681.09239 24238.87909 32106.7279 29400.84071 4448.316302 4171.814106 γ-aminobutyrate 62582.87597 52574.80329 50840.17968 59540.38155 58746.95709 67804.17811 1713.489597 5312.326794 1196.447871 1414.328035 1928.884521 1025.781929 2189.076603 3445.179132 827.7428369 2343.804306 2981.754448 2608.14123 11745.474 14653.44066 10331.76379 10219.18839 12385.62542 11954.53766 glucose 2932228.247 2286080.53 1764563.225 2780556.817 2040573.609 4387776.193 13485732.5 11300227.13 11488541.1 10897764.33 11500132.32 10966115.05 9653298.782 10537268.15 9324795.726 9647125.059 9432726.85 10825497.12 2624358.949 2642874.569 2450010.679 2383392.253 2644442.602 2606512.517 glucose-6-phosphate 11477.78475 11178.8779 5651.083441 12054.65499 9729.37653 18122.68571 4703.326564 4256.558473 2142.130469 3369.428555 3624.863118 2780.458995 8150.05659 7992.489029 8302.469329 7155.236543 6488.544754 8308.768998 4878.826771 4810.885099 4091.018555 3173.066459 3253.87804 4395.810262 glutamate 470989.2291 469591.21 472019.7794 486995.2975 524782.3607 542335.7736 36566.13785 51644.01046 22881.26861 36747.94835 19083.46453 26379.15272 545640.5694 437211.1925 105610.2478 238494.618 510278.7009 383683.0405 1652594.743 1670099.852 1764038.139 1743375.697 1570412.091 1533116.542 glutamine 901.9505348 685.4602776 847.5872419 647.4577735 1008.737139 5013.696594 2763.170626 1908.655789 2108.128398 2191.45213 2295.182021 1838.414366 20791.22331 37441.42307 15862.05685 30198.22328 25867.14099 33441.46368 8208.09271 7968.954206 7206.536325 6831.892733 4353.534221 3801.077613 glycerate 5178.760276 5428.192579 4850.668017 5469.937375 5283.311291 4923.717899 3399.995107 4250.649322 2603.283556 6631.080775 3171.755228 3457.969879 2439.297639 924.1570563 2986.830035 2367.389759 2736.082589 535.942231 8147.803025 8183.032165 11176.50734 11139.26696 9596.915745 9508.865355 glycerol 320587.9927 369636.7396 301958.3496 337008.4619 350023.7036 316958.6725 1550716.181 1194987.92 1309606.763 1324518.205 1248678.534 1186909.623 7532189.361 5837606.223 5194361.752 5441448.308 7599187.921 5855208.82 3381374.197 3330010.599 3442222.498 3376922.793 2733778.855 2658233.229 glycine 2016902.625 1947775.854 1978397.091 2062069.632 2210967.615 1924810.296 137241.0723 349595.2247 105963.2038 78619.99961 304033.2767 146532.6631 663498.9667 744767.7218 105942.7361 181551.966 614642.9142 408384.6512 6974002.869 6956876.341 7324634.062 7235697.835 7102468.546 6862235.583 glycolate 95642.20453 159955.7463 86726.3912 94942.63148 94071.23412 86099.84612 188786.0775 194503.6462 144130.5284 289619.5907 206371.5878 168479.4483 102567.7473 49933.87119 49824.55413 52747.38962 107221.0261 48139.92903 101752.1758 102038.0513 91445.26903 87911.45692 97759.43452 95912.41084 guanine 10759.82538 8382.199966 7720.621502 6903.299775 8476.394508 12119.92098 13349.02841 5467.934438 5610.341704 6903.35783 4581.894735 6501.059498 4558.312353 4088.496942 2641.821256 2557.547466 3800.192698 1900.764062 4932.159953 5508.455054 4209.476846 4625.136684 4404.606119 4773.860915 heptadecanoic acid 1250.239606 1801.128482 1378.019281 3203.320495 1436.021331 1395.018529 4978.564263 7012.192579 8198.749354 5454.995163 6595.47232 5815.936132 3065.565146 3301.493936 3287.321552 3919.607328 3819.846446 3783.219538 1063.765105 582.9851467 1684.308589 998.2168853 1275.877235 1629.229178 histidine 54123.78406 57250.94802 55951.79818 57882.10735 62541.12523 54845.15348 5140.468792 2276.992871 3387.456317 49503.37205 3557.108667 4771.122998 24381.53772 25634.7452 22517.38749 23924.49301 29063.68283 17083.57472 186048.7488 198206.0067 198446.7656 199926.6284 175351.9109 154008.3279 inosine 868.7533536 1259.941272 588.6440703 514.1576437 1273.768821 938.8474702 2309.837945 2808.816466 1989.12115 1892.703694 2555.613191 1750.870825 5135.965486 1311.127414 1264.568469 2133.009328 5525.511067 1361.492997 19079.946 19986.38532 18009.54403 17593.49121 25319.6986 25121.39737 inosine 5'-monophosphate 1715.000144 1553.709963 1449.780664 1865.687146 1983.407026 8076.459776 2493.329745 768.1896365 964.8087627 2057.204415 1477.893958 1257.962625 1765.845595 2112.825496 1172.751616 1631.81847 1106.225285 2067.205748 3539.120418 2235.242188 1018.87076 1123.889331 3209.247642 4280.155104 isoleucine 2810951.067 2723637.244 3040844.437 2891840.809 3084101.497 2621413.496 34037.72879 394567.8036 14718.64646 18868.42174 109747.389 26670.33015 257541.7883 363619.8804 164001.5925 237219.5294 312196.9906 372944.2229 2085741.343 2018690.874 1742667.098 1815557.913 2324723.779 2439996.518 lactate 10004929.35 11345284.81 9104798.211 10775860 9588335.793 10838027.99 1696953.748 3978200.034 1667765.452 1571902.708 3788962.28 2210270.783 941826.2589 1159515.04 981839.3387 927680.6927 1125912.726 1247017.734 1202989.059 1219783.791 1181066.7 1225815.544 1112969.843 1129031.592 lactose 4158.650282 4150.625186 2147.321379 4559.482048 4727.264431 4193.425699 2663.3295 6145.517092 4237.50809 7190.761388 4727.99027 5450.537003 17295.27799 19678.34071 24502.57914 27314.90176 17284.06815 18738.00508 7330.993743 7592.780665 6659.556787 6600.733572 9553.665669 9850.345208 lactulose 17195.57723 28052.95147 19498.01936 10578.57478 23474.64705 13830.91121 21611.5562 19634.13922 12803.90484 23249.43519 10542.16908 10411.97205 6229.788871 3768.470823 4014.90055 5365.690362 5372.492595 3062.527034 3501.439365 1876.396105 1717.321555 1678.020165 1841.809077 2026.479502 lauric acid 7013.045206 5940.00292 31608.63091 6503.914057 31892.14563 6313.156355 20464.73245 22383.86418 19770.07912 16924.6661 19578.91895 17137.59976 11617.40523 21368.27455 15795.28096 16468.54196 12548.91855 20187.71217 7354.182083 8015.90603 10191.94417 10098.07401 6365.122851 5895.213096 citrulline 108068.0783 121406.7659 109669.4588 134964.5801 145364.3917 106910.7325 55031.34937 52678.11189 32735.49379 44562.67799 25520.13736 2576.825105 504462.7659 556605.4265 150743.7955 199559.4587 511820.1163 518156.2724 483990.5142 510601.0849 555298.8053 554491.5731 500427.302 488584.985 cysteine 12083.77398 11332.29044 11191.76475 12609.98641 13219.82645 11165.0308 1681.108692 3226.396473 2231.385905 2424.022114 3654.50569 2449.316035 3813.368584 4000.32648 4165.146309 3686.700988 3561.540035 4122.760579 22337.32808 22705.11951 26216.17903 26749.34745 26785.14 26441.60328 leucine 7231141.122 7020312.471 8051944.81 6929477.038 7312927.37 6711707.568 86788.92271 1220871.971 39427.52638 28959.69009 298854.2958 53300.69478 177561.1364 115371.0485 13360.7432 17081.76371 104712.3655 57673.70884 3764258.911 3726931.816 2952400.704 3140887.15 3989275.181 4271365.312 levoglucosan 4131.642406 3641.426122 6551.362607 4088.042206 5720.988882 5075.07741 5046.024483 9659.49225 3738.102673 11549.08508 8939.352852 7401.235477 10269.0713 4486.896803 5924.969315 6922.330203 11320.55926 5249.570797 6949.545547 8120.988684 5694.413011 4915.550729 6669.71381 7398.730146 homoserine 8378.630951 7752.22933 7795.89568 8388.129406 9165.245915 7638.423957 3267.773075 2785.179862 2174.00741 2265.193832 3089.179491 2224.74782 18766.57767 5247.775228 991.9002399 1248.554873 11748.73021 2333.512447 30652.08716 32151.37932 31760.41541 32472.32737 27845.22696 27733.00969 lignoceric acid 3670.257853 6652.228789 4049.248937 4942.398251 4750.938284 3067.645746 10763.95276 27420.43059 4520.150305 8069.989378 15282.86331 8765.772848 25360.97434 21123.3566 14398.55187 24210.46662 19663.57559 14375.56848 7766.934538 10399.82899 9797.083201 10794.1561 8968.409325 8068.890071 linoleic acid 954.2782951 1158.754279 1350.920577 1024.197909 622.4491335 251.8008445 1751.267321 1455.620875 1950.86882 1813.289553 1717.151862 1307.443757 1933.13623 1425.422456 1668.006154 1693.730282 2139.450931 1482.995428 616.8098484 723.8406184 542.4483464 871.2421347 804.7274733 485.9345162 linolenic acid 450.6939354 342.7301388 366.3343319 550.1847058 546.8082833 318.761734 990.316035 911.9789787 637.53883 578.5887417 728.3603461 976.300797 617.6884995 844.1505267 1058.676133 840.2317325 598.0354966 416.1042166 388.4046978 371.1429889 337.8974186 249.3914332 229.13338 298.9662969 lysine 3263.451717 7637.98595 2388.198747 4625.360104 5199.009275 6435.220476 3073.48764 4546.106874 7161.68619 31313.75213 10345.25771 8613.523211 329342.357 338074.9384 1258962.076 1406888.435 340700.5416 321483.7822 1506374.287 1488890.406 1649312.255 1635939.431 1330228.777 1347375.273 malate 2414.391606 4055.313566 3327.118658 3935.699201 3589.764623 5203.419114 6435.705023 7490.833814 5130.062452 11316.5151 8403.669225 8002.621543 72802.8827 74621.60033 55378.08254 60875.52606 73337.96333 70251.7071 48331.45741 48831.57371 56798.48467 56810.45686 49633.60289 48198.02984 mannitol 2920698.698 3399014.074 2600803.135 2559854.52 2930891.244 3701326.635 26171.86709 13112.40618 10371545.44 9358998.117 22416.13658 9926918.026 355085.0971 255201.236 346397.1612 352105.7409 340534.8886 250138.5532 97302.33329 114294.7131 91929.4592 85787.39725 102482.8949 88605.56483 mannose 3409140.079 3869223.504 2926643.472 3060860.227 3273370.494 4248610.54 16723331.96 11633993.71 13023881.23 11256716.25 13046661.54 11741309.3 9305850.431 10535877.01 8952698.193 9498535.236 9211146.275 10753431.2 3757925.595 3627883.031 4082505.741 4117656.373 2963976.923 2926387.255 melibiose 64639.41322 61082.34456 58159.84073 69045.86455 61784.13932 65022.51116 72204.02306 100626.9332 71901.62925 228916.9339 75088.8701 87452.19147 24547.39852 14882.84729 17767.95212 20881.96969 25552.68101 12521.40809 9257.365102 9464.146217 4410.143895 5006.060935 6410.213355 6566.744427 methionine 673802.6253 643342.9868 665512.5552 675503.8121 760429.5925 634236.8043 10375.38189 62197.75423 7975.610763 7175.634885 20262.81544 8050.199554 90378.40825 47146.70495 15482.26896 13442.23363 70659.43814 21484.29291 437990.0647 439920.7035 450606.2744 450469.9505 553154.6657 539379.9989 methionine sulfoxide 10073.37519 7683.683302 9287.829884 17322.84081 12677.06004 11128.76032 9266.33587 13659.98751 6772.787504 14650.01821 4389.218016 10029.44483 24401.5554 26423.38099 111348.8011 94573.24081 26539.57996 26176.28406 80657.16301 83857.07538 13000.63555 56659.38947 85819.19286 80001.36966 myo-inositol 44830.2613 43995.45189 41515.71636 46936.05653 46691.19136 38743.84962 2455.552021 5999.758033 1833.986701 7013.024977 4348.988811 6318.359934 7743.983595 23484.36562 9003.616203 9400.276769 8677.130057 20948.35068 175418.6339 176130.2652 168817.3048 164121.7022 200114.8798 183453.7654 myristic acid 57028.25609 54341.98517 86409.73783 54485.27006 87977.23769 51705.66428 214083.6601 250120.5759 183339.1665 152849.5317 224976.5365 179919.1054 628565.2504 116283.776 101819.3248 107857.7467 650219.0071 116735.5414 208839.9886 211320.0983 286617.2778 285027.7109 229634.4368 223277.5389 N-carbamoylaspartate 1156.837367 2150.386814 1322.818218 1670.111665 1398.489612 1226.918797 7393.640152 13520.1376 6271.256958 19102.88254 10497.70522 9553.664719 3698.981824 2434.484401 1656.876838 1967.911163 3613.482085 2281.915524 6158.823148 5930.462519 6150.121407 6447.061566 4316.265539 3913.98996 N-methylalanine 11494.10201 8622.437473 10887.15525 10413.36497 10513.50076 8557.043659 5202.532195 10203.13415 6887.544493 2921.305902 8003.4945 3005.027209 16302.97285 9195.852546 12036.35466 11946.03151 7332.25211 10594.01336 100901.7434 100327.1045 41371.07245 40993.96101 39354.80829 40666.73054 O-acetylserine 11522.23522 10756.5038 12530.13964 12739.16917 12641.83797 12667.46576 2760.472217 5607.784346 2490.651696 3401.572374 4084.322987 2887.033741 2107.576038 2119.356641 969.641609 1611.181199 1862.89461 1276.607737 4376.219498 3910.41619 3083.79943 3223.205207 4111.977947 3738.450116 octadecanol 14904.40906 13905.05135 13980.92396 14247.15905 16615.58095 15516.09359 46965.80542 75450.01032 37778.42594 33185.65688 49708.47629 36625.55329 39973.88282 39260.34703 34125.26351 37685.13025 41281.29533 38973.98535 12554.16737 12963.73395 14050.57733 14599.49171 11547.77023 10813.98581 oleic acid 1238.42366 2682.434553 1410.638092 4166.272398 4093.844487 3361.297146 1646.029377 9399.489603 5506.210362 4923.676743 6129.660471 5393.443389 2635.184964 3203.526757 3376.356076 3788.41325 2420.21877 3670.039191 1350.141106 1618.720024 1535.426584 1857.738274 1194.898369 1140.551851 ornithine 673948.3553 579651.9763 670425.4499 620188.3755 685473.5518 620430.3059 44825.96723 68567.81907 5431.830832 15930.09853 42462.98471 19626.88132 991608.8063 852402.6287 4789.779139 45437.37355 835893.5866 595498.3954 2457537.392 2467649.244 2561232.01 2605955.549 2444001.507 2439015.507 oxalate 36533.21664 40141.85949 32933.95827 40001.87642 24426.2205 29870.13675 104466.1989 94690.20614 48106.55498 50813.70537 64783.84159 74271.17915 85475.50578 103923.5836 96491.16499 112731.0908 90876.12638 102007.1165 32885.12431 37495.50299 40003.94726 38154.93582 44905.08131 42969.31959 oxoproline 5602940.354 5295458.093 5408094.882 5862618.455 6214653.405 5175573.15 577839.962 892167.5649 255398.0553 338247.5164 531053.0334 361162.7825 3659714.28 3337439.727 2260135.818 2741113.04 3790802.417 3158402.439 7687268.097 7659005.653 7961234.093 7949260.771 8174385.325 8003517.479 palatinitol 9556.849553 8019.885248 9069.534768 7854.414215 7185.303356 8665.855104 4017.930725 2665.027123 2917.802712 3318.376607 2525.970619 1785.126993 1620.002477 2587.966315 1773.734651 1104.093978 2625.179293 2306.881777 1168.692344 2598.559873 1512.123314 1409.745308 1701.016277 1859.168088 palmitic acid 1940787.677 1813989.675 1966381.325 2179950.694 1497079.087 1723200.126 4711308.457 6222901.364 4340612.995 3793265.607 5372411.32 4488140.404 8462165.152 6334316.149 5951373.616 6376207.585 8772353.874 6230962.579 2709021.898 2848013.236 3305359.803 3225352.708 2846972.125 2643727.878 palmitoleic acid 3660.1299 3899.94257 5395.151236 4573.892872 5387.822695 4300.144617 6009.35643 8300.387508 8311.381214 8047.299623 11609.30168 8651.58562 7332.191262 14515.47037 11452.0656 11188.34886 8404.785254 14445.47398 8328.672079 8711.799134 10260.55935 10601.41494 7837.465855 7142.73454 pelargonic acid 7388.904818 8895.315945 6941.282848 8582.675542 8408.837413 9700.261344 27515.67468 33355.18796 28506.48622 27932.9787 23538.31967 24784.33778 10394.89674 13310.47407 13683.49335 13538.04953 10212.93014 13371.92511 5268.390885 6317.815066 6497.728521 6177.484404 5724.193537 5670.302671 pentadecanoic acid 1274476.362 1563148.424 1667414.873 1010822.09 1928524.103 1173041.088 45322.47445 67886.29698 52488.57187 4441481.642 2873785.975 2614518.309 711251.1491 766206.2062 765950.0952 787270.5997 716664.12 717075.7254 538419.3456 544083.3248 694966.9555 687623.6223 369341.3836 362230.5824 phenylacetate 2751.99006 3012.761125 3700.980408 2848.711269 3228.882704 1148.797759 3262.376257 2491.692026 3072.937161 4125.753707 1458.838019 1731.83962 1058.077522 1685.035481 1157.448807 1387.119404 1386.993124 2435.041876 2153.617093 2608.620978 2413.183097 2221.732559 2463.413889 2007.736966 phenylalanine 1711332.136 1647662.412 1722224.511 1750569.359 1955115.038 1603446.155 18551.5606 165154.8627 9486.57779 15746.68968 54142.15817 14357.14076 395958.3458 322733.2782 349453.5494 391994.6368 405396.4709 288691.4411 1259486.29 1263516.62 1240216.873 1224213.709 1543148.44 1486198.49 phosphate 8925143.204 8704936.86 9778391.199 8617698.993 9065078.375 8402144.289 14349455.38 16600420.47 15629215.54 15150068.25 16353876.97 15949713.84 3389840.169 3410601.616 4198229.59 4547037.844 3322097.01 3980879.027 5856472.119 5895630.973 5400604.085 5592285.127 6265126.835 6516431.69 phosphogluconate 1577.710106 1681.009728 997.6337697 2077.73214 1436.598742 312.4841506 1314.125093 1599.410217 1058.314458 1921.065888 1060.78062 980.1070379 1964.592589 3472.9365 2324.635766 2945.233336 2343.007615 3560.187678 2500.862487 1966.387101 2397.00027 2237.36022 2543.012433 2295.274888 phytol 1273.308834 1235.134138 1653.020944 1689.669213 1632.341095 4656.571851 3578.090088 4553.985742 3478.836882 4439.628646 2386.227064 4019.390416 2593.719764 3864.805216 4092.805758 3595.307361 3144.599794 5352.764643 2608.688269 3367.675464 3652.140299 3755.196854 4174.092417 3972.503242 proline 932860.4865 894803.7633 1076053.404 935184.8171 898028.3827 863633.6512 58989.9151 186549.9289 17661.95072 30880.75598 82954.73837 52345.32831 9691.41817 6153.971635 4124.80254 4210.003207 7260.656311 4360.77219 970220.4423 952110.8841 749677.2083 813286.9516 911520.1923 997148.5985 putrescine 571327.9907 647951.8912 693261.1263 574158.657 796935.83 992144.1532 1611319.744 2254146.124 1661033.042 692220.9234 2653054.678 1365091.179 62638.18932 43099.02766 36683.6149 41162.51035 61566.77169 40122.43299 65542.42318 70597.09778 69633.40807 67467.87093 52077.69228 62110.47675 pyrrole-2-carboxylate 2013.774775 2636.737201 2104.164183 2199.194806 2825.849777 3244.11559 7763.32216 5381.266889 5699.59714 6116.779671 4509.905631 5431.505798 3596.033741 2194.464812 2106.22295 2283.366585 2855.40892 1589.518108 5794.186499 6699.01916 5201.160457 6279.715357 4797.077551 4664.605648 pyruvate 337541.6244 349478.332 443635.3924 368480.1593 467477.199 320052.1261 9606.33538 40099.49902 11003.92021 14789.93836 26426.35314 20586.05404 52293.33679 19743.65216 11140.44477 13661.87315 48061.83864 19010.96945 118132.4193 117389.0619 143853.0292 144652.8916 113567.3372 109884.7424 raffinose 1141.645437 10330.21279 562.0471942 990.229536 1042.804393 915.8296645 2471.742474 2690.633445 2014.622703 1652.570458 2881.681485 2253.294627 2230.541804 3704.792157 2046.402879 1229.391693 2486.199212 3243.948473 1637.676524 909.4121129 893.9393393 1108.912822 649.6713507 885.4705155 saccharopine 2701.912956 1930.386706 2617.534076 3953.712732 3374.390293 1531.032836 3364.915792 9923.43433 2732.916451 3817.551208 3472.415603 1764.192668 2233.401473 3076.169424 5805.329174 2522.169288 5667.298826 3338.820234 4604.04494 4428.563104 4880.740491 6770.684392 5579.259772 5453.163541 salicylaldehyde 41297.29348 30077.99698 31094.25736 36712.09097 25744.44997 5136.458225 24121.07639 81747.19562 61658.50538 82187.96352 80079.40886 75641.42588 75573.90194 23471.30333 74185.23449 77221.71849 85725.44037 82511.80174 33283.96376 40361.24109 47934.17959 41403.53598 33107.93299 32509.61341 serine 27432.125 28918.58988 38313.05101 32502.5861 39031.2561 48001.19258 93494.46861 210539.1125 66076.64947 116825.7647 203722.8123 109227.6958 202903.5229 169734.669 38849.65792 69012.50705 205065.8102 138251.4582 2174937.032 2196482.898 2234346.681 2227122.8 2313577.222 2216005.392 spermidine 25113.38629 8598.935977 13400.81096 15167.39315 23183.63187 30119.84507 6025.546883 7896.59552 3096.313584 5231.879243 5443.646656 3895.687586 11221.34107 7326.312211 16934.64463 16523.08332 13773.06633 8701.571378 37732.06712 36853.82806 35721.97135 35445.48999 34298.69039 35508.87622 squalene 1045.992542 2132.760692 2533.728825 1936.197253 1583.261154 1961.396052 5542.531705 2009.111357 6264.881569 3653.050487 3648.15371 3964.199922 3189.960746 4370.968975 2345.503232 4071.438676 5657.471951 4051.190653 2237.674826 2385.040864 3133.642536 2636.516744 1895.181511 2037.907877 stearic acid 1299751.232 1296053.931 1399155.769 1601601.575 1185346.399 1153159.982 4076567.149 4828899.146 3522980.071 3172986.332 4172202.627 3433324.469 4229883.66 3887523.805 3876845.565 4051982.152 4459771.101 3817797.798 1512734.849 1542163.957 1746204.016 1721247.58 1424154.138 1335918.555 succinate 5719434.89 5433468.665 5408514.41 5776861.181 6126894.429 5594070.338 333388.4091 751480.527 263934.7002 424614.1763 490845.0015 327688.7967 669750.2031 458295.3623 541702.7358 524220.5779 688654.7204 505188.8006 3532097.829 3524231.849 3709737.568 3659497.613 3650088.763 3510801.91 sucrose 6350.789574 7582.496309 11295.14129 6863.670006 14983.81727 20630.92903 58671.50286 111084.1609 77877.49321 70958.42581 88707.51471 97622.46722 7676.781374 12391.21537 7579.063824 8138.455079 7660.750481 11402.91995 7173.892738 7735.871938 2290.193615 2221.732559 2491.940535 2607.955235 sulfurate 251219.9505 255107.4251 229117.0332 295768.2839 232898.7551 267859.6003 439160.6378 489575.1342 440685.9655 733017.1022 458975.0017 397110.825 2424164.271 4980434.226 16355348.46 11529124.74 2263977.083 5975130.055 212865.4845 222629.8983 218994.4241 220237.3793 75857.87223 230979.8067 tagatose 21290.0838 52657.71134 7839.052875 16496.79174 52159.8516 28447.91536 546433.1818 797790.5438 556091.1193 1449915.025 294469.3125 641848.3101 273345.7489 811480.1052 425230.276 453605.7342 278403.7736 795781.0057 163557.2182 166240.7578 103770.1097 102883.4079 139348.5233 100927.1819 taurine 724.1486827 336.854765 330.7045544 264.5415704 292.7474125 335.5019563 976.8239909 2574.420141 646.0393477 941.6248149 1287.334565 491.0050792 784.9791347 1058.045534 766.5316019 543.93949 690.6888834 1269.950069 2282.312381 2496.830921 2795.097804 2109.083165 3499.115171 3485.654456 terephtalic acid 3549.847738 4142.138535 3112.336338 3506.977161 3273.920767 4109.724587 10286.3344 15909.40434 8700.2799 8202.34628 9085.448387 8577.363922 5167.421845 141316.0231 170178.3626 67738.89264 4125.883391 219318.5461 2903.180189 2623.712635 68369.20566 46839.35761 66820.90693 52160.93325 threitol 2863.960213 5719.349992 5059.428403 5657.278098 6043.76167 6288.74353 4050.311631 5820.513784 2807.295981 4621.146682 4459.089793 4367.66146 15180.55278 1894.03213 6512.040705 6792.610216 18277.9863 11321.36353 14836.47975 14798.76773 16781.59115 13428.06824 13934.34621 12269.50368 threonine 591694.7428 526734.4429 575149.9194 607152.2405 624206.1954 571207.0771 33004.23821 96652.04429 19925.21357 18754.97297 45181.63205 21901.11028 4767537.174 4592209.888 1702683.71 2388833.357 4819860.066 4048555.881 1041743.138 1074807.179 1147243.945 1138342.964 1105204.614 1066082.73 threose 7608.343813 6981.249722 5857.836516 6378.848685 7522.511421 8112.730257 16355.05583 19263.83242 10927.41555 11777.87344 18162.42747 11466.30078 5906.646276 7105.886058 2616.780296 4438.487275 6536.275287 6717.586473 10988.9544 12076.1209 13085.43356 12688.35892 10492.74444 10266.33807 thymine 6370.482817 4359.527365 8546.128319 3287.212082 9512.847379 5992.999602 19884.57456 15515.46094 11992.10539 11210.62957 6906.719328 11245.53881 2174.778259 1539.717498 1385.599774 1537.476661 978.4759181 1787.583715 2360.573029 3725.403646 3002.885297 3370.365687 5207.953271 4658.205758 trehalose 1415586.326 1394956.057 1383722.555 1495422.617 10876.69233 10242.22604 9401.25631 18284.88307 10542.76712 33110.02437 12331.31004 10815.43359 1965007.241 2139585.231 2509510.389 2655222.194 1986621.978 2137753.722 1184214.039 1206688.704 1099390.68 1096008.931 1298637.357 1296541.402 trehalose-6-phosphate 497.3950548 511.8103406 412.5024943 611.9453837 468.2803778 725.4096353 1770.156182 1166.072474 1425.96185 1467.270796 1683.274637 1198.965891 2906.853517 2899.828502 2837.975441 2043.089792 4476.843189 3839.809711 3868.974556 4545.383714 5049.689201 2917.1635 3055.111734 3182.116809 tryptophan 6830.179377 7423.208397 10337.65375 4335.084918 5132.607002 6439.405531 5699.039417 4772.624331 6927.921953 7631.320789 7465.693547 3764.372274 179076.761 157090.3717 108007.2242 150960.1605 197395.2329 157066.0264 1866.081675 2567.817607 6506.790904 5369.404068 3536.843961 3289.086401 tyrosine 930540.6225 931439.3302 892924.8792 987368.4726 1095448.115 900612.1049 49367.38926 148026.2035 26623.62154 948868.5191 67066.31966 47241.15923 1333886.876 1382431.192 1120077.957 1250813.18 1361555.557 1297168.278 1649106.057 1656629.15 1650443.758 1613431.04 2178883.143 2118854.145 uracil 37219.10416 32890.9954 30778.10582 27135.58319 33235.20378 43301.37515 70398.78757 62375.02877 50722.58931 48535.27585 29667.98014 56910.91429 100108.4319 64323.61702 11969.57877 37804.5316 94081.09126 60015.54337 20567.47802 22808.52531 23507.17387 24274.9677 31649.3932 31140.49405 urea 615332.2611 611787.0069 990788.336 1008303.798 500753.9764 866069.3536 1853.806856 6011.576335 4105.750065 3460.187573 7760.001943 5048.978586 612761.2898 69385.25461 5630.042456 12288.02057 449596.3479 32481.09515 682510.532 698885.724 423118.7726 420629.5818 550919.925 548276.7604 uridine 674.0715787 958.33875 1088.966439 674.220734 1333.242161 614.5056622 2031.901837 1890.928336 1300.579213 1348.149584 1399.552874 1444.468431 3145.635877 2068.740266 1274.30662 1642.137105 3160.042025 2133.782423 11813.87961 12339.94543 13613.64102 14137.17338 17675.01766 18843.10514 valine 2975042.483 2666060.539 3157400.479 2901845.01 3085411.066 2557583.029 48180.08939 462686.5272 14801.5265 18242.56268 124234.1375 26969.12007 813890.3881 553426.3915 7988.066167 13227.01638 618621.3945 160566.2951 2569166.641 2597134.549 2221294.26 2332458.448 2885365.309 3038912.867 xanthine 8235.151608 6264.454118 5790.089756 6394.803526 7016.699323 9532.85912 2129.044555 2653.208821 2116.628916 1922.9567 2447.629535 1568.171261 1026.621163 1611.560096 723.4055045 987.6408084 1367.339375 1421.412004 10713.59286 10526.71071 10441.1597 10237.42066 16538.5529 15326.82263 xanthurenic acid 317.9052103 340.7716809 271.4888679 281.5257569 283.5088354 891.4168403 866.1892295 561.3693497 478.1541225 557.7898 522.9796671 369.2053696 7651.044353 7984.325098 6683.15393 7750.76921 4044.460718 8090.730388 713.0414601 582.9851467 704.276612 823.0568447 553.048841 474.963276 xylose 5302.546376 2901.129022 4717.683636 4264.060138 4148.121127 3360.599637 36477.09036 42329.21869 31141.64672 98165.33236 35615.55053 35830.04894 52848.11257 5572.699705 4105.326238 2865.632435 52066.99186 3172.378548 21652.69234 21382.08418 3285.113792 5417.589358 4380.680545 5978.868803 alanine 5359948.241 4595238.223 5718312.816 5003271.119 5145673.237 4523284.806 187145.4449 1042533.792 56543.31883 82524.52821 351209.4304 93279.54632 446055.4569 317699.3979 40046.05933 59192.11442 394140.4882 176181.8542 7886048.984 7792651.225 7469402.392 7215422.247 7646804.798 8073458.679 metabolite_name retention index quantified m/z PubChem ID KEGG ID 1-monopalmitin 14900 2-(4-hydroxyphenyl)ethanol 10393 2-hydroxyvalerate 98009 3-hydroxypropionate 68152 5-aminovaleric acid 138 5'-deoxy-5'-methylthioadenosine 688097 adenosine 60961 adenosine-5-monophosphate 6083 adipate 196 α-tocopherol 14985 arabitol 94154 arachidic acid 10467 arachidonic acid 444899 asparagine 6267 asparagine dehydrated aspartate 5960 behenic acid 8215 benzoate 243 β-hydroxybutyrate 3541112 capric acid 2969 carnitine 288 cellobiose 10712 cholic acid 221493 citramalate 1081 citrate 311 cytidine-5'-monophosphate 6131 ethanolamine 700 fructose 5984 fumarate 444972 galactinol 107148 galactonate 128869 galactose 59083882 galacturonate 152867 γ-aminobutyrate 119 glucose 5793 glucose-6-phosphate 5958 glutamate 33032 glutamine 5961 glycerate 752 glycerol 753 glycine 750 glycolate 757 guanine 764 heptadecanoic acid 10465 histidine 6274 inosine 6021 inosine 5'-monophosphate 8582 isoleucine 6306 lactate 612 lactose 6134 lactulose 11333 lauric acid 3893 citrulline 9750 cysteine 5862 leucine 857 levoglucosan 2724705 homoserine 12647 lignoceric acid 11197 linoleic acid 5280450 linolenic acid 5280934 lysine 5962 malate 525 mannitol 6251 mannose 18950 melibiose 440658 methionine 6137 methionine sulfoxide 847 myo-inositol 892 myristic acid 11005 N-carbamoylaspartate 93072 N-methylalanine 4377 O-acetylserine 25245438 octadecanol 8221 oleic acid 445639 ornithine 6262 oxalate 971 oxoproline 7405 palatinitol 3034828 palmitic acid 985 palmitoleic acid 445638 pelargonic acid 8158 pentadecanoic acid 13849 phenylacetate 999 phenylalanine 994 phosphate phosphogluconate 91493 phytol 5280435 proline 614 putrescine 1045 pyrrole-2-carboxylate 12473 pyruvate 1060 raffinose 439242 saccharopine 160556 salicylaldehyde 6998 serine 5951 spermidine 1102 squalene 638072 stearic acid 5281 succinate 1110 sucrose 5988 sulfurate 1118 tagatose 92092 taurine 1123 terephtalic acid 7489 threitol 169019 threonine 6288 threose 439665 thymine 1135 trehalose 7427 trehalose-6-phosphate 122336 tryptophan 6305 tyrosine 6057 uracil 1174 urea 1176 uridine 6029 valine 6287 xanthine 1188 xanthurenic acid 5699 xylose 6027 alanine 5950