metabolite_name S10R1 S10R2 S10R3 S11R1 S11R2 S11R3 S12R1 S12R2 S12R3 S13R1 S13R2 S13R3 S14R1 S14R2 S14R3 S15R1 S15R2 S15R3 S16R1 S16R2 S16R3 S17R1 S17R2 S17R3 S18R1 S18R2 S18R3 S19R1 S19R2 S19R3 S1R1 S1R2 S1R3 S20R1 S20R2 S20R3 S21R1 S21R2 S21R3 S22R1 S22R2 S22R3 S23R1 S23R2 S23R3 S24R1 S24R2 S24R3 S25R1 S25R2 S25R3 S26R1 S26R2 S26R3 S27R1 S27R2 S27R3 S28R1 S28R2 S28R3 S29R1 S29R2 S29R3 S2R1 S2R2 S2R3 S30R1 S30R2 S30R3 S31R1 S31R3 S32R1 S32R2 S32R3 S33R1 S33R2 S33R3 S34R1 S34R2 S34R3 S35R1 S35R2 S35R3 S36R1 S36R2 S36R3 S37R1 S37R2 S37R3 S38R1 S38R2 S38R3 S39R1 S39R2 S39R3 S3R1 S3R2 S3R3 S40R1 S40R2 S40R3 S41R2 S41R3 S42R1 S42R2 S42R3 S43R1 S43R2 S43R3 S44R1 S44R2 S44R3 S4R1 S4R2 S4R3 S5R1 S5R2 S5R3 S6R1 S6R2 S6R3 S7R1 S7R2 S7R3 S8R1 S8R2 S8R3 S9R1 S9R2 S9R3 7-dehydrocholesterol 50997.71429 35950 47724.57143 6708.285714 979.3333333 900.3548387 10167.74194 11333.14286 930.3666667 13746 15627.09677 9624.516129 11912.85714 10145.71429 5314.285714 14866.57143 12522.57143 16464 12680.28571 3857.428571 9957.428571 6086 13174.57143 40325.9375 17316.85714 797.4571429 9275.428571 16924.57143 21042.90323 12656.45161 31707.17949 39473.48837 39362.77778 8907.428571 8132.285714 21648.85714 797.4571429 13997.71429 4649.714286 4349.714286 797.4571429 4390.285714 5214 7697.714286 6590.571429 4819.142857 11409.42857 14489.42857 64409.14286 129706.2857 46219.14286 42267.71429 5418.285714 49267.42857 26302 6361.142857 6800 47264 47546.57143 12478.28571 40705.71429 11353.14286 62421.72414 41341.29032 23073.25301 51655.33333 47566.85714 23591.71429 43942.85714 27584.57143 40016.85714 62331.42857 67862.57143 65371.14286 66887.71429 37877.42857 60015.42857 16144.85714 47016.57143 22380 81897.14286 80179.14286 65792.28571 42169.14286 175575.1429 36977.71429 148258.5714 92722.57143 214996.8571 41575.42857 116291.4286 50730.85714 100527.1429 133444.2857 115204.8571 41990.85714 35952.35294 45055.58824 119750.5714 60531.14286 92538.57143 90860 81075.42857 119877.4286 101269.4286 146942.2857 104291.4286 163342.8571 99364 65405.14286 79477.71429 114034 37083.71429 51392.85714 36453.52941 41960.28571 38288 34676.57143 30474.28571 34157.14286 50311.14286 23708 32699.71429 23887.71429 35903.14286 31805.14286 33178.85714 33177.5 38090.38462 60439 Adenosyl Homocysteine 1502635.769 968327.944 935771.9638 567647.0957 1224213.563 494083.3417 296703.9353 319980.6537 661756.8702 643953.9239 718901.7294 338233.1878 1046938.999 685270.2921 1215615.221 2073390.363 925009.9381 1050402.025 1191759.168 999753.6805 406883.3309 983951.4625 925271.8163 503731.1572 532611.6339 1150842.201 578543.395 858361.4694 447788.6418 495970.3691 187696.8039 398329.5934 443850.4186 596737.2607 1318888.205 642955.3914 NA NA NA NA NA NA NA NA NA NA NA NA 1277596.507 556923.721 509047.6557 655609.3128 971400.8952 625783.6579 508741.378 270973.8783 672353.3564 377601.5717 557719.9227 283640.9651 489118.1013 120285.2138 554324.3267 856111.1782 1342318.482 851473.7665 537296.6375 395141.1455 1128645.613 944287.0386 410157.3705 1791487.677 566114.4363 586270.4202 941636.2897 1017935.166 447734.9143 232291.4911 729976.1452 392332.4571 917921.7385 860717.8053 361499.7896 1305304.543 1068154.994 692850.1781 1663173.922 1234371.774 1351087.091 318886.3984 915975.6042 732230.3646 703746.0764 705498.7084 1197785.853 832760.4105 1201169.121 744072.2016 417342.4555 572468.8373 441057.8685 357643.6468 550683.4572 1542567.688 412981.3207 634387.0348 777538.1899 1431427.964 1180427.851 1005761.639 1066930.926 769042.71 1306932.476 756227.4269 1036631.588 747962.5798 1110478.728 1069078.45 1245720.322 575424.0456 914181.3367 581588.1318 551834.3585 1174449.53 1285907.511 1864810.509 1244268.661 1110260.662 1329987.036 1380401.736 Adenosyl Methionine 4080698.675 8090621.734 5978961.451 2658848.36 5442275.174 4242896.454 2276470.449 2202256.367 3355641.374 2117067.783 2680553.305 2427688.255 3581829.375 2402244.838 4973032.16 4713059.188 4149092.332 2612972.606 4440537.408 6091897.37 2981803.573 4352365.835 3353020.221 3731251.693 1606639.769 4595110.826 4250566.324 2943005.305 2761227.313 3455486.965 317480.3288 3124754.488 3233151.334 2803950.103 3666418.899 3581321.861 3356184.629 2113628.514 4722622.432 4195381.468 2211548.324 2140949.352 2473964.414 2037692.471 2208576.535 1609590.86 2878475.674 2631812.749 4339530.139 2937416.076 2442491.588 1175460.162 2156731.759 1609849.642 1645808.963 1393657.207 1056396.063 784257.4971 1727027.42 585811.6815 1102175.821 1221246.677 1919015.307 2472251.593 2483256.408 4672811.058 1044529.328 499568.2598 490936.394 984052.6397 1198539.665 1390558.555 1420293.254 1388944.429 1506742.764 1712550.752 1192209.567 1363793.783 1492865.482 1687253.134 1180277.291 671404.8497 1246759.838 2773609.729 2587373.477 2387300.055 4186085.577 4053019.769 3432601.007 1857180.397 2552706.352 2739874.562 2307806.455 3233089.857 3741607.962 5446674.557 4794766.589 2067908.317 2144793.931 2021800.847 2067146.709 1851713.431 2751343.304 4315517.669 1696031.743 2503702.285 2889990.121 1568371.3 4379247.545 2691881.169 2784173.144 3789049.763 5958151.545 4785365.386 7791900.476 6939187.388 2640063.792 5760237.11 3649985.731 2158652.357 1655284.115 1516968.138 3237500.857 2459008.624 4120615.413 2196469.21 2612067.476 3858385.632 3723820.278 6456398.053 Arachidonic Acid 862810 554476.5714 692036.2857 415278 1239214.737 939459.6774 260908.9677 168570.0857 1526078 497582.2857 459070.3226 453125.4839 423612.2857 686390 842176.5714 952629.7143 902342.8571 622091.4286 752417.1429 1715672 439676.2857 554170 684692 552076.875 969913.7143 1066023.429 1547167.143 665246 362255.4839 691127.7419 167480.8205 414080.4651 219461.0833 695436.8571 522523.4286 568536 NA NA NA NA NA NA NA NA NA NA NA NA 401502.8571 515816.5714 407250.5714 810119.1429 1465497.714 636502.8571 2656117.143 1354986.857 1297969.143 1428242.286 811201.7143 898889.1429 1115995.429 685545.4286 638852.4138 539623.2258 460362.1687 513696.6667 1759617.143 580130 405288.8571 1160085.143 476353.4286 954169.7143 854484.5714 1156713.143 815204.5714 499276 660595.4286 1382309.429 787639.1429 1329353.429 923228 850927.7143 888554.5714 1078905.714 1300645.143 901389.1429 1186525.429 693462 646878.2857 790737.7143 632572 816764.8571 1218421.714 772770.5714 829556.2857 681432 515531.4706 553455 871463.1429 712465.7143 701842 532277.4286 655424.8571 825888 540292.2857 1045693.714 802591.1429 929609.4286 801581.4286 969026.2857 1405473.429 765168.8571 695291.4286 653812.8571 658750.8824 582043.4286 645292.8571 703250.2857 568218.2857 556722 730182 593282.2857 537818.5714 389679.4286 558836.8571 538060.8571 540704.2857 843681.4286 525647.6923 747865 Caffeine 81063.02857 81063.02857 81063.02857 196276.5715 152819.9997 628378.0645 427516.4516 304229.1429 190617.6658 188018.5713 887119.6774 462380.6452 106687.4287 184118.0002 105163.7143 227921.9998 77517.42818 305390.2857 168859.9998 263120.8569 191184.8571 161583.7141 227576.5714 107860 212518.8571 104096.8572 243800.2854 367044.2857 533674.8387 274440.3227 107964.1028 222566.2793 78811.27778 268633.4285 224100.5713 414461.1429 502962 125810.8572 111946.8571 318006.2857 90767.99997 134741.1429 348984 83990.85712 98745.42857 290196.2859 228956.5717 95157.42858 177004.2883 132888 2390139.714 81063.02857 81063.02857 81063.02857 235053.1433 138213.7142 214069.9997 81063.02857 81063.02857 81063.02857 81063.02857 374205.1423 1327107.931 189058.3865 151542.6505 94573.53333 166529.1427 81063.02857 222291.9994 81063.02857 81063.02857 81063.02857 81063.02857 81063.02857 81063.02857 81063.02857 133315.4285 161471.4287 81063.02857 81063.02857 81063.02857 81063.02857 81063.02857 132065.4286 104428.5715 442928.5714 114951.4287 149690 87768.57147 155693.9995 144386.286 102472 101668.2857 241113.1432 267070.2858 331793.7142 83447.23529 83447.23529 197538.2859 138283.7142 307609.4288 228648.8573 86934.00003 110901.7143 140053.4286 394479.7143 81063.02857 81063.02857 90942.85717 157603.1433 1821502.857 268000.2861 691331.7143 829194.5714 133918.5297 546435.4286 81063.02857 81063.02857 81063.02857 254368.5715 81063.02857 5636285.714 661449.4286 533871.7143 81063.02857 133257.9991 238547.4286 101328.7857 109388.8462 796143.5002 Chitobiose 26742 15656.28571 21151.71429 15650.57143 12918.24561 11489.35484 6977.096774 7683.428571 13173.33333 19096.85714 12110.32258 6259.677419 38836.85714 24565.42857 28950.85714 46020.57143 16545.71429 23174.57143 32996 19726.85714 24057.71429 24612.28571 27432.57143 19048.75 26154.85714 15916 21267.14286 22694.28571 6326.451613 21751.93548 14005.64103 22436.27907 22395.27778 50920.85714 58534.85714 22376.28571 23037.14286 26829.71429 26924.85714 41612.57143 11573.14286 19649.14286 23990.85714 32126 22751.42857 22539.14286 21438.57143 13612 12173.71429 16924.85714 8114 17004.28571 20040.85714 7232.285714 24378 16984.28571 21024.28571 8412.285714 13187.14286 5103.142857 18378.28571 17527.14286 5555.172414 24239.67742 49904.09639 37760.66667 26583.42857 17146.57143 16086.28571 19028.85714 10055.71429 33661.14286 17798.85714 13991.42857 15535.71429 12069.71429 11480 14796 13903.42857 19567.14286 24958.85714 22065.42857 20773.71429 53967.42857 49304.85714 18699.14286 9906.571429 16636.57143 24742.57143 12508 10488 20613.71429 21059.42857 27483.14286 18139.14286 21694.57143 28650.29412 11528.23529 9248.857143 15018.57143 12502.57143 7755.428571 13966.57143 43947.71429 12358.28571 17260.28571 28154.28571 19676.85714 23237.14286 17096.28571 20246.85714 7899.142857 21032 8066.285714 22.05882353 24810.57143 13606.85714 18479.42857 15098.28571 7450.285714 20278.57143 20543.14286 6973.428571 16075.71429 39440 36798.28571 23120 5115 24108.84615 12260.5 DHA 5474376.571 3540109.143 4545636 7546343.714 19097035.44 16585055.48 4651133.548 3630369.143 34463008.33 6761676 7784259.677 8359025.161 8551699.714 9628472.857 18017326.86 14899170.29 11104121.43 9916515.143 12134585.14 28298678 7312102.857 9253765.143 11425266.86 9591404.063 12591345.71 25950257.71 17344410.29 10099713.71 7035240.968 11508005.16 1452111.026 2571013.953 2043087.778 8789357.714 8179247.429 9819636.571 NA NA NA NA NA NA NA NA NA NA NA NA 4204562.857 4599469.429 5997031.714 8866107.143 29022581.14 6583885.143 29766711.71 25514599.71 27747768 18464419.43 8741707.143 15553678 14232087.14 13004503.14 9587653.793 4254632.581 3699283.133 3463992.667 23143142 7743783.143 4245231.714 14701476 4534189.429 9265710 6920960.286 9002767.143 8085605.429 6959662.571 7188604.286 20701735.71 8785574 19214250.57 9991918.571 8618592.857 8825219.714 11260028 9803681.143 7573933.429 7159679.714 4857106.571 4748331.714 7374534 4369419.714 6996340.286 10166841.14 4976765.429 5263391.714 4526656 3639622.647 3724410 6250253.714 5793603.714 5928849.714 4316682.286 5422626.571 5465701.429 3614855.143 6152941.429 4669098 5164549.429 5581853.143 7832506.857 11487077.71 4421278.571 4275580.857 4506111.714 4159971.176 3891133.143 4188862.286 4376488.571 4312297.714 5287966 4523361.429 5668425.429 3769482.286 3823785.429 4163052 5267498.857 4581500.571 5747165.714 3819782.692 4917366 Dimethyl glycine 2517444.128 2333809.44 2004554.331 2048661.935 3290581.982 1472805.426 1642693.302 1527192.176 3546207.934 2552822.199 2288306.034 2055323.254 1771078.062 2335849.393 2694725.75 3972302.886 2539429.939 3271185.906 2683370.532 2449523.892 2446826.745 2169289.306 2941132.291 1917936.119 2524497.996 3092217.353 2540779.373 3697792.741 1860232.86 2090954.322 1879132.837 932367.6367 861629.1369 2745549.468 2307124.303 2828230.731 NA NA NA NA NA NA NA NA NA NA NA NA 5602370.205 2216760.8 3243409.594 5531444.943 4800945.92 4768558.602 4358890.57 3486687.197 3398716.699 4224116.114 7154825.742 2907299.724 4514353.669 3439472.655 7791413.387 3183630.663 2884789.403 1895448.516 4271628.474 5609199.916 5319563.119 4803729.69 3752423.497 9159798.974 7382180.488 7315956.702 7178592.236 6032549.059 4224375.648 4835660.483 6803041.811 4836528.562 8882457.876 8512957.469 5649391.299 7565030.081 5482507.716 4956375.742 10519589.49 4893941.119 6588868.138 5632282.704 4330743.271 5270962.675 6233083.619 7247306.171 6570885.38 1388366.626 1081371.763 1803318.609 5595933.949 5140497.78 3797467.053 2422560.021 3980043.861 6062119.26 3591901.144 5298689.294 3445181.728 4449898.17 4464182.943 4135287.911 5363068.9 4759653.536 1868589.965 1949639.679 2145323.512 1447561.539 3465446.859 2084784.205 3245887.742 2631166.149 4413260.088 2055746.4 2091465.24 3092430.963 1827678.55 3506632.776 2351078.847 2190671.17 2846293.25 2340035.449 EPA 3781878.286 2652602.857 3257659.429 2506895.429 6441785.614 5063799.355 1262280.645 1291084.571 8597432.333 2634778.857 3182517.419 3145095.161 2911845.714 3212127.429 4365255.714 4869763.714 4483771.429 3527284.857 4503095.143 7745347.429 3100168.571 3475500.857 3551486.857 2866589.688 4394409.429 5528760.571 6097504.286 3291757.714 1914381.29 4188398.71 837163.0769 1987310.233 1171990.278 3477884.857 2603311.143 3156628.571 NA NA NA NA NA NA NA NA NA NA NA NA 2228012.286 3365351.714 2179328 3561524.857 8227054.286 2693203.429 7907788.571 5603374.286 6051099.143 6096631.429 3469533.714 4963570.857 6413911.714 3439455.429 3507328.276 2754139.677 2344048.434 2710003 8835633.143 2884580.571 2082486.857 5193128.571 2318654.286 4526005.714 3030525.429 4890434.571 3614830 2352447.143 3419248 5114253.714 3638721.429 6410928 4659367.429 3703552.286 4264871.429 4921454.857 4021352.286 3806171.429 5073633.143 3007516.571 2301080.286 3690498.857 2951821.429 3481945.143 5147524.857 2722483.143 3324893.143 3254063.714 2685274.412 2783455.882 3805189.429 3356482.571 3010345.714 2330083.429 2775213.714 3539490.571 2416925.143 4255882.857 3300522.571 3307392 3921974 3983564.571 6657295.429 3009254.286 3209076.286 3197590 3460155.588 2860689.714 2838244.857 2838074 2690146.571 2946940.857 3104838 2965638.571 2752355.429 2051206.286 2728034.571 2490469.429 2858304.571 4425715 3012791.923 3973907.5 Ergosterol 94790.85714 66030.57143 70390.85714 10486.28571 8862.105263 12548.06452 26812.58065 22174.28571 4976.333333 25602 27596.45161 25314.51613 30782 22344.57143 11889.42857 27301.42857 35423.71429 29870.85714 30046.57143 2603.914286 26296 13061.14286 23716.57143 23810.9375 22724.28571 7568.857143 11640 28164.28571 41007.74194 24253.87097 96840.76923 81988.60465 65152.77778 16686.28571 14612.28571 33780.57143 2603.914286 12601.14286 10952.57143 7151.714286 5304.857143 2603.914286 2603.914286 10034 11041.71429 2603.914286 14366.85714 18914 80194 135216.5714 68512.57143 62137.71429 10784.85714 64202.28571 47378.28571 11564.28571 18788.28571 2603.914286 62586.57143 14886 34440.28571 23587.42857 79195.17241 72445.48387 45776.62651 100354 74918.57143 40709.14286 72803.42857 58740.57143 48823.14286 97652.85714 2603.914286 110319.1429 75511.71429 55071.42857 83806.85714 2603.914286 65284 46688.28571 103802.5714 112218.8571 86579.42857 2603.914286 2603.914286 75504.57143 220330.5714 2603.914286 2603.914286 61314.28571 169649.1429 83890.57143 2603.914286 136108.5714 145733.7143 54984.57143 85912.35294 60892.94118 2603.914286 97593.71429 2603.914286 79369.42857 131403.4286 171458 2603.914286 135332 135621.4286 2603.914286 123691.4286 82664 106322.8571 2603.914286 57923.14286 68386.57143 74199.41176 85568.85714 78112 59446.28571 53652.85714 48667.14286 104635.4286 44069.14286 68742.57143 49995.14286 66377.71429 72157.14286 66705.71429 75553.92857 75222.69231 111884.5 Glutathione 144373.5976 146118.888 145392.6545 94701.24459 109017.8126 62536.42012 53461.85677 47939.78113 61778.26142 63037.23 78245.21244 35595.42837 116767.73 83678.10617 112979.0196 215673.47 94286.14449 104066.8492 131728.7588 73452.25367 74962.77179 110817.983 122796.6408 68047.64474 58687.58612 68743.84532 59512.43631 98798.80878 52352.10885 58747.74923 62577.70111 86897.89828 128133.7567 124663.8191 147003.4108 84369.73379 NA NA NA NA NA NA NA NA NA NA NA NA 82167.67192 73038.94907 51834.48717 98086.87343 98807.47875 91563.54834 109559.5625 66935.0693 65453.43688 42128.98111 90717.33116 44686.78961 72122.0035 53422.39088 38044.76202 183905.2372 197650.0357 136886.4335 78228.17845 83802.95856 65096.75536 63944.85129 78463.8943 116361.0092 106155.6221 118393.473 91889.67617 100507.7217 70246.51405 83302.59163 120989.2965 68094.20157 102837.8447 107855.9954 70545.74076 180553.3234 119967.1799 75973.24757 140261.7108 83223.03692 139441.4365 76704.9973 84664.39808 96452.40492 79555.06686 306082.3887 127438.7277 112288.8501 161048.8912 174346.5517 64255.66721 87376.03273 67919.87981 70954.30839 61966.73748 159149.9619 88038.93368 80095.49355 87033.25363 279843.3857 123225.2232 53220.71229 121412.694 65410.79126 197239.3934 152735.4563 157833.5604 153434.8476 151946.4239 169353.4584 184035.7655 99397.11596 260495.9833 134880.6668 107197.1559 159620.6672 209889.7457 182506.4796 120518.7461 176317.9909 181979.195 247728.8933 Hydroxo B12 16118.28571 7581.714286 19699.42857 10505.42857 29922.45614 18884.19355 6340.967742 12061.42857 22205 12286 13714.83871 10689.35484 16779.14286 10849.14286 18219.71429 19728.85714 19448 7826 16665.71429 14587.42857 22913.42857 10972.28571 12843.71429 15815.3125 17801.42857 25902.57143 20572.85714 15155.14286 7931.935484 17545.48387 4929.743594 12060 16927.5 6164.285714 14821.71429 9533.142857 19360.57143 25316.85714 24440.85714 25228.57143 18565.14286 15853.42857 19810.28571 24982.85714 15804.85714 11863.42857 10609.71429 21137.42857 17510.28571 20990 21544.28571 1420.571428 3842.285714 835.142858 3823.428571 4534.857143 6312.857143 6454 806.2857124 421.4285712 4655.428571 1749.714285 609.5862069 8617.419355 11848.19277 16758.33333 8384 4481.142857 1662.857144 5730 5317.714286 2567.714286 5156.571429 2716.571429 3526.571429 2683.428571 6958.857143 997.7142846 1533.428571 5124.857143 7722.857143 5963.142857 6148.285714 36309.14286 23767.14286 16618.85714 17128 24515.42857 25988.85714 19698.57143 14829.71429 23720.28571 21170.85714 20144.85714 23972.57143 11072 18777.35294 13125.88235 30122.28571 18658.28571 33114.28571 13275.71429 29535.42857 24270.85714 18774.28571 18382.85714 7033.428571 20264 27111.42857 26001.14286 27147.14286 10906 13045.14286 19282.85714 11301.47059 7378.857143 19200.28571 16415.42857 27845.71429 12034.85714 10444.85714 15353.71429 9663.714286 10524.85714 16613.42857 16852.57143 23835.14286 9640 14074.23077 21493.5 IAA 833055.2513 568359.9558 872317.9355 261084.4328 364019.7028 172085.7858 107896.9142 114689.2763 240407.5395 340403.7189 486687.4513 256334.0216 474046.0284 513379.4964 630013.7258 1073979.807 832415.9631 541185.7052 644222.2027 877304.7373 402433.414 563486.8532 455468.9872 355452.9571 477639.6226 692844.2905 503805.1376 407151.5163 265676.5636 315570.7282 136448.4524 198472.8569 94203.92589 451385.3935 755682.2988 441623.0654 NA NA NA NA NA NA NA NA NA NA NA NA 350565.9829 652205.6541 533535.5256 420205.6264 734139.3898 494432.3293 687046.5272 532341.3444 763166.7263 683979.0947 1252889.1 581341.2743 1076388.277 631807.7299 798884.4648 505350.2146 901133.8511 441787.082 669356.8638 857715.723 930464.1628 820187.7562 850830.1084 872634.2241 1013959.711 1430873.48 888186.922 472705.1286 369575.0205 806194.0471 1023373.898 931539.0298 1130011.397 1166092.453 1131318.423 1043930.92 879213.0252 677466.2167 731848.77 379344.4491 557648.625 357802.2131 323631.6223 421595.2133 666556.9998 605687.583 749781.5047 531122.2284 754968.0703 425364.5899 426007.2905 542558.7082 281018.8903 270374.4348 487191.2053 769498.2624 500562.9359 505055.4505 1104501.412 1276349.582 703563.7915 428988.8432 621030.6559 398844.6547 513463.9066 487838.4465 392289.8769 531530.7338 552485.9485 426729.7398 505414.4166 256758.3091 402221.9402 704307.2993 474934.8767 493230.282 560450.355 580565.8382 750161.3026 435895.1549 460738.7923 427364.016 Indole 3 acetamide 22656.03865 8063.407236 8122.826806 34441.37799 57837.75211 34673.80208 28297.69904 14023.46697 38572.81241 44288.34526 32842.03612 32412.90665 37636.59574 65083.62608 65931.03087 137598.9081 42476.57655 73194.48955 39143.16286 84409.33596 48888.54331 56931.49165 50315.85036 30167.52387 30094.75128 69658.30593 56584.39744 49978.99035 39879.27256 14483.85661 10730.85455 6194.727899 8222.01331 47984.9501 41282.52925 36174.64335 NA NA NA NA NA NA NA NA NA NA NA NA 52401.6711 44488.73592 57375.03199 39900.8748 93900.2765 43400.20368 56721.70551 45853.90737 54999.53594 45077.5977 79344.43686 20886.70429 33886.22899 46132.52301 78829.05434 48682.89773 9587.762039 7279.113604 51159.75308 59865.56464 46139.50891 58186.48339 39454.99872 100927.869 73286.05833 121723.3011 68845.24425 94799.23731 37411.90203 33133.08796 83123.03456 64466.41066 186144.0419 59186.78754 81859.91043 179917.8289 120081.4008 84150.91363 1296468.725 49643.14009 93999.83386 62324.99067 68313.88107 64528.88389 91603.23633 96331.20943 108275.9956 47390.03887 6815.389052 10223.80976 60770.57538 67901.70803 56984.93572 21928.92445 58721.60843 105205.2828 23700.11781 55859.90081 64172.50748 74059.71482 64178.04815 63832.11061 92415.55764 36569.00337 9069.823119 17733.44002 8607.89653 23754.89956 11898.22736 8031.754846 22249.7562 10871.33535 28245.46652 19323.93097 8384.275987 13100.87147 7630.162093 14337.41401 9624.448885 10127.26158 26543.20632 12253.3589 Kynurenine 74223.31172 14521.55643 14628.56636 39532.10542 31787.44777 76460.83783 29716.20414 32519.50688 25467.34491 35477.0094 106220.4514 33037.95009 115722.0239 40488.34514 33659.03726 75368.47832 26572.35337 48255.24619 43766.01753 28737.45014 37503.71987 44043.22031 43596.61909 14216.08991 34130.00089 27670.9568 19057.68573 75031.69594 63756.05641 41570.93076 19325.41733 42096.11935 14807.19338 45045.73725 126008.2679 58800.90494 NA NA NA NA NA NA NA NA NA NA NA NA 70117.4349 55050.71916 24858.53489 36202.70586 16901.00495 15473.7699 25882.0294 27300.13801 16809.30314 9330.686321 19328.78466 9822.494684 28437.42576 10367.84311 37281.16444 25171.73499 17266.79844 13109.10585 11879.61934 17988.30196 18089.38104 15192.85415 21083.37716 39340.12616 34230.90925 41695.90182 28749.28715 26387.09053 14353.86671 27546.46306 42096.69963 11595.34842 35612.43932 12907.75683 27671.82166 84929.61801 41902.0648 33896.65093 36314.04828 54852.4373 44932.05157 53390.13998 10425.83627 52168.75512 35720.6528 36495.01532 73646.72906 100247.9631 12273.97474 128494.9859 38097.42559 52745.49216 63464.96482 21135.94665 24063.4028 93504.71144 86244.68773 119807.3568 37560.98707 47793.0537 48648.59145 37134.15187 46760.6397 54141.84237 63623.48583 14890.85213 15502.13843 18154.143 89086.85911 14464.55299 18379.4108 19578.4121 27496.42973 83034.7476 85861.9952 23593.62968 13741.31632 25820.54465 17332.86854 18238.3943 22794.96961 22067.32681 Methyl indole 3 carboxylate 6917.714291 1271.028571 1271.028571 6195.428571 1560.912281 4403.871026 1197.096778 1010.857143 2378.666668 4807.428571 9130.645161 6580.967742 6815.142857 7874 6062.857141 4762.857143 9548.285714 3353.714286 4166.857143 12177.42857 6413.428571 7126.857143 3651.428569 5472.8125 1479.428572 8186.571434 6059.428576 7106 2736.451611 3300.000003 1140.666667 1034.55814 1235.722222 1405.428575 5751.714286 1880.000002 3775.142831 8478.857149 4022.285978 7918.571434 3833.142892 1271.028571 3611.42856 11368.57143 5603.142866 2804.571426 2538.000002 7651.714288 1379.428572 1545.428572 1271.028571 3142.857143 3840.285712 3519.714289 1271.028571 1271.028571 1495.428579 1228.571431 3639.142856 1271.028571 1799.142861 1271.028571 1829.310349 1435.032258 1071.951807 1482.866667 5273.428571 5548 1271.028571 7180.571429 770.0000001 6598.571429 5139.142857 15270.85714 5958.857143 1271.028571 3133.714285 1364.57142 2912.000002 2265.142858 18702.57143 12982.28571 11881.71429 20808.28571 17675.71428 2316.857134 4434.285712 1271.028571 18018 6080.571424 2733.714286 4023.714286 8507.142861 5899.142861 9473.428573 3671.142846 4622.647067 1308.411765 7716.285713 1271.028571 4412.857139 1271.028571 3938.571434 2555.999991 1271.028571 2397.714217 3608.857139 2281.999991 8065.428571 4535.714283 5422.285718 1271.028571 1271.028571 1271.028571 1308.411765 1271.028571 1271.028571 1271.028571 1271.028571 1271.028571 1271.028571 6237.999997 1271.028571 1271.028571 1271.028571 3881.428594 16678.28571 1588.785714 1711 2224.3 Pyridoxal 287512 645737.1429 448405.1429 370845.7143 867747.0175 873075.8065 626878.0645 603683.1429 676446.3333 356108.8571 617901.6129 756008.7097 427369.4286 346014.8571 817819.7143 309673.7143 967680.8571 501042.5714 406381.1429 681932.2857 369126.2857 370485.7143 419056.5714 703029.0625 306572.5714 683737.7143 584922.5714 488471.7143 558973.5484 791652.9032 263205.1282 1255089.767 770135 240340.2857 310246 571651.1429 555172.5714 333535.4286 672055.1429 374965.1429 398813.1429 352712.8571 507690.2857 411824.5714 474595.1429 421942.2857 638728 511386.8571 200374.2857 515357.1429 550287.1429 692128 668908 440769.4288 819674.8571 560142.5714 866040.2857 537102 622245.4286 595393.4286 416198.5715 754115.7143 548071.3793 602381.2903 384888.9157 1100291.667 578240 592140.8571 372813.4286 731759.1429 495117.1429 569872.8571 502643.1429 560288.8571 392820 702592.5714 706099.4286 559432 562891.1429 815124 633728.5714 626346.5714 496660.5714 532417.1429 333184.5714 536117.7143 479227.1429 180438.2857 581547.4286 388930 510521.1429 416832 312223.1429 463193.4286 412329.1429 1256466.857 715692.0588 384013.2353 454375.4286 492543.1429 355027.1429 387010.5714 562257.1429 640513.4286 405887.7143 685364 290258.2857 375820.8571 609224.5714 395807.7143 378964.5714 204268 723139.7143 612569.4286 848326.1765 684729.4286 368222.5714 535336.8571 447230 463110.2857 458796.8571 544575.4286 732906.5714 525608.8571 556389.7143 477387.4286 541597.1429 703072.5 709475 1287349.5 Pyridoxal Phosphate 1099173.626 1007530.266 952478.3724 493856.5378 739617.1377 454465.7839 386396.3657 334304.4043 502910.9481 498178.4107 478803.4965 330606.3843 621374.2282 505844.9734 757480.6055 1207163.576 581733.5879 761867.6948 974474.9554 534714.4968 393710.0959 795983.7758 827651.4043 468251.1048 488864.835 822186.6841 523372.6133 831423.144 450232.8735 474889.3923 247990.8448 477587.1362 503856.6395 472663.9273 648228.8374 507346.3573 NA NA NA NA NA NA NA NA NA NA NA NA 630403.552 263450.6463 373384.6519 507894.044 692280.7125 380651.6609 547428.2355 300613.7886 538663.1625 397665.8854 543496.7524 248370.019 362205.142 273619.6108 471726.8687 741697.4457 1042534.82 628569.6965 276220.0461 374220.1424 434161.4229 432477.7966 227792.8073 823612.7649 434138.6391 551837.5639 552679.0725 786271.8251 563328.1408 467921.316 774061.9482 522573.019 785581.7174 634683.0493 501140.476 1192693.873 829619.9231 529081.4302 1114606.276 414433.8396 840128.3801 437741.2522 516769.0699 589828.1025 695044.8376 979001.0866 897329.1497 547726.1773 644264.2762 361792.3882 550734.675 548218.8352 455412.3456 265730.861 454004.0458 1038528.084 369272.628 587286.8171 479337.5284 568328.1856 645798.4283 581389.8364 819586.5253 369509.8002 945620.3425 778518.0347 923784.5665 768369.0538 994573.8715 1194218.141 1069795.991 732635.9146 1379709.239 406434.7046 722726.6866 968364.7441 889047.3781 962077.3631 881199.1718 806120.0535 800009.8795 985130.914 trans Retinal 62610.57143 72699.71429 62880.28571 29181.42857 39649.12281 52814.83871 30061.93548 37929.42857 36170.66667 34823.14286 55320.64516 39890 45741.14286 26168.28571 56379.14286 51181.42857 39334 53932 42073.71429 41754.85714 38722.28571 25113.42857 44420.85714 51230.9375 24445.71429 41921.14286 38961.14286 46550.28571 57964.19355 48483.54839 32960.76923 86619.76744 90675.27778 26939.42857 36181.14286 63909.42857 71434 79917.42857 109279.7143 57396.85714 52250 66678 89427.42857 91116.85714 95921.71429 77881.71429 61452.28571 118313.4286 285632.8571 359952.5714 102341.4286 298524.5714 84890 308432.8571 151002 63941.71429 93970.28571 180258.2857 220430.8571 60808.28571 380652.5714 94176 249808.9655 31854.51613 50644.81928 68799 238616.8571 191102.2857 326840.5714 163615.4286 377163.7143 348968.5714 206251.4286 395064 325762.5714 184528.5714 384693.7143 97287.71429 259396.2857 144588.2857 355896.5714 359710.2857 427008.5714 150513.1429 306422.2857 140959.1429 403189.7143 380584.8571 329577.1429 129362.2857 351288.5714 155574 217542.2857 254870 314274.2857 80924 76651.17647 54125.88235 285853.1429 153837.7143 206466.8571 237414 261270.8571 350431.7143 372111.1429 324196.8571 482403.4286 398747.7143 309614.5714 191258.8571 154061.7143 397418.8571 45870.85714 67835.14286 76960.88235 71704.57143 37366.28571 51033.71429 41230.28571 56407.42857 39242.57143 26108.85714 51308 32155.14286 65444 43170.85714 41768.85714 49778.57143 48581.53846 131418.5 Tryptophan 20523574.15 10308978.65 11993062.67 7033724.912 9257207.645 7090138.771 4535067.419 3253267.193 8799851.777 6007764.599 15292463.83 6547549.22 11808604.42 7516339.222 10971159.08 19848364.18 7551169.359 6971095.016 13613146.28 13357325.69 8564068.81 10455192.64 10345091.17 6700174.473 7022511.429 10329680.07 7564988.25 7975460.175 7935746.32 8151387.325 2923005.264 7835785.525 5212744.991 10223706.49 27141663.4 9754415.923 NA NA NA NA NA NA NA NA NA NA NA NA 11352705.71 16263821.26 12533396.92 16357254.03 9708360.252 6564381.457 16574301.49 8171082.453 5729529.004 4934625.722 8801516.527 2606701.083 21574315.69 5506966.886 17461215.79 7917497.221 8139730.473 9436263.303 8682466.059 7928373.388 4064286.716 9337189.481 5715492.859 10928189.22 11443810.27 10657750.29 13708905.3 8608560.203 4692045.245 10564174.61 22052581.76 9238395.092 18491909.32 7427636.389 10953671.26 15455276.3 12495354.98 10616290.38 7592793.081 7000059.717 6389208.55 6743986.126 6256514.057 6985332.001 7319821.132 8092102.399 12255876.59 18685555.87 14832530.77 14468679.54 9158107.35 7235541.581 5822482.369 3928931.938 6134694.532 9173789.69 7037058.006 8524091.71 11322949.97 14512266.97 10643597.88 11105605.94 10782823.87 8189192.29 24652214.52 12819387.59 13741092.27 10237954.93 8814668.547 16953047.04 9176677.545 5709357.912 5806685.64 19075464.24 6956617.635 7486901.555 10425912.1 6646943.123 10537612.56 8055318.274 6759020.405 13778438.64 Vanillic Acid 12942.50437 11438.62765 13018.36515 32631.75014 17562.92024 169606.5369 68908.90069 20026.28262 64776.51409 40455.11973 507693.4101 128806.9737 22109.03213 75590.43672 34398.92425 17888.21802 22984.87058 27954.36237 17596.61266 27188.37298 25772.68647 35171.08226 25408.46374 13904.25926 72098.57022 42733.79454 73141.14853 140495.9735 76399.33122 53436.81408 10531.70098 68254.9403 32175.27454 36647.56055 61420.86494 203211.8029 56892.42504 25040.21301 47345.12116 44860.23826 49429.55081 55679.32306 61926.61568 27526.0776 43057.66819 33635.12835 57485.16312 75658.5122 118760.9831 68436.38459 74488.89199 17852.44062 18073.13573 25445.87861 17464.57585 17379.82687 52917.86722 25230.69103 27361.82685 15406.22508 14858.94666 14437.44436 245560.862 13662.47459 34836.59096 53262.84826 22661.48248 14562.65363 11209.20013 21574.77677 18406.3066 19944.27887 28861.02276 30426.84076 19583.9466 12813.45248 31053.22947 28715.04478 26469.76288 19000.20967 17534.97941 50243.43432 26356.95417 33824.30067 67095.03414 62152.42544 23118.31683 34165.70439 80129.78311 64890.79738 28061.5034 83106.95172 51079.1573 32421.18315 50138.44116 244601.9034 34579.08694 98913.97349 95838.60597 49525.81525 370359.7899 50816.60441 62546.39044 58181.43622 88707.31197 206316.6382 28471.00931 27870.37819 31964.60091 16616.64418 17415.10656 892194.1254 12202.36249 11915.13909 11921.0757 15536.24576 69295.89266 34467.2763 26896.20117 139571.6667 38200.99424 11452.4053 60359.13636 378438.6624 11852.15084 11031.61107 42866.48302 13664.65349 15036.8507 209075.6611 Vitamin B2 620814.6408 508911.5559 395171.3052 443980.867 549466.6016 419361.489 302371.294 434747.8933 653628.0163 529356.6717 396577.1924 342971.8482 403241.3176 461309.504 453765.9232 807958.3281 504905.6222 660669.4086 477911.7513 581708.6038 1009175.253 619713.659 396485.9566 395040.6872 369304.857 495623.141 614097.5589 393321.9349 319734.3531 486274.4681 265387.501 304247.5603 461643.6733 498221.7318 541051.8024 460025.7026 696026.8798 688925.9231 1080111.635 1370746.269 1242484.9 1030698.721 761666.4932 1004811.342 1439813.786 667567.6805 1427247.338 879919.4621 718047.9302 841374.9684 842687.0632 946745.2142 1148115.7 1406855.765 1307209.436 1297176.342 868264.7923 794216.6673 1874416.79 746515.0738 1580573.895 1823578.225 1035029.844 420787.4721 540788.5261 472405.2036 1424230.901 864931.056 401363.405 695134.0291 1203275.033 924280.6466 1557461.071 1518736.149 1294661.127 1006504.099 491549.6949 1580358.593 1406103.037 1656499.219 1530690.834 1617196.147 1542355.38 1495907.28 1668874.783 1294965.083 891695.9318 880484.0549 908956.2084 887319.8251 648944.7792 1129345.894 1178518.783 1255020.299 1230351.287 424594.6897 482251.8823 472242.4753 1040541.727 1054051.039 675383.7589 928433.3949 941795.0895 1038827.722 845627.8585 998885.4341 1213004.045 1118941.694 876459.9123 790305.3669 1096782.839 1076024.891 347601.1379 373934.411 424950.6508 386582.184 495685.4527 481390.8001 5138.254189 345087.6836 415540.0957 419556.7434 361362.6139 557426.4633 409693.1873 442464.2168 554232.7374 401665.6879 481979.7882 548983.0656 Vitamin B5 165019.9725 74503.8794 54152.1787 67859.97239 53814.13042 65511.59721 74850.96491 54189.14871 76761.57545 85750.41299 128583.4516 63421.21649 177669.9517 101045.7187 56436.11932 139742.3845 70565.79606 88714.64621 152870.2912 58745.52127 84746.32321 62098.39341 96939.12746 64579.68735 120198.6429 62390.28996 55239.45091 138992.4507 104232.446 94551.74264 91842.85926 114968.5519 100546.5357 78578.74718 109810.2979 131494.9149 NA NA NA NA NA NA NA NA NA NA NA NA 245510.8339 167657.6355 59966.25129 23082.07263 23088.22963 20332.93741 42408.44657 26419.20416 19301.15241 23425.47883 53606.59989 16884.15735 72316.85699 22745.17774 52392.3805 400014.1937 21840.97999 125753.6261 16748.1615 39227.68211 42831.6825 29819.57157 13935.49719 27631.77731 47308.76456 40613.19069 51576.19805 92706.7837 22014.6454 29017.71099 53506.0183 20904.97034 28282.15743 36144.67945 31185.99822 144372.1818 149149.4389 103237.2636 155553.5389 89892.83256 125940.7327 83680.30428 111827.1367 102218.6808 94103.75671 145212.6335 159661.7351 129104.3498 43063.12026 205375.3852 132813.4688 112291.5376 173520.9972 49653.36772 66306.44331 204353.1058 67319.19083 103056.8587 47557.51473 207501.9688 78433.43795 66042.20668 109061.393 143339.1295 85463.87667 32005.19848 68554.74924 77488.17017 86052.4527 74894.90931 79565.91886 107523.2258 34780.56302 221630.8405 54844.95945 245225.8185 89913.20073 56460.88117 89340.22119 23069.96321 36666.3376 78679.08594 Xanthine 9386700.271 4068220.839 4893160.179 3117337.849 3010653.425 1755127.685 2104254.732 1644129.455 2669754.523 4380439.246 4296361.887 2758419.24 4745924.335 3867394.855 4967664.861 12196428.87 5741178.571 6486796.589 7016526.786 3264665.41 3522494.306 4427182.388 4487567.904 2222157.907 3639048.43 4093283.818 2537869.369 4571524.403 2492143.76 2876803.005 1192278.856 1576363.728 1835484.517 5596888.655 5678310.059 5547130.474 NA NA NA NA NA NA NA NA NA NA NA NA 8201998.301 4650709.41 2921670.505 5798847.456 5775053.527 3158874.777 11334720.96 4188776.22 3601355.176 5160208.414 7150297.706 2101972.319 7279165.012 3781633.622 4489607.108 4998861.905 7235155.386 3094016.649 5004466.543 4938188.639 3969862.86 5589759.521 4790180.384 14005215.25 9230373.059 9785948.122 8234277.569 10003659.97 3121238.917 8360420.241 11499168.99 6540698.845 16781617.8 10234886.72 10196508.58 11576884.16 10569347.12 4669995.575 10515138.45 6251119.352 8872354.536 3086441.461 3816283.128 4558215.999 6398020.386 11344587.19 9290182.896 3082645.66 4516994.12 3894051.138 5915412.509 6998321.123 3918584.057 2582190.212 4463778.149 14105752.56 4289235.247 3374873.068 5402676.321 8481080.518 7072369.817 4748192.514 9846279.993 5891894.822 4362577.009 3801427.075 4141031.035 3081269.595 6938357.017 5428499.694 7318759.448 3605421.785 7343679.515 5149063.513 3598053.177 7077956.824 4365168.432 7236900.453 5756712.043 3945246.368 4687637.781 4236700.645 metabolite_name CHEBI KEGGNAME quantitated m/z KEGG ID IAA CHEBI:16411 Indole-3-acetate; Indole-3-acetic acid; (Indol-3-yl)acetate; Indoleacetate; Indoleacetic acid; IAA 176.071154 C00954 Adenosyl Methionine CHEBI:15414 S-Adenosyl-L-methionine; S-Adenosylmethionine; AdoMet; SAM 399.145066 C00019 Vanillic Acid CHEBI:30816 Vanillate; Vanillic acid; 4-Hydroxy-3-methoxybenzoate; 4-Hydroxy-3-methoxybenzoic acid 169.050085 C06672 Tryptophan CHEBI:16828 L-Tryptophan; Tryptophan; (S)-alpha-Amino-beta-(3-indolyl)-propionic acid 205.097703 C00078 Adenosyl Homocysteine CHEBI:16680 S-Adenosyl-L-homocysteine; S-Adenosylhomocysteine 385.129416 C00021 Pyridoxal Phosphate CHEBI:18405 Pyridoxal phosphate; Pyridoxal 5-phosphate; Pyridoxal 5'-phosphate; PLP 248.032402 C00018 Dimethyl glycine CHEBI:17724 N,N-Dimethylglycine; Dimethylglycine 104.071154 C01026 Glutathione CHEBI:16856 Glutathione; 5-L-Glutamyl-L-cysteinylglycine; N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine; gamma-L-Glutamyl-L-cysteinyl-glycine; GSH; Reduced glutathione 308.091634 C00051 Xanthine CHEBI:15318 Xanthine 153.041251 C00385 Vitamin B5 CHEBI:7916 Pantothenate; Pantothenic acid; (R)-Pantothenate 220.118498 C00864 Kynurenine CHEBI:16946 L-Kynurenine; 3-Anthraniloyl-L-alanine 209.092618 C00328 Indole 3 acetamide CHEBI:16031 (Indol-3-yl)acetamide; Indole-3-acetamide 175.087138 C02693 Chitobiose CHEBI:28681 Chitobiose; Diacetylchitobiose; N,N'-Diacetylchitobiose 425.177138 C01674 Caffeine CHEBI:27732 Caffeine; 1,3,7-Trimethylxanthine 195.088201 C07481 Pyridoxal CHEBI:17310 Pyridoxal 168.066069 C00250 Hydroxo B12 CHEBI:27786 Hydroxocobalamin; Vitamin B12a; Hydroxycobalamin; Hydroxycob(lll)alamin 664.7861 C08230 Methyl indole 3 carboxylate NA NA 176.071154 NA Vitamin B2 CHEBI:17015 Riboflavin; Lactoflavin; 7,8-Dimethyl-10-ribitylisoalloxazine; Vitamin B2 377.146111 C00255 Arachidonic Acid CHEBI:15843 Arachidonate; Arachidonic acid; (5Z,8Z,11Z,14Z)-Icosatetraenoic acid; cis-5,8,11,14-Eicosatetraenoic acid 305.248055 C00219 DHA CHEBI:36005 (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid; 4,7,10,13,16,19-Docosahexaenoic acid; Docosahexaenoic acid; Docosahexaenoate 329.248055 C06429 EPA CHEBI:28364 (5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid; (5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoic acid; Eicosapentaenoic acid; 5,8,11,14,17-Icosapentaenoic acid; (5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoate 303.232404 C06428 trans Retinal CHEBI:17898 Retinal; Vitamin A aldehyde; Retinene; all-trans-Retinal; all-trans-Vitamin A aldehyde; all-trans-Retinene 285.22184 C00376 7-dehydrocholesterol CHEBI:17759 7-Dehydrocholesterol; Provitamin D3; Cholesta-5,7-dien-3beta-ol 367.336475 C01164 Ergosterol CHEBI:16933 Ergosterol; Provitamin D2 379.336475 C01694