metabolite_name nHTP_5neg_D21_1-1-9BN7 nHTP_5neg_D21_1-2-3MZX nHTP_5neg_D21_1-3-4UDC nHTP_5neg_D21_1-4-8UHC nHTP_5neg_D21_1-7-6CNN nHTP_5neg_D21_1-9-5BBH nHTP_5neg_D21_1-10-3TML nHTP_5neg_D21_1-11-3UU4 nHTP_5neg_D21_1-13-2AYD nHTP_5neg_D21_1-15-0RED nHTP_5neg_D21_1-47-2AMQ nHTP_5neg_D21_1-51-2MT7 nHTP_5neg_D21_1-52-6YZK nHTP_5neg_D21_1-55-5CHY nHTP_5neg_D21_1-60-0YGG nHTP_5neg_D21_1-65-7VN0 nHTP_5neg_D21_1-67-6MX8 nHTP_5neg_D21_1-69-7PTF nHTP_5neg_D21_1-70-6PY4 nHTP_5neg_D21_1-71-6RUQ nHTP_5neg_D21_1-72-4PGJ nHTP_5neg_D21_1-73-1BX5 nHTP_5neg_D21_1-74-7KCK nHTP_5neg_D21_1-76-3XMZ nHTP_5neg_D21_1-77-9AYB nHTP_5neg_D21_1-78-6ULA nHTP_5neg_D21_1-79-4UE4 nHTP_5neg_D21_1-83-2BDX nHTP_5neg_D21_1-84-4UWU nHTP_5neg_D21_1-85-0KM5 nHTP_5neg_D21_1-86-2RHE nHTP_5neg_D21_1-87-8AF8 nHTP_5neg_D21_1-88-0HF9 nHTP_5neg_D21_1-89-7GXD nHTP_5neg_D21_1-93-1NRT nHTP_5neg_D21_1-94-1UJ7 nHTP_5neg_D21_1-95-8GZF nHTP_5neg_D21_2-1-2GGN nHTP_5neg_D21_2-2-5NL0 nHTP_5neg_D21_2-3-5KPV nHTP_5neg_D21_2-6-8XWP nHTP_5neg_D21_2-7-9JX3 nHTP_5neg_D21_2-8-3XHT nHTP_5neg_D21_2-9-8HZ9 nHTP_5neg_D21_2-10-2JAL nHTP_5neg_D21_2-11-4ZCA nHTP_5neg_D21_2-12-6LKL nHTP_5neg_D21_2-13-0CYL nHTP_5neg_D21_2-16-5MH0 nHTP_5neg_D21_2-18-0GGN nHTP_5neg_D21_2-19-4VEE nHTP_5neg_D21_2-20-2YMY nHTP_5neg_D21_1-3CMM nHTP_5neg_D21_3-8FHC nHTP_5neg_T21_1-5-1GY7 nHTP_5neg_T21_1-6-0EE7 nHTP_5neg_T21_1-8-4PMR nHTP_5neg_T21_1-12-4LD9 nHTP_5neg_T21_1-14-4VXW nHTP_5neg_T21_1-16-7KNQ nHTP_5neg_T21_1-17-7EHX nHTP_5neg_T21_1-18-5CHL nHTP_5neg_T21_1-19-5ZWX nHTP_5neg_T21_1-20-5FY5 nHTP_5neg_T21_1-21-6TLT nHTP_5neg_T21_1-22-6DP4 nHTP_5neg_T21_1-23-0YAH nHTP_5neg_T21_1-24-4GUY nHTP_5neg_T21_1-25-2XUP nHTP_5neg_T21_1-26-5XRL nHTP_5neg_T21_1-27-6ZW0 nHTP_5neg_T21_1-28-5RRG nHTP_5neg_T21_1-29-5RGW nHTP_5neg_T21_1-30-1FZY nHTP_5neg_T21_1-31-3JKP nHTP_5neg_T21_1-32-3WYK nHTP_5neg_T21_1-33-1NZ1 nHTP_5neg_T21_1-34-0VWZ nHTP_5neg_T21_1-35-6EWH nHTP_5neg_T21_1-36-9CVU nHTP_5neg_T21_1-37-5ZL6 nHTP_5neg_T21_1-38-3LZ7 nHTP_5neg_T21_1-39-1CLB nHTP_5neg_T21_1-40-0MZ9 nHTP_5neg_T21_1-41-0VFZ nHTP_5neg_T21_1-42-1MWV nHTP_5neg_T21_1-43-2KFA nHTP_5neg_T21_1-44-1HKK nHTP_5neg_T21_1-45-7LKJ nHTP_5neg_T21_1-46-4BBH nHTP_5neg_T21_1-48-2MMJ nHTP_5neg_T21_1-49-0PFV nHTP_5neg_T21_1-50-2CD7 nHTP_5neg_T21_1-53-3MXT nHTP_5neg_T21_1-54-2AVT nHTP_5neg_T21_1-56-6GTA nHTP_5neg_T21_1-57-4GE0 nHTP_5neg_T21_1-58-6EX8 nHTP_5neg_T21_1-59-1PPQ nHTP_5neg_T21_1-61-8PP5 nHTP_5neg_T21_1-62-8NJ3 nHTP_5neg_T21_1-63-0UYM nHTP_5neg_T21_1-64-0XRV nHTP_5neg_T21_1-66-5TRE nHTP_5neg_T21_1-68-4UEC nHTP_5neg_T21_1-75-6NMG nHTP_5neg_T21_1-80-3RCZ nHTP_5neg_T21_1-81-5YNB nHTP_5neg_T21_1-82-3HTP nHTP_5neg_T21_1-90-5JX6 nHTP_5neg_T21_1-91-6CEC nHTP_5neg_T21_1-92-4GDZ nHTP_5neg_T21_1-96-3KGT nHTP_5neg_T21_2-4-4AHX nHTP_5neg_T21_2-5-9RZH nHTP_5neg_T21_2-14-2NH4 nHTP_5neg_T21_2-15-0FPN nHTP_5neg_T21_2-17-5TJT nHTP_5neg_T21_2-21-5EY4 nHTP_5neg_T21_2-22-1XL6 nHTP_5neg_T21_2-23-9AAT nHTP_5neg_T21_2-24-0NL4 nHTP_5neg_T21_2-25-0NB8 nHTP_5neg_T21_2-26-4ZRU nHTP_5neg_T21_2-27-7LEW nHTP_5neg_T21_2-28-7WZ3 nHTP_5neg_T21_2-29-5PPX nHTP_5neg_T21_2-8AUL nHTP_5neg_T21_4-3XNJ Allantoin 276217.90 72545.72 282461.90 264923.60 330109.60 255339.50 343052.10 235635.90 126882.30 239178.20 215838.30 122977.40 155936.30 115022.60 211582.30 89675.16 55814.99 166458.60 116275.00 175090.00 146077.60 130120.10 208224.50 77451.85 205282.60 126667.50 105398.40 321212.20 116924.80 159945.40 124814.70 177676.80 282708.60 171723.30 120190.70 185448.40 161806.50 668648.10 289419.30 359326.00 175080.80 114016.90 213916.50 214552.70 228353.60 249991.00 267440.50 282303.80 71023.49 159718.50 179465.80 159403.00 117250.90 256976.50 481552.60 156977.00 103695.10 215003.00 218296.30 140220.90 161587.00 344696.70 172288.10 105317.00 347015.20 90135.21 217890.60 553074.60 109025.60 230692.90 232116.40 286817.10 75507.88 337408.00 237444.90 78223.95 346264.30 297634.20 198389.00 183602.10 88701.21 63709.53 85840.82 164274.50 257988.90 137352.50 224290.80 173302.00 37091.33 143705.50 100526.50 109674.60 157469.20 106058.80 99550.38 108128.90 193760.30 124226.90 373041.20 46319.64 212069.10 249358.90 467749.50 70943.78 79926.29 121524.80 131177.70 104384.20 170816.80 438405.10 307026.30 164222.40 158296.80 144393.40 182790.80 34380.46 73482.52 31352.64 210715.40 185437.90 161749.20 117741.70 158218.00 182650.50 168989.20 260012.70 189455.40 122212.60 54485.86 Urate 52019690.00 40794700.00 44045070.00 62977610.00 53109180.00 60507340.00 69561860.00 87655730.00 65534180.00 45360480.00 88808900.00 70318670.00 75672900.00 71127770.00 76566280.00 66080550.00 63190880.00 72249060.00 82866710.00 60640130.00 85361100.00 74319910.00 97609210.00 102280900.00 93053340.00 48212910.00 60936130.00 88562180.00 65678610.00 82088540.00 112656500.00 73868810.00 77285850.00 55640300.00 99640260.00 67908700.00 98335260.00 72736630.00 72466840.00 59188500.00 94349400.00 84805350.00 81177380.00 74109460.00 63451680.00 62311680.00 90070720.00 71637440.00 44015280.00 82750150.00 84976940.00 48443310.00 112577800.00 109661600.00 81822320.00 75802040.00 68568900.00 129501400.00 62661250.00 57387140.00 110931900.00 88579350.00 93324180.00 92442860.00 84803530.00 78058270.00 104132900.00 49198710.00 85932350.00 141863900.00 78599010.00 75602410.00 118673100.00 67074850.00 70773500.00 149423400.00 66789640.00 94441920.00 112109700.00 96514890.00 94201300.00 108376600.00 87250890.00 88286790.00 94019200.00 98096710.00 137890800.00 104545700.00 63072850.00 141981600.00 83629460.00 97480900.00 84527060.00 68786230.00 78846630.00 80835820.00 137114900.00 45591570.00 130248400.00 110174100.00 76334370.00 119445900.00 91513460.00 96886530.00 55127990.00 87082020.00 57263620.00 67604660.00 60585290.00 110803900.00 78538540.00 78004150.00 100121900.00 50624280.00 99035000.00 43369930.00 67507010.00 110336700.00 68164460.00 92834110.00 96253370.00 78843140.00 90146460.00 111603700.00 72902500.00 75258650.00 94694840.00 55301450.00 45455920.00 3',5'-Cyclic IMP 73612450.00 69932030.00 59920740.00 72904760.00 57986980.00 82583460.00 58834370.00 80540140.00 72299560.00 65114640.00 69303990.00 76403850.00 76737120.00 67997060.00 61270160.00 78338500.00 65534930.00 70946500.00 78907620.00 76133580.00 72761640.00 65611280.00 60672590.00 57269470.00 66041280.00 73775160.00 51687220.00 67258980.00 80891290.00 68499930.00 73244530.00 81294630.00 73759460.00 68297860.00 87758710.00 61218620.00 105591900.00 72108440.00 55692690.00 62295950.00 65828530.00 54572960.00 70095080.00 69778850.00 93023300.00 57661760.00 63570110.00 89589990.00 65381740.00 82521050.00 80826050.00 64840400.00 41319150.00 65893080.00 72234620.00 67824070.00 79954010.00 51995550.00 51304400.00 65706190.00 62193620.00 73735580.00 78718730.00 64116610.00 74484470.00 70282050.00 81907560.00 78168200.00 64270160.00 88080350.00 61539440.00 70468460.00 74435500.00 66379620.00 56590620.00 83851350.00 61145130.00 90911960.00 52222680.00 83323200.00 95997350.00 66975450.00 60898260.00 69099380.00 73313370.00 81268830.00 63243150.00 52047060.00 61414960.00 84796960.00 59328050.00 69379910.00 73732220.00 56219680.00 58915340.00 74930760.00 46855540.00 57529600.00 83578300.00 50258100.00 51756060.00 57316330.00 60697060.00 63888100.00 61737130.00 72161670.00 65549250.00 80272620.00 76983790.00 57691120.00 44888030.00 60679680.00 66622460.00 47433060.00 82290850.00 71813500.00 52351370.00 63721420.00 63118810.00 54025050.00 76538210.00 80243020.00 71777290.00 69615260.00 71839560.00 72027220.00 70685690.00 65446890.00 61170330.00 Phosphate 33931720.00 37952260.00 32391650.00 24990770.00 26045970.00 26819420.00 29784080.00 25007610.00 22664950.00 25371130.00 38903530.00 25087170.00 21231850.00 33540570.00 29799010.00 22488340.00 23510590.00 17798040.00 20787560.00 21784790.00 23715010.00 34985540.00 29375250.00 30061300.00 31617570.00 38248900.00 24552550.00 25591500.00 25214810.00 22816600.00 34390460.00 24465920.00 30068840.00 26523230.00 22665500.00 20929120.00 26976080.00 44821120.00 24923810.00 30860000.00 32419030.00 28887350.00 23313470.00 25096610.00 19905870.00 27369880.00 24890250.00 32491690.00 21683860.00 31595540.00 25304650.00 35167300.00 25575560.00 29495290.00 31717960.00 34925530.00 31429060.00 31527800.00 24359860.00 34118680.00 41226170.00 26428500.00 32709090.00 35826860.00 35516290.00 32860390.00 24518090.00 35431890.00 37273860.00 37032060.00 22575170.00 26928640.00 35160860.00 29933790.00 29496890.00 27938610.00 38504560.00 28482060.00 28738630.00 38194740.00 32429700.00 22010750.00 39992940.00 28330470.00 30479800.00 28747490.00 31299020.00 25641430.00 31208490.00 27835240.00 28034220.00 42624720.00 26611980.00 42096860.00 45165870.00 27903510.00 29610660.00 21356110.00 39062750.00 26104590.00 33671870.00 50454350.00 23668580.00 31348820.00 27300450.00 41239170.00 37577280.00 24803470.00 22535940.00 26365930.00 26896740.00 26874700.00 48406540.00 43699720.00 25392640.00 33725420.00 25808500.00 30594220.00 30498840.00 38346830.00 34810830.00 34557010.00 32236420.00 46474560.00 33965440.00 29488050.00 36774160.00 34329460.00 31160130.00 Diphosphate 459306.20 437548.50 542452.80 237290.90 411200.70 236174.20 426362.80 239363.90 233831.80 287096.90 538000.70 236087.50 208795.80 384436.00 463890.80 202277.10 277322.70 159834.60 158268.80 175906.70 234186.10 284840.40 263771.50 415714.40 354647.50 443523.60 262020.40 247875.20 216020.40 224501.70 366375.30 152897.40 304835.60 332946.40 244439.80 225014.20 366237.20 892580.20 400749.70 427724.70 267693.80 389232.80 324602.20 206374.00 202560.30 334922.70 268489.30 347667.20 181510.20 358803.50 214385.60 563845.50 244081.80 292876.70 409746.40 342557.30 337327.50 467745.80 505784.20 501755.10 650675.60 295125.50 392141.50 471024.60 479207.20 439184.60 198937.00 343042.80 493415.50 503901.60 247454.40 302509.00 562180.10 353754.80 426820.60 327290.00 476560.90 380728.00 262489.40 514541.90 326618.70 155734.10 614356.80 335181.40 425164.20 325925.20 358377.00 263046.80 413443.20 317177.90 289285.40 640904.20 294914.60 826434.60 666883.80 402254.50 339260.00 209160.60 542404.30 393707.20 459443.50 918161.50 211406.80 411539.80 379753.90 588085.30 521521.90 210943.10 191387.50 281711.00 305447.30 322572.40 751467.30 758445.90 262436.80 770367.20 283770.70 500774.60 328637.10 670025.80 419926.80 470564.50 320673.80 743224.90 409600.50 427361.80 507382.20 476123.80 419730.20 D-Glucose 46992640.00 51506640.00 55945210.00 38943470.00 61420320.00 50322320.00 31972410.00 56588950.00 57026710.00 54036210.00 41434410.00 42720780.00 62511090.00 53533800.00 63564190.00 51991700.00 52010530.00 62819650.00 28887610.00 68098850.00 71424630.00 52331760.00 74467080.00 51680080.00 44932930.00 50237230.00 50560350.00 64776260.00 34094840.00 45588080.00 47970600.00 51390270.00 75881950.00 65569650.00 56067100.00 57097500.00 49694440.00 59906600.00 89264470.00 51806090.00 61592440.00 41484600.00 45940020.00 103024500.00 64273530.00 45677300.00 64087520.00 65013950.00 46896590.00 67822650.00 52388060.00 54389700.00 70018940.00 52294400.00 50203470.00 52306910.00 59254360.00 65166540.00 61540770.00 49607710.00 48216990.00 33682990.00 35645240.00 46567440.00 67431840.00 59955830.00 56375280.00 59837070.00 43706470.00 73578710.00 50430710.00 61149240.00 51174260.00 68856010.00 67466690.00 65996360.00 42358000.00 46401880.00 36175020.00 59949150.00 26559460.00 57164080.00 59764700.00 62881290.00 49011520.00 41503270.00 49299770.00 39263560.00 47822890.00 60812010.00 47357930.00 29081620.00 48635240.00 59472900.00 50686880.00 64222190.00 57207120.00 68300650.00 46073420.00 75500550.00 58502630.00 46885070.00 42002720.00 53360600.00 49607160.00 50589460.00 37382820.00 58608490.00 53378850.00 40643700.00 46652290.00 42738750.00 47894270.00 48865580.00 61848560.00 48552360.00 52119180.00 48594990.00 49341090.00 53609940.00 47852940.00 56510370.00 43713860.00 37380030.00 44615140.00 52837780.00 57407230.00 37751240.00 48548940.00 D-Glyceraldehyde 3-phosphate 57993970.00 63255160.00 54196240.00 70278020.00 51532300.00 73764980.00 60497130.00 64808520.00 48609810.00 55986370.00 73013000.00 63493280.00 74656200.00 46358160.00 64075170.00 58300640.00 64526060.00 81616890.00 67893030.00 99150950.00 55185650.00 77013460.00 72795390.00 62581520.00 58004440.00 72604870.00 60179470.00 55994160.00 65658200.00 56637040.00 110850600.00 66241400.00 60993370.00 63084910.00 48542400.00 56068640.00 60245140.00 68326870.00 66077940.00 41197520.00 79951270.00 48029460.00 56230540.00 58213440.00 54429840.00 53705410.00 59033270.00 95177990.00 61876490.00 66021160.00 65902570.00 61216030.00 78212820.00 52397010.00 72915550.00 81309010.00 69474140.00 62889360.00 62784940.00 65357490.00 58906300.00 69558620.00 42415510.00 63927940.00 66595500.00 66813570.00 67513860.00 90886080.00 54738680.00 87101980.00 61455160.00 59685520.00 59049880.00 66373100.00 74052040.00 56902620.00 65499200.00 58395480.00 92808300.00 85968490.00 61517900.00 90946460.00 64624270.00 61009380.00 67263900.00 70027110.00 66462160.00 84394850.00 65134990.00 64483760.00 84392570.00 73028870.00 79849370.00 54349230.00 77261730.00 80561260.00 38942750.00 73718440.00 61569890.00 67497980.00 63218140.00 67504140.00 57843860.00 63417600.00 60191880.00 64635990.00 75591930.00 62389010.00 82202010.00 113639500.00 71875530.00 56147720.00 63909260.00 91745050.00 60826480.00 62080700.00 65243680.00 57025680.00 63187280.00 44498920.00 69209180.00 74529430.00 52516100.00 72662400.00 87947450.00 65601870.00 68807720.00 53894840.00 70334150.00 Pyruvate 8149678.00 8897363.00 6691290.00 10023550.00 7053110.00 8338968.00 8520239.00 9199783.00 10119330.00 7485978.00 17723920.00 20695380.00 14032660.00 12161640.00 9657855.00 10331710.00 11772460.00 16064570.00 13775200.00 10019860.00 12523210.00 11719840.00 8058112.00 11964610.00 10936850.00 13207700.00 9991568.00 10754120.00 14353430.00 13972810.00 19139830.00 10391760.00 12879670.00 10489250.00 17449290.00 8768459.00 13616970.00 10081430.00 15785010.00 12755310.00 12252900.00 9874357.00 13935930.00 13310490.00 5758420.00 9331507.00 6691968.00 11903750.00 9860965.00 9706665.00 11485560.00 6615044.00 15543400.00 16871440.00 7616412.00 11099340.00 8166260.00 10065050.00 6048566.00 8655750.00 15304440.00 7134456.00 12578900.00 9354967.00 9689656.00 9153071.00 6805726.00 8610917.00 10516020.00 10386510.00 9746963.00 9690067.00 19034010.00 9125971.00 10370030.00 11753260.00 9122771.00 20192430.00 21988230.00 17110340.00 14367040.00 14757650.00 11769950.00 10304050.00 9581130.00 16355120.00 20852670.00 12041060.00 11992520.00 17531950.00 15547870.00 15319930.00 11051060.00 11896920.00 14468790.00 9418973.00 11157100.00 15760840.00 11359540.00 14772930.00 8447453.00 16136150.00 10188970.00 18844830.00 10128560.00 11549040.00 10152530.00 11451960.00 10608070.00 9576972.00 8237214.00 7634904.00 9054743.00 13471950.00 8623465.00 14636790.00 14053000.00 13892920.00 9891787.00 8902721.00 13662180.00 7420722.00 8389556.00 33115410.00 17365620.00 13953800.00 9568964.00 16793630.00 12925720.00 Lactate 65202130.00 56155460.00 46113230.00 89082060.00 57041890.00 82540750.00 57086720.00 69285940.00 59077430.00 64745960.00 133849500.00 134254100.00 77073300.00 102779500.00 65098510.00 91347300.00 81887520.00 85925460.00 107026400.00 75405620.00 121124500.00 82167100.00 61663730.00 87577700.00 140912800.00 135958400.00 84613130.00 92394660.00 115666500.00 175407200.00 113597200.00 93201140.00 105953900.00 106627400.00 141659000.00 64848240.00 118466700.00 90750270.00 108611600.00 87223590.00 119021600.00 65444550.00 113159400.00 95107360.00 71730750.00 112173300.00 59451300.00 128591400.00 68666620.00 123454200.00 77530860.00 54661240.00 179293900.00 108250900.00 47820600.00 81574530.00 57535940.00 92516840.00 45585270.00 54292900.00 114016300.00 41679280.00 82954400.00 58062640.00 81401640.00 52689070.00 51436890.00 62241560.00 79100870.00 73945770.00 56954550.00 96631270.00 124637200.00 90192220.00 152926300.00 76817960.00 81971010.00 152116000.00 185767800.00 175193200.00 150910600.00 145528400.00 79506140.00 80157320.00 118812100.00 104420400.00 191132800.00 109207300.00 77064900.00 178095100.00 140478600.00 140277300.00 80832590.00 126576300.00 93911170.00 73185270.00 93712380.00 129197400.00 80083190.00 101373200.00 56517490.00 127091000.00 77069160.00 124903600.00 78844650.00 83726950.00 99468990.00 80787010.00 70889060.00 132315000.00 70782340.00 62262000.00 58327740.00 121760800.00 66929980.00 173312400.00 157987200.00 103947800.00 75453890.00 66979830.00 139135200.00 40384570.00 84084380.00 278609700.00 238179000.00 63742600.00 70376300.00 127704200.00 109433900.00 Mannitol 1396704.00 1399223.00 826050.20 765615.90 676710.50 1984412.00 966893.00 857228.00 1945949.00 889290.80 743244.60 917214.50 726704.30 942442.80 1361283.00 467632.10 742045.60 1007214.00 539514.30 552618.30 853812.60 525229.70 499904.90 938920.20 743096.80 773075.20 1233938.00 1054560.00 2118328.00 840948.30 798427.50 1851995.00 744289.70 497967.40 970993.30 494950.70 596998.70 1158992.00 468823.00 653761.20 689610.70 413516.80 767497.60 826015.90 1034073.00 1729924.00 769306.20 676107.40 507946.00 640828.40 438886.90 604295.30 700114.80 927629.30 14347750.00 1427200.00 363965.20 1472101.00 52455280.00 770477.40 723540.70 769668.80 857361.80 2140160.00 1467245.00 681468.00 1009871.00 996779.20 558937.80 894056.90 1073497.00 803518.80 1424173.00 789457.30 693266.60 439083.80 752633.20 1250008.00 2090413.00 747296.80 829994.20 1157151.00 864471.20 759637.30 836862.70 506507.30 922819.80 922877.80 560982.10 657955.20 1262646.00 1243060.00 1107999.00 1050106.00 743429.80 1652055.00 890627.00 1116985.00 1027903.00 1177108.00 668842.80 2398501.00 775499.10 337225.20 661137.20 737706.60 697415.50 538572.10 803418.90 4782268.00 544973.20 1218447.00 746506.50 914209.30 685239.70 454710.60 1727013.00 410724.50 488799.60 508602.00 630320.80 663800.30 676351.10 636642.40 802735.80 717576.80 4208360.00 2991881.00 574677.80 D-Ribose 3334993.00 1390567.00 4078251.00 1233967.00 6362094.00 1301931.00 2243574.00 3253779.00 2505044.00 1457848.00 1134845.00 1799868.00 2389141.00 1656454.00 2844445.00 1292378.00 1345232.00 1365731.00 2406964.00 4234936.00 1538453.00 1192565.00 1823915.00 1155200.00 1505152.00 1244781.00 3277035.00 1594029.00 3958246.00 1870291.00 1173609.00 1601949.00 1668691.00 1667363.00 2140803.00 1370310.00 5976412.00 1339176.00 2084677.00 1523087.00 1399692.00 2112338.00 7066282.00 2350001.00 1333492.00 866012.30 1494640.00 4939578.00 3314075.00 1493493.00 1466292.00 2183101.00 1571920.00 1790956.00 1805361.00 1722650.00 1285551.00 1392439.00 2572299.00 1596550.00 1613769.00 2173193.00 2128698.00 1115679.00 1860511.00 1460333.00 1476448.00 1897466.00 1609466.00 1604693.00 2017152.00 2432767.00 5352832.00 1840640.00 2815885.00 1853206.00 2483160.00 2607393.00 5442796.00 2558399.00 1870049.00 3761286.00 1535550.00 1413066.00 1091838.00 2261651.00 1974064.00 2732623.00 3040853.00 2383188.00 2615890.00 5873270.00 2317001.00 3013889.00 2768979.00 2767784.00 3359181.00 1832345.00 3039806.00 1826999.00 4343689.00 3706178.00 1409559.00 1205140.00 4019867.00 2349985.00 1119806.00 1565178.00 3433544.00 14350350.00 1168688.00 1743115.00 2890510.00 2717338.00 1582431.00 1354686.00 1548054.00 1334808.00 1714534.00 1417449.00 1055109.00 1336432.00 2364009.00 2050402.00 3097464.00 4780928.00 1683990.00 2644333.00 3005289.00 D-Rhamnose 2299551.00 894448.40 2198810.00 2266167.00 1595066.00 2952223.00 4448788.00 1441936.00 1302468.00 2706143.00 4087555.00 2304564.00 2541160.00 1091214.00 1715379.00 1894721.00 1591738.00 2268678.00 2727766.00 974304.30 1922252.00 2826454.00 2993530.00 2701569.00 3170272.00 1363043.00 1493187.00 3545671.00 2433770.00 2798643.00 3146119.00 3029842.00 1416256.00 1865632.00 3604434.00 2585804.00 2529937.00 5191356.00 3595691.00 2862943.00 1891014.00 2402200.00 2597556.00 2319437.00 3077693.00 4703550.00 2838358.00 901342.40 2538683.00 2295556.00 2135864.00 2962394.00 4379506.00 2879060.00 2212372.00 2404142.00 2334954.00 4310075.00 2872293.00 2780988.00 4111376.00 4425091.00 4189840.00 1876801.00 5806382.00 3079375.00 2923600.00 3707200.00 1724312.00 4187498.00 2626324.00 2583824.00 3597512.00 3532721.00 2902140.00 3347801.00 3609398.00 4504642.00 2607900.00 1639475.00 2786999.00 2454671.00 6027484.00 2894593.00 3407561.00 2054316.00 4059923.00 1380793.00 2372606.00 2764948.00 2953339.00 1945384.00 1889931.00 1410228.00 2470994.00 3245429.00 4559338.00 2428834.00 3457734.00 2089544.00 3851037.00 3716290.00 5180358.00 1213463.00 1575938.00 2746795.00 1036584.00 4225068.00 2622517.00 1314836.00 3803401.00 3283855.00 1991196.00 2463810.00 3383355.00 7286480.00 2065382.00 3385064.00 1182120.00 1783418.00 4717356.00 968110.00 3958035.00 3457266.00 1876390.00 2524080.00 3891009.00 2985904.00 1817326.00 D-Arabitol 281277.30 368444.30 549994.50 297073.50 400360.70 227764.40 508987.60 357012.60 1128958.00 395209.80 394872.40 457226.70 465764.20 618658.30 572182.00 1143100.00 422021.80 432633.30 350511.10 472978.00 365241.50 324260.70 291200.00 554818.20 423466.20 626779.80 456960.60 549173.10 268012.00 548211.10 743190.90 507120.60 419696.50 520157.70 471276.40 400280.40 898548.30 538442.60 451624.40 333714.60 419970.90 360382.40 551172.30 471790.60 442695.50 479478.20 486520.60 736562.80 613836.60 566841.40 589448.80 519006.80 353294.80 498541.30 899631.30 456032.50 397582.10 389936.30 481271.60 386618.90 410386.50 502476.90 432139.60 545092.20 890025.20 645829.80 555095.80 421506.00 406423.20 451770.60 503664.90 470780.20 786257.30 653831.70 559139.70 753263.70 472613.20 557498.80 520021.00 507070.40 330505.30 345330.40 353680.90 384985.70 457905.20 406806.60 368134.40 533507.30 651825.60 326155.80 562260.10 711588.50 519861.80 862276.80 522850.00 666426.70 627476.60 751940.80 409183.60 1283360.00 767352.20 678573.80 564962.50 597890.80 682336.90 541303.30 430734.90 481694.50 658675.60 1928180.00 443230.40 759182.30 450310.60 749921.20 647989.50 881367.20 752892.20 624483.20 612363.40 337776.50 357973.10 399401.60 543073.30 540681.90 469102.80 630248.80 558366.70 433270.80 388316.70 Citrate 47303130.00 36392550.00 30070040.00 29416540.00 20798910.00 49767050.00 42083590.00 38138080.00 39465520.00 28540170.00 42528170.00 63316600.00 41526500.00 44135850.00 28340280.00 48555330.00 60851600.00 38759420.00 35248630.00 37949180.00 42361320.00 53143650.00 38783180.00 42896480.00 39177750.00 68877450.00 41343550.00 35729440.00 32603950.00 39068720.00 53792360.00 36221940.00 40006240.00 50417010.00 52470600.00 35995810.00 28968530.00 35644180.00 37916070.00 30981470.00 64144850.00 31635640.00 49206410.00 47941140.00 38057740.00 47491720.00 37814080.00 36690320.00 46261280.00 54328400.00 34017820.00 60835460.00 59015990.00 51409180.00 38253840.00 38917550.00 44928460.00 37486020.00 37742750.00 40443880.00 51606080.00 49496090.00 45208590.00 53202010.00 35399100.00 42766500.00 30194750.00 46314340.00 37231840.00 36273880.00 32176360.00 32905300.00 75479770.00 26469640.00 44494900.00 37912670.00 52195230.00 36242420.00 58311700.00 29600820.00 42355980.00 43055550.00 29150000.00 44382830.00 57255670.00 45076270.00 45624080.00 50997700.00 49794140.00 42163850.00 41431440.00 52484250.00 45933340.00 36022360.00 37566700.00 56361020.00 39678020.00 42997900.00 46412650.00 52053450.00 42135200.00 49634590.00 44780240.00 50888660.00 39370700.00 56307610.00 35348130.00 49765280.00 38146090.00 34466460.00 33830910.00 33634340.00 32721060.00 54298820.00 49178580.00 78745480.00 64710450.00 44694030.00 38076200.00 44874590.00 40638620.00 44638470.00 40969980.00 48847620.00 50757760.00 36279340.00 63985600.00 44882130.00 54006690.00 2-Oxoglutarate 1252991.00 1296658.00 1056474.00 959718.00 1998817.00 1291542.00 1132278.00 1173212.00 1041618.00 1167521.00 1050136.00 1444686.00 1760919.00 1591922.00 1731634.00 1205013.00 1110148.00 1168984.00 1102698.00 1063013.00 2414795.00 1218924.00 1871532.00 1313057.00 1670240.00 1629690.00 1713834.00 4705098.00 1339158.00 1548382.00 1498298.00 1227658.00 1414420.00 2161665.00 926225.00 1000771.00 1287628.00 877366.20 1258604.00 1441076.00 1025003.00 1343617.00 1439783.00 1738562.00 937353.60 1283304.00 914137.60 1124848.00 1256343.00 2021856.00 1367472.00 1384516.00 2156363.00 1631435.00 1072296.00 1368229.00 1017329.00 2764437.00 732244.50 820432.40 1209713.00 1058522.00 1107594.00 1485773.00 1213124.00 1802143.00 1095274.00 1053931.00 1169296.00 1348049.00 1289958.00 2591994.00 1605580.00 1086261.00 1028196.00 2148636.00 1106659.00 1235512.00 2067673.00 2046422.00 1477794.00 1568598.00 1239452.00 1226322.00 1814230.00 1457202.00 1704424.00 1775554.00 1325012.00 1893097.00 1844696.00 1693326.00 1620899.00 2053912.00 3671759.00 1587610.00 3109519.00 2883205.00 1268913.00 1426353.00 1482970.00 2311794.00 1856323.00 2039764.00 2043097.00 1600814.00 1292319.00 1250096.00 1330116.00 1732802.00 1254858.00 1312838.00 1030670.00 1569854.00 1422284.00 2012562.00 1626463.00 1287179.00 1271315.00 1442837.00 1744641.00 1117120.00 1422200.00 2349542.00 1098532.00 1035946.00 1329430.00 1173044.00 1219596.00 2-Oxoglutaramate 370269.70 474637.70 452679.30 523155.20 345293.90 302226.50 315494.00 526405.20 437590.80 493836.80 429084.90 420148.80 601044.00 541086.40 512649.20 282021.00 531930.90 551131.50 494230.40 410806.50 505769.40 463985.10 522479.00 427957.70 479361.70 374241.20 369106.20 530496.20 445866.80 536231.40 454353.30 404582.00 500119.70 414782.90 469490.00 833579.70 616448.20 449909.80 360516.20 437476.30 430665.00 401779.40 494907.20 354001.20 255913.40 536715.30 423989.00 708085.20 386157.20 492580.60 501543.20 346155.10 669433.40 403448.10 412175.10 422216.80 487219.00 445913.30 574875.40 421477.70 476491.90 515731.50 903871.90 370437.50 415421.70 265404.60 318217.80 635829.30 495349.20 621882.70 463134.70 566254.60 505486.50 444717.80 585563.90 262717.20 558121.10 485574.80 640610.90 484585.70 737593.70 389693.30 580282.60 596920.10 486575.40 707469.70 681392.90 908258.20 375957.20 538623.90 413458.70 670906.10 649843.10 604538.00 844411.70 751280.70 661044.90 396614.00 526315.20 429387.80 515112.00 756163.70 489893.90 446374.40 405611.10 738348.50 442229.70 575393.80 604877.80 2768474.00 426627.80 506626.00 531748.30 548960.80 390091.50 654898.60 692359.20 561901.90 532863.30 470033.00 480593.10 468874.70 391505.50 532789.40 431094.80 492628.40 608400.90 534041.40 448904.60 Succinate 1080436.00 1188493.00 1654454.00 1186564.00 816889.30 666786.30 911803.70 1094779.00 946034.70 848530.40 745738.20 985625.70 958174.30 1371307.00 947657.10 1060691.00 1134035.00 1034156.00 870964.50 899199.70 1000601.00 1112485.00 941371.60 1116921.00 1109682.00 1435562.00 1228797.00 1030790.00 1099543.00 1205585.00 1231277.00 1263741.00 1215851.00 961763.30 1175932.00 823032.50 1325757.00 905800.30 904692.60 1197827.00 1280665.00 1072443.00 1266273.00 971160.80 968566.80 1187084.00 1089080.00 1236245.00 1209924.00 1354019.00 936498.30 1339773.00 1315170.00 1421967.00 1015671.00 913494.10 1036596.00 998347.20 1129293.00 1063502.00 1374015.00 1168319.00 997130.80 1239019.00 1354148.00 1007319.00 1141634.00 1130226.00 961312.20 1018006.00 1318457.00 1103415.00 1192315.00 1169866.00 1276896.00 1071225.00 1270482.00 1080300.00 1494032.00 1039060.00 1514457.00 857896.20 1135071.00 1022965.00 1545526.00 1080412.00 1359151.00 1022694.00 1388824.00 988648.40 902785.70 1067751.00 1506132.00 1069578.00 1633808.00 1783913.00 1155622.00 953551.20 877050.40 1225028.00 1073002.00 1334435.00 1124136.00 1429716.00 1219228.00 1376358.00 1038398.00 896024.40 951174.00 1169558.00 1235172.00 1350812.00 1555243.00 1766020.00 1609070.00 1448525.00 1952078.00 1288612.00 1111863.00 1333306.00 1340391.00 904676.10 1264597.00 1338357.00 1248489.00 1171285.00 846812.90 904743.90 821191.80 Malate 2701095.00 3184080.00 1736053.00 2193703.00 1368286.00 1710149.00 2195916.00 2182524.00 1798954.00 1355989.00 2211280.00 4041246.00 2154512.00 2745400.00 1845710.00 1900715.00 2811399.00 1840588.00 2300911.00 2198061.00 2349393.00 3363459.00 1977222.00 2047190.00 3042821.00 3247612.00 2657059.00 2561265.00 2851553.00 3196015.00 3372141.00 3206206.00 2531889.00 2179811.00 2362256.00 2330643.00 3252624.00 1928333.00 1344464.00 2751447.00 3278408.00 2019116.00 3389438.00 3077089.00 2141973.00 2386431.00 1577570.00 2004452.00 2149208.00 2867155.00 1865094.00 2681155.00 4902183.00 2556078.00 2340634.00 2180159.00 1969054.00 1586087.00 1450512.00 1767569.00 1941112.00 2306243.00 2017591.00 1993644.00 2568639.00 2659950.00 1989692.00 1873033.00 2375559.00 1788012.00 1983902.00 2667107.00 2830249.00 2642189.00 2728401.00 2054272.00 2778276.00 2647868.00 4192725.00 3651853.00 5782064.00 2816998.00 2027559.00 2101411.00 4188359.00 2332265.00 3622840.00 4336612.00 2881480.00 3182072.00 3210011.00 3009501.00 2369880.00 2349773.00 3873175.00 3891910.00 2263484.00 2564531.00 2911945.00 2622074.00 1912242.00 2812353.00 2835173.00 3345825.00 1758583.00 2536554.00 2091294.00 1938962.00 1778471.00 4942982.00 1649147.00 2423620.00 1956218.00 3748341.00 2961273.00 3591794.00 3455241.00 1986638.00 1987294.00 2628311.00 2442443.00 1730321.00 2814754.00 4741714.00 2870922.00 2276172.00 2608429.00 2541600.00 2781202.00 2-Hydroxyglutarate 2235888.00 3259818.00 2887836.00 2582653.00 1905731.00 1163758.00 2801899.00 2681111.00 2930065.00 2836861.00 3367820.00 3197377.00 1954227.00 2093618.00 1557881.00 3348608.00 1584522.00 1098627.00 575379.10 1106190.00 1413908.00 2070097.00 1515123.00 1270568.00 1351632.00 2235810.00 1332702.00 750863.20 1235812.00 1307997.00 1562211.00 1417677.00 1703495.00 2028646.00 2465623.00 1653299.00 2118716.00 2177707.00 1723177.00 1552404.00 1517541.00 2287128.00 2353441.00 1173269.00 2053209.00 740530.80 1141434.00 2941427.00 2426801.00 4030390.00 2283243.00 2426702.00 2790566.00 2074516.00 2366525.00 3355326.00 3112866.00 2070128.00 4252596.00 3165081.00 3155631.00 1776282.00 3659709.00 3686852.00 2239358.00 2855031.00 1990467.00 3623711.00 4856022.00 2640202.00 3253601.00 5263800.00 3632486.00 5983942.00 1404598.00 1876483.00 1339060.00 3331102.00 1921646.00 2356118.00 2948958.00 2056288.00 3045636.00 2733889.00 2553382.00 2366165.00 2103083.00 4240900.00 3497511.00 904517.90 4160081.00 3227481.00 3705859.00 3126785.00 1001850.00 2376211.00 1840639.00 2105472.00 1903871.00 1773375.00 2602169.00 2337567.00 1472777.00 2486823.00 3297839.00 2538660.00 1839270.00 2170298.00 2198365.00 1558496.00 2611163.00 3275623.00 3837323.00 5334048.00 1635944.00 4542320.00 2902622.00 4258470.00 3180907.00 3748956.00 2553907.00 2297197.00 2858048.00 944924.00 3260923.00 2136822.00 3224080.00 2811842.00 2823936.00 Dehydroascorbate 1735057.00 1866219.00 1248154.00 1552698.00 983417.00 2582878.00 1646519.00 2130981.00 2050212.00 1390518.00 1400953.00 2965335.00 2070791.00 2233401.00 1437212.00 1928046.00 2584737.00 1862320.00 1658991.00 2109969.00 2059196.00 2208986.00 1998360.00 1914207.00 1506875.00 2768660.00 2072837.00 1963262.00 1688061.00 2306227.00 2586840.00 1639097.00 1605616.00 1911937.00 2718127.00 1556880.00 1510808.00 1780440.00 1834200.00 1648822.00 2639018.00 1334822.00 2700298.00 2440831.00 1706554.00 2390380.00 1566005.00 2821375.00 2032930.00 2359898.00 1634250.00 2583363.00 3261801.00 2370449.00 2077498.00 1824840.00 2048382.00 1974580.00 1269055.00 1972639.00 1964285.00 2260138.00 2254594.00 1895439.00 1788639.00 1761288.00 1549062.00 2165294.00 1398296.00 2075012.00 1758412.00 1976061.00 3356568.00 1393714.00 2209102.00 2044091.00 3168164.00 1825716.00 3227209.00 1560059.00 2197435.00 2522576.00 1396778.00 2325740.00 3029636.00 2273426.00 2676314.00 3427263.00 2306817.00 2613622.00 1944612.00 2941437.00 1798686.00 1923889.00 1716116.00 2832715.00 2124374.00 2586688.00 2688242.00 2519195.00 1633894.00 2985428.00 2148064.00 2712671.00 1930131.00 2829156.00 1487703.00 2420306.00 1579032.00 2686044.00 1496944.00 1693205.00 1624426.00 2584645.00 2718062.00 4428262.00 4633812.00 1828731.00 1521264.00 1492746.00 1989908.00 1896406.00 2033602.00 3177573.00 2543593.00 2026584.00 3310963.00 1969099.00 2315319.00 gamma-L-Glutamyl-D-alanine 103919.80 112253.30 84715.75 324706.80 164336.10 216774.10 264623.60 234651.70 200412.50 143085.80 65759.76 195761.00 192651.30 146562.40 149205.00 103469.00 181800.10 194531.00 162887.90 219011.10 189471.70 218890.00 247085.70 162353.70 102897.90 157207.70 259967.40 161497.60 297987.70 301884.20 299500.60 317295.00 241608.70 219964.10 400369.10 202161.30 297309.80 237825.30 216725.50 272107.80 287284.30 249251.30 366152.50 247734.60 276906.00 307117.80 296509.10 264504.50 213085.20 207085.50 135982.40 208125.40 498435.00 329923.20 208146.70 243473.10 176427.70 161457.30 209827.60 181642.50 507476.30 227721.40 237865.00 265652.30 224114.50 189648.50 217825.50 218388.70 297994.70 287529.00 336919.30 342587.00 417576.60 295271.90 512557.70 246613.20 411435.60 144663.20 176518.50 187997.80 136801.10 183772.00 198457.10 93199.09 126222.20 137239.20 244962.80 148641.90 71491.07 237465.60 159535.00 185184.00 168240.60 215407.00 270265.80 195201.60 307672.10 270568.90 187746.70 280628.00 185746.90 244948.40 222493.60 200258.10 279847.50 217425.10 128255.60 144289.40 76300.52 173381.00 289894.40 350486.70 302901.90 345980.70 236220.70 266642.10 220725.90 194848.30 252963.90 150533.40 298777.50 221862.90 377654.80 169827.90 233421.50 129046.20 360027.30 109665.90 138973.20 (5-L-Glutamyl)-L-glutamine 542973.50 357706.50 333759.00 434125.60 168779.90 364695.30 302750.80 477000.80 259471.70 303667.50 462419.70 486695.50 228377.00 370768.60 291856.20 268422.80 336274.10 427175.00 245025.90 398323.20 427657.30 801432.30 386204.20 348918.30 336439.90 390384.30 206918.60 125166.80 401251.00 594941.20 494981.30 503548.50 404525.10 316962.80 419416.20 370355.70 333446.00 380848.10 212835.80 455092.70 575706.70 372130.20 500607.80 393157.50 357207.80 494817.90 523424.80 387639.60 278278.50 412338.90 367416.50 425607.80 546626.20 429545.00 328384.50 310878.80 396892.40 197164.50 296897.20 246794.80 606242.20 499016.30 443401.70 332804.60 413477.50 274157.40 227751.50 269396.50 304841.10 556970.90 298387.40 235901.00 467366.60 316720.20 467554.70 325158.70 643303.20 443834.70 512220.50 272422.30 612987.20 289103.80 564724.90 262391.90 803770.70 483963.50 736207.40 244861.00 440749.40 425857.20 301963.00 327733.70 437309.80 381277.50 274951.30 581409.60 162927.40 50321.76 474540.50 321735.30 196894.00 465329.10 631686.40 381435.20 279243.50 395713.70 246136.50 205038.20 202702.20 146289.70 497504.50 374104.00 407669.90 300205.90 471897.90 497998.30 542119.70 200519.50 259454.90 367968.30 371056.20 352402.50 420069.30 435089.40 936798.80 509458.40 545294.30 622812.30 496124.20 N-Acetylneuraminate 74752.97 122083.80 98190.84 42760.67 50944.00 135755.60 107269.70 101469.20 73606.04 73882.42 94032.06 125829.30 130428.90 107231.30 129652.40 140043.80 106208.60 89275.77 104278.10 96279.79 160935.80 134082.80 99018.16 154447.00 176791.10 183564.20 101270.50 93206.94 111475.70 94305.91 177398.80 122326.20 92526.21 129288.50 104195.00 61623.97 150430.20 109038.00 151689.80 91303.59 185835.50 163817.60 119262.20 122027.50 83384.77 61239.59 92486.43 167673.00 75899.72 153082.00 144059.30 164730.20 153478.80 201227.00 178458.00 115230.80 132918.50 177611.10 50929.75 97046.25 161721.00 121429.10 145388.20 109881.70 189528.10 85229.98 111795.30 118921.00 161847.20 161010.50 112456.20 141593.90 246122.40 110276.00 228431.10 95856.94 168676.50 110608.00 141624.80 166167.80 100556.80 208473.10 161606.10 108691.20 150628.90 154944.30 181098.70 125608.90 161344.70 161955.10 131937.20 155763.20 129885.10 164458.60 280251.60 270901.70 212931.00 151634.30 144386.70 180828.70 136577.60 225638.40 145429.70 95339.59 132727.10 144442.30 179553.40 178488.50 117452.00 712293.10 189641.20 97361.23 144786.00 264678.80 165439.20 499696.90 169824.00 122896.80 157702.10 147618.30 102582.00 89742.24 140339.30 106442.90 229790.40 158022.00 149936.90 148310.60 79079.30 4-Acetamidobutanoate 70607.87 146694.20 192379.50 89505.72 424133.40 168396.30 208511.50 302531.70 289324.60 395045.20 256464.90 176363.10 676808.20 150225.10 173927.70 226943.80 113612.80 292553.20 331295.00 128344.70 182154.90 137372.70 126766.00 193059.60 151466.30 124698.70 293376.20 190177.20 203340.90 173746.20 74727.09 181871.00 282159.30 289642.70 250503.10 115884.60 232141.80 219296.20 160643.70 172364.90 167358.10 226104.70 248305.30 228373.40 147664.90 148086.70 176967.60 354716.40 450833.30 137265.10 138315.20 234767.20 131737.90 188401.90 303523.50 123047.00 154764.40 171872.30 141711.80 1209890.00 168679.40 134390.50 254216.70 198464.90 213703.40 144225.30 147166.50 176741.40 220408.40 126669.00 258414.80 301292.70 258370.70 232231.70 215876.00 118299.50 209681.70 124721.70 216241.40 534822.20 179395.20 253853.40 118998.30 187785.90 91934.18 209512.10 259205.70 210469.40 234325.60 128504.40 192993.80 152316.60 215706.60 135949.90 177214.70 290251.30 173748.20 196017.80 172174.20 587044.40 217393.50 289364.70 298255.20 828310.00 174776.20 281127.20 261433.80 86726.95 201590.10 1044985.00 194693.90 470124.40 215168.40 173780.90 218297.80 245377.70 191138.60 230095.00 206125.80 159611.50 105925.80 132152.20 200507.70 404985.80 278616.20 199136.00 239176.00 269243.30 117562.20 trans-4-Hydroxy-L-proline 801018.20 793468.30 1001164.00 761861.80 692012.90 700195.90 882042.90 948326.80 746225.80 887807.50 772171.30 1083434.00 1175766.00 934770.50 1026793.00 882873.20 976713.50 841444.90 1419149.00 813032.10 1637299.00 731568.60 895832.80 1143286.00 1018232.00 794729.80 808272.80 694367.80 1036269.00 852279.30 1454704.00 1385917.00 1073676.00 780571.70 1173389.00 811845.00 972451.60 1739200.00 920578.20 1268364.00 923300.20 1518530.00 1516295.00 1187972.00 746930.80 1157841.00 987873.20 1060824.00 743055.20 1140910.00 1027029.00 862464.00 1116290.00 979451.00 1272931.00 772621.40 936667.70 989130.70 1034454.00 1001482.00 840117.20 1446146.00 1504317.00 1067711.00 953826.60 793526.60 1233238.00 897633.50 1294645.00 1273478.00 1030092.00 962128.20 1415189.00 1502288.00 820980.50 983351.60 1418351.00 1197812.00 1937830.00 1519119.00 1160628.00 1257371.00 1012324.00 987164.70 903883.30 755217.50 1244675.00 2657986.00 934021.30 1110912.00 1012190.00 1100719.00 872897.20 1144622.00 1152202.00 1301048.00 1316106.00 795151.40 1502121.00 989053.90 1686406.00 1035603.00 1293211.00 1019406.00 1103435.00 1094941.00 1124591.00 1243750.00 1122277.00 2325656.00 920549.80 2575015.00 1598152.00 1197697.00 1146699.00 1469118.00 1118612.00 1366637.00 1111466.00 1197408.00 878493.10 1406648.00 1361320.00 1525675.00 1158122.00 1524811.00 1941500.00 741694.20 677616.10 3-Sulfocatechol 5384432.00 1563032.00 11711020.00 2987396.00 23615040.00 1004382.00 7974648.00 7301916.00 6592034.00 1238979.00 1182570.00 3791040.00 2139389.00 648731.40 9257727.00 1987327.00 589130.40 868337.20 5421054.00 8661090.00 4399790.00 12774280.00 1156364.00 3931461.00 3243314.00 1571514.00 4119949.00 1046162.00 12144310.00 7268738.00 414787.40 2366367.00 3630113.00 1819066.00 4897112.00 3836591.00 13849610.00 1478953.00 1301683.00 3806102.00 2950715.00 1174400.00 11365250.00 3358283.00 1337346.00 1554034.00 3429940.00 6530542.00 3114839.00 564909.80 1263326.00 3966361.00 1538114.00 1793115.00 2346332.00 806520.40 309942.60 394372.00 14747560.00 1810109.00 757293.80 9470344.00 2326556.00 3267749.00 2564422.00 1596795.00 618607.80 1159853.00 1703108.00 1928498.00 1943473.00 2256288.00 3446830.00 4092443.00 815720.80 734814.50 887585.00 4743452.00 7405902.00 3659051.00 2414012.00 8445648.00 2055575.00 2007918.00 436498.50 5745136.00 1310560.00 1447104.00 4177815.00 1243399.00 6389706.00 8873296.00 719007.80 1702586.00 3092444.00 4893176.00 3102490.00 1365857.00 3016782.00 1443574.00 6510456.00 4067679.00 1665158.00 3397536.00 4167640.00 2365382.00 1445701.00 1236056.00 4261530.00 4650792.00 835679.80 2504592.00 1812554.00 1188956.00 2222512.00 38592.45 862875.00 612220.00 1597274.00 3943636.00 6951082.00 2374634.00 919010.70 374562.60 1945896.00 7436414.00 2580750.00 5145968.00 4476550.00 Indole-3-acetaldehyde 3720460.00 8354318.00 2683398.00 2436532.00 3041874.00 4907648.00 3165993.00 4730446.00 2329962.00 3036910.00 5117882.00 4558120.00 6642144.00 6126024.00 5143034.00 3711349.00 5809982.00 5608394.00 4875406.00 3391028.00 4791692.00 3729009.00 6571694.00 4037046.00 5446760.00 6210826.00 5681830.00 6500852.00 8743165.00 6310178.00 6425958.00 4648446.00 2946260.00 4955230.00 4622486.00 4471478.00 5508958.00 4780040.00 4918104.00 3397230.00 3727017.00 5212415.00 4388726.00 3064645.00 1454932.00 5233188.00 3283702.00 4963996.00 5833768.00 4414844.00 2845153.00 5273360.00 5304906.00 5693890.00 3047384.00 2176208.00 3026019.00 5044950.00 3511422.00 2540488.00 4090503.00 3490381.00 3969816.00 3963175.00 3046132.00 3060529.00 3532607.00 3191352.00 4693326.00 3262803.00 3304387.00 4301696.00 3302544.00 3883009.00 3605810.00 2845487.00 2988480.00 2711241.00 5493816.00 5204028.00 3758754.00 4976688.00 5448256.00 5629392.00 4460510.00 2952853.00 5579132.00 2503006.00 4430106.00 4676932.00 4960170.00 3945826.00 1501745.00 5251642.00 4662538.00 4175774.00 5152532.00 4696580.00 4778796.00 4353474.00 4025780.00 4846306.00 5483084.00 2849809.00 3362377.00 4498308.00 5763750.00 5084605.00 3198364.00 2757674.00 6143660.00 8438655.00 4852108.00 6953674.00 3948283.00 5094793.00 4896820.00 4942768.00 4487325.00 4348404.00 5207970.00 3846763.00 5276898.00 5569318.00 3279605.00 3603065.00 5096353.00 4624554.00 3157279.00 Indolepyruvate 77492.70 282407.60 292040.40 200178.40 280977.00 416484.00 201954.60 165897.40 62961.04 116882.00 165672.30 176518.70 240237.10 163281.70 304071.20 53037.08 115421.70 208099.90 232805.00 181800.80 352292.20 168210.10 114575.90 201974.90 128997.00 148311.10 137568.00 140421.50 337630.60 201817.00 203789.30 334384.80 266099.00 253630.80 176221.80 226892.70 294151.50 219635.80 159138.50 90148.34 125894.30 177173.50 373244.80 166265.10 166693.70 408063.60 96118.34 164999.70 217825.90 107147.40 118520.30 136393.60 348542.80 358537.80 297489.30 279681.60 176284.20 306493.00 267579.80 215042.60 252900.30 140400.50 219409.20 114276.30 197451.80 142441.90 234045.00 361538.10 349121.60 270243.30 367180.00 261293.30 87528.73 345690.60 78793.24 44303.13 138586.70 300130.80 198236.50 178341.20 353850.10 98769.32 278888.30 354363.80 250351.90 127954.70 192540.90 250242.70 128109.40 263151.20 296806.40 258877.80 252481.50 233705.40 295460.90 168199.30 282626.70 261514.90 268150.30 170728.80 160809.60 107093.50 164054.40 38455.09 283013.50 339630.40 283889.80 356545.30 314854.20 20895.57 424081.00 493154.00 319326.20 184332.10 117548.70 76811.55 238682.50 132835.10 276937.40 189203.50 262814.80 163078.70 209318.90 209632.40 233589.40 174140.20 238857.30 231371.50 168936.90 L-Tryptophanamide 491371.60 417529.20 278741.00 610654.20 478443.70 503143.80 574426.80 743687.20 508027.50 499468.70 870494.80 535892.30 514679.00 604766.60 526208.90 572132.80 798162.20 864874.10 683121.20 566281.90 1051919.00 725889.60 630631.10 748725.20 760455.10 1223381.00 953870.30 818789.80 566601.30 663727.60 597591.20 548012.80 393369.20 823607.70 1375496.00 395284.30 1123411.00 391737.70 639417.80 711159.70 469188.00 567848.50 1232366.00 553641.90 710828.30 896127.80 787491.90 493075.40 679969.60 932885.20 858663.40 539308.60 1201126.00 1004928.00 569472.10 835593.60 667940.20 673819.80 999543.70 662119.10 1442193.00 463767.20 700057.00 903433.10 410141.80 583821.70 499361.00 401188.20 763496.80 701173.00 732269.40 928672.80 944304.20 526001.30 1464522.00 756147.30 586772.10 915086.30 841056.80 831242.00 519982.00 1210137.00 877263.20 599230.10 738596.00 980833.00 1084441.00 684661.40 924205.80 1043406.00 723844.60 1227227.00 659291.60 1226498.00 1547951.00 939764.80 1125457.00 1376267.00 660101.70 1705256.00 733652.90 1284865.00 1076611.00 828476.40 1341057.00 762625.30 895541.60 628128.80 821648.70 435070.40 1019391.00 978606.20 692307.10 2149458.00 716199.10 782108.30 1187410.00 1382945.00 767424.10 1012905.00 1147970.00 615414.80 945210.50 896607.30 839360.70 454910.90 957306.50 450750.40 547705.30 Ethanolamine phosphate 439717.70 495416.40 256146.10 242534.70 157625.20 195883.60 273427.80 248369.70 227544.70 200917.50 244909.10 380216.60 423865.80 507638.50 460268.90 324307.90 263756.60 276372.50 282049.50 185587.90 263325.20 294932.80 241683.30 278966.60 110731.60 220547.80 211763.20 133460.90 360116.20 200829.20 379666.80 364086.20 259913.10 165131.90 222177.50 106273.90 149600.50 287080.20 172426.20 182700.70 328292.80 177111.60 264932.80 193889.20 140725.10 244474.80 282681.00 265326.30 200552.20 191162.80 283990.20 266911.60 181638.90 160904.30 188134.60 222553.00 239411.20 105931.60 192073.90 160238.80 312976.10 217177.80 200795.20 237209.60 178857.60 203452.10 142348.20 248694.60 166132.80 189396.90 141297.40 110121.00 122942.30 180541.60 71934.74 174523.20 258619.00 177964.60 237306.60 166226.50 310521.70 268508.70 174462.20 187106.50 251558.60 245481.30 226423.80 155768.80 287253.20 82039.45 168862.70 207407.60 170108.00 181368.60 659715.20 434839.00 278495.00 81987.60 459889.40 241062.70 200630.80 238378.00 220622.90 235713.00 114111.50 249774.20 267966.70 203783.90 209482.40 91923.54 166001.20 319624.00 272900.80 267957.40 183552.10 384539.20 125794.50 223129.50 192300.40 277146.00 190442.00 196144.20 181917.00 172385.60 197249.30 167429.90 262191.80 472754.50 271748.30 Pentanoate 197816.60 186254.00 256104.90 177847.90 198868.10 215167.40 247163.00 162224.20 164234.90 227391.90 236988.60 229896.30 156237.10 247079.70 271633.50 132342.90 179765.40 242811.40 167447.80 143607.70 257448.80 267595.80 286092.40 212726.60 244078.50 136241.20 542259.10 330855.80 289315.50 231283.90 252416.90 255572.10 254839.30 161963.10 339378.40 240374.50 207990.10 236150.30 187019.70 174644.60 178185.60 213057.50 222494.90 280003.00 147659.90 285173.60 176896.80 221714.80 202017.20 196401.90 166438.50 159901.20 253134.50 250411.40 152825.10 218793.40 162932.70 220380.10 237750.30 218519.80 364468.70 115093.90 241931.40 252396.90 236076.70 191403.00 208533.00 214591.80 128989.60 143044.00 159927.00 325809.10 128766.40 215092.90 265710.80 223331.20 170932.20 275101.00 204481.80 260474.10 238224.90 250373.20 257293.60 234280.80 213342.80 168934.50 373756.40 322570.80 191963.80 198342.40 227795.20 198851.70 150264.90 416542.10 195604.00 134345.10 301808.40 195387.90 249611.40 110393.10 219889.70 413888.30 194981.70 188119.50 228827.00 196502.10 242485.90 215530.00 164961.70 241485.80 267136.70 258376.10 251586.60 380834.50 242060.90 154550.30 317749.50 197828.10 126046.70 270408.30 196770.90 130764.10 142542.20 153931.80 190622.10 137236.30 232487.30 288183.10 156558.80 Hexanoic acid 634908.90 625595.20 509182.80 424780.50 537063.20 662088.20 721539.80 469205.00 394241.50 589107.60 639050.50 523092.90 520373.20 487648.60 612558.70 1087580.00 510976.60 632182.70 627049.40 615576.60 937713.30 562153.40 424183.10 418427.20 737714.80 754816.60 673946.50 669180.10 1024362.00 551851.60 617422.40 628790.60 410017.10 630813.90 707464.90 604920.70 660788.00 814067.00 862595.90 521229.40 782309.80 536821.10 451952.00 570247.70 313737.50 922832.30 746835.80 859749.00 772677.40 565966.80 600420.90 765494.70 765776.80 859358.80 640422.20 641640.50 623029.40 543799.80 600678.80 665859.00 621053.70 478366.90 501507.60 768825.00 679415.40 555850.70 490129.00 600245.50 563556.20 553933.40 472274.60 785270.80 553787.50 596877.30 606567.30 616121.10 653588.90 519759.10 749743.60 684619.60 506917.80 766725.10 745313.00 670192.80 564087.20 621917.80 583079.60 589928.60 680386.10 565608.80 544376.80 595988.70 654383.50 808020.20 555206.90 500803.80 715877.50 683353.90 565876.00 743574.70 722243.20 983141.00 713172.50 751140.40 745068.00 657228.10 730659.50 563842.60 701040.00 724363.50 768073.30 554941.80 716892.20 571946.80 782994.90 673849.60 822857.80 558232.90 659349.70 558440.40 719491.40 543009.60 750163.30 899200.60 530522.20 897786.20 678750.80 651914.70 645914.20 Heptanoic acid 509281.60 410498.60 434289.60 553377.80 390365.00 555576.90 553575.50 615565.30 336620.30 418312.80 432598.30 333155.60 563348.90 429112.50 625583.80 1007810.00 457885.10 606766.90 516071.60 473844.40 1228002.00 576894.00 425935.20 407459.80 639140.20 678263.80 624974.20 544361.70 1040152.00 476169.40 647137.20 782073.00 428037.10 486441.80 714874.70 411520.20 490482.40 726634.80 979026.70 589693.90 573561.60 541624.30 419156.20 421177.10 345942.30 1006735.00 553901.50 659224.10 764615.00 686445.30 749135.00 505339.20 661450.20 976081.60 370588.40 647821.20 646338.00 424297.80 395671.60 382014.00 617812.40 492214.40 524997.30 536524.90 489676.00 381117.00 520405.60 406426.80 578007.70 498034.90 579840.30 610012.80 559943.00 516425.60 480573.70 667451.20 460433.10 638331.20 640162.70 507845.30 859946.80 627412.40 753374.10 662355.80 461559.70 664782.90 582045.50 346801.90 513903.30 388858.50 503260.80 548501.60 758740.40 642337.60 491401.10 670635.60 512351.70 588732.60 473630.00 587722.20 520636.20 1173158.00 508065.60 986794.10 707062.80 627688.90 513064.30 621349.10 818202.60 549759.60 636619.60 496285.20 589196.50 722967.90 604567.20 614430.50 702821.30 537482.30 562485.80 381016.20 515256.60 539823.60 540759.20 656048.40 445250.50 773558.00 679169.80 966254.50 601684.40 Octanoic acid 32053480.00 27433580.00 30456850.00 43250860.00 29812370.00 29910860.00 28155670.00 38728040.00 34763760.00 26553000.00 43073840.00 43276690.00 46919700.00 62089790.00 122923500.00 126709500.00 106456200.00 116679700.00 105283800.00 114293800.00 103017300.00 87027220.00 102007600.00 97096100.00 96157780.00 146167500.00 89664860.00 98453020.00 102738800.00 109224000.00 119166900.00 120257500.00 104083900.00 94102210.00 136163600.00 83904810.00 116279500.00 96333160.00 98528600.00 83079740.00 88470200.00 89924310.00 118342500.00 69301600.00 95581340.00 103190400.00 69657250.00 104844300.00 103845000.00 120914700.00 154513200.00 112713800.00 129810900.00 140463300.00 27919320.00 41193720.00 32585540.00 28095590.00 34891710.00 36230460.00 33201120.00 39822260.00 36809280.00 37738910.00 37870600.00 32530610.00 40311710.00 40502040.00 42821300.00 37264330.00 36445720.00 52835120.00 48842800.00 43765340.00 48921310.00 48430090.00 42988980.00 51672380.00 42717750.00 40683900.00 42432340.00 53908860.00 53862910.00 51463440.00 54747300.00 49533680.00 42809550.00 252861900.00 50444420.00 40182940.00 69451180.00 59315550.00 55155770.00 64878880.00 54666060.00 44054360.00 49014060.00 58261740.00 102920400.00 110030700.00 100924400.00 135868700.00 76414180.00 129662500.00 158042300.00 135075900.00 92522760.00 98493250.00 102232100.00 111929800.00 97254460.00 81333820.00 104452400.00 179726600.00 90183130.00 125244300.00 101881700.00 118139500.00 106228500.00 94205470.00 124162200.00 123054600.00 134102000.00 135945900.00 143358000.00 141533200.00 106808400.00 133997100.00 128279800.00 Nonanoic acid 6364882.00 7484346.00 8542560.00 11307290.00 6389778.00 7845760.00 9862853.00 10578620.00 7725056.00 7480844.00 8637576.00 9318563.00 11605230.00 7991734.00 9839857.00 9369645.00 11872210.00 10676850.00 8524529.00 10918500.00 12760590.00 10208780.00 10803530.00 8910695.00 6051944.00 10856950.00 7600010.00 10630250.00 14982070.00 10761780.00 9574865.00 11488010.00 10286560.00 9001034.00 12245420.00 8519455.00 8890045.00 13864170.00 21213400.00 8613724.00 6714626.00 8418165.00 10649780.00 7798026.00 6908700.00 15276720.00 10337590.00 11366020.00 10628610.00 11143870.00 10393200.00 9409861.00 8934834.00 9755253.00 7401238.00 9030269.00 8322438.00 8300360.00 6988398.00 8780241.00 10542650.00 10851670.00 9187980.00 7513106.00 8554675.00 8073182.00 12051500.00 8605578.00 9266961.00 7033310.00 9655193.00 6802732.00 9056467.00 8515871.00 8584800.00 9898908.00 7302710.00 9839262.00 10653400.00 9251281.00 10538760.00 9326093.00 13925610.00 7091782.00 11678220.00 8649968.00 8953433.00 7012538.00 8872851.00 9210252.00 7460238.00 8483617.00 8493011.00 8762573.00 8283308.00 12668960.00 10238080.00 8994065.00 9299952.00 11667830.00 10865560.00 17077890.00 9270363.00 18238690.00 16446060.00 10292090.00 8758916.00 7954662.00 11325600.00 11439980.00 6841614.00 9046453.00 7502750.00 14830030.00 11026490.00 11450980.00 12473000.00 10867080.00 7635086.00 6355206.00 8384412.00 8753741.00 7581282.00 8803609.00 8899263.00 11443820.00 10795470.00 9872172.00 7723060.00 Decanoic acid 11561600.00 22220490.00 17983710.00 16818030.00 15739830.00 29313610.00 26779900.00 24544550.00 19396120.00 17086470.00 31778320.00 25665660.00 20276760.00 17729620.00 29343930.00 19587930.00 22992090.00 43357440.00 17269570.00 22359650.00 20251120.00 23799140.00 21923950.00 20613330.00 12970940.00 18609990.00 16464700.00 20273470.00 26046290.00 25716520.00 29134220.00 18259270.00 13037070.00 18529360.00 26038590.00 15142930.00 18924280.00 15976100.00 30538690.00 14469400.00 14565650.00 11160730.00 16998430.00 11750960.00 14946960.00 17561590.00 26054370.00 23429400.00 22735020.00 16518490.00 23627690.00 22176230.00 13414680.00 20367820.00 13484740.00 23895490.00 32745970.00 16022540.00 19061490.00 18845630.00 23878350.00 22927930.00 20334860.00 21273550.00 32872400.00 18406860.00 22979110.00 21340530.00 21173110.00 18657120.00 22929660.00 19993500.00 19259130.00 17457090.00 16801160.00 33432810.00 15314590.00 23773830.00 30142210.00 26436340.00 25714330.00 16158350.00 16284640.00 21833980.00 21672160.00 18751900.00 19503790.00 18123430.00 22966270.00 21041850.00 23467020.00 19973000.00 18398280.00 39899600.00 17573950.00 17115220.00 16707660.00 14287230.00 33363720.00 24933090.00 27938010.00 28992850.00 13106940.00 22103240.00 76420460.00 21502030.00 10619520.00 15388930.00 36298190.00 19748550.00 15646570.00 16588750.00 24194670.00 34009480.00 18039260.00 40646080.00 21568090.00 15987120.00 16030390.00 12088070.00 22359670.00 20099700.00 11883620.00 17494730.00 13145330.00 40725900.00 24635090.00 23801990.00 19166880.00 Dodecanoic acid 14259160.00 11955680.00 23544290.00 5684684.00 6232168.00 26134580.00 13806870.00 26212170.00 28563950.00 24099620.00 32170090.00 22054220.00 10098090.00 25006680.00 67484470.00 32868480.00 19346220.00 35952130.00 6007984.00 10839860.00 20165290.00 33287340.00 13792460.00 14321150.00 5590278.00 15601020.00 74180100.00 20371030.00 9822859.00 19846690.00 28281070.00 9610666.00 13333110.00 34179060.00 23725770.00 5991540.00 28745030.00 11680620.00 16630080.00 5850828.00 25511320.00 9467640.00 17209350.00 11009890.00 18010040.00 8320810.00 21352510.00 22403090.00 22234850.00 24290280.00 36547520.00 29729620.00 5252022.00 15980810.00 14955160.00 12032520.00 22199280.00 11729410.00 15017810.00 13124210.00 13391870.00 9806878.00 5696006.00 83810640.00 15109330.00 12660170.00 11686120.00 5339572.00 11354480.00 15206560.00 8740737.00 24436600.00 20406170.00 8624339.00 17664530.00 15732820.00 16186440.00 66989040.00 6577554.00 10813310.00 14947240.00 8789370.00 6072274.00 18163550.00 15018740.00 25684830.00 13791460.00 4301404.00 26778140.00 7311326.00 56267470.00 26271610.00 5272534.00 76737870.00 8341446.00 32514370.00 26664720.00 14097640.00 16617000.00 60096480.00 48097900.00 24960870.00 6470840.00 30639800.00 65007880.00 17088590.00 12185480.00 7495966.00 14372590.00 21333910.00 15746430.00 19155840.00 28093110.00 8268364.00 11487840.00 125159900.00 66468640.00 19629700.00 20117070.00 19223050.00 9872179.00 14061020.00 8103570.00 12032620.00 25861510.00 21667860.00 20005230.00 69679100.00 40797920.00 Tetradecanoic acid 24432870.00 36568400.00 51029240.00 10704140.00 19051300.00 45174180.00 14816800.00 31599760.00 62382910.00 41956400.00 65220460.00 40995290.00 24572220.00 60447760.00 74642110.00 116655200.00 37505240.00 70780090.00 15741360.00 29660060.00 40087130.00 40451630.00 36342800.00 27367250.00 16150700.00 37873400.00 35994380.00 57361910.00 17420390.00 55227650.00 102791200.00 15419310.00 29928970.00 109777300.00 27674930.00 19176300.00 78220890.00 24622070.00 41706000.00 13517520.00 39169080.00 20711540.00 23811030.00 19367240.00 49523250.00 16343220.00 49580180.00 39755620.00 44802830.00 72768470.00 72847590.00 63056440.00 15221280.00 29714970.00 25085850.00 18208760.00 48417420.00 30421250.00 46576820.00 16034780.00 39020660.00 21408270.00 11584320.00 164036000.00 48025000.00 47556540.00 35861080.00 10324110.00 32024150.00 47337790.00 15592080.00 29532940.00 48628260.00 13199620.00 30554060.00 64984040.00 17711340.00 50987440.00 13006650.00 20588240.00 22394660.00 19017910.00 15994950.00 51114220.00 56914960.00 33914800.00 31525580.00 7183704.00 61498770.00 14643550.00 20629560.00 25436080.00 13083840.00 152478300.00 13347490.00 70136220.00 52415430.00 26870310.00 28125850.00 112025500.00 115162000.00 56782460.00 19759090.00 53389680.00 92197980.00 30458620.00 32179340.00 17720900.00 25814330.00 72717180.00 42897970.00 15197070.00 57048720.00 13526910.00 43644660.00 95878750.00 120551000.00 68297820.00 51350160.00 27688790.00 24911970.00 42547710.00 31713960.00 18206170.00 46941060.00 37841600.00 33229480.00 54438870.00 38027330.00 Hexadecanoic acid 195555600.00 301487000.00 337413800.00 163760700.00 209898000.00 347842700.00 204842000.00 291887600.00 345143600.00 253472800.00 378999900.00 337347900.00 301964000.00 390977000.00 492594200.00 645510600.00 319179000.00 374540200.00 233089700.00 199350400.00 388510000.00 259237600.00 412451700.00 278949300.00 284984400.00 307868700.00 275897200.00 438057000.00 228888000.00 347063800.00 532682900.00 210160800.00 266028400.00 502789300.00 321772800.00 290973700.00 482403200.00 241303600.00 362665400.00 199171000.00 441812600.00 372999900.00 294299400.00 250062600.00 305441900.00 241118900.00 470140400.00 360616400.00 380831600.00 502572300.00 422818300.00 474125700.00 275318100.00 303817700.00 226927000.00 221961000.00 413765800.00 269743900.00 313543400.00 229658600.00 333557200.00 235947400.00 244512000.00 603679000.00 335717700.00 367886400.00 312743800.00 155823200.00 364862100.00 334063400.00 233261900.00 318844800.00 428176400.00 237350500.00 274541400.00 455608700.00 281208200.00 285927800.00 192419600.00 287999900.00 279130000.00 268088000.00 262561300.00 443315800.00 374898000.00 265294100.00 331433000.00 136447200.00 420337400.00 230992300.00 204778500.00 249376500.00 255674100.00 568186200.00 294817900.00 511796000.00 492994500.00 374411000.00 232564500.00 647356700.00 436608300.00 440131500.00 237363100.00 415053400.00 465798400.00 332963800.00 255879000.00 253449300.00 246886800.00 411427500.00 360529100.00 196921100.00 299908200.00 266819800.00 433643500.00 429519600.00 625433200.00 447699600.00 363222100.00 353665600.00 291115100.00 276329600.00 395869800.00 329892600.00 382146700.00 322147800.00 430437000.00 395650400.00 301224600.00 Octadecanoic acid 90115740.00 119272500.00 90156640.00 73205340.00 88023300.00 115175500.00 109686600.00 129777600.00 114461700.00 108750000.00 108116100.00 95126050.00 122845300.00 170128700.00 129478300.00 152692500.00 109682900.00 110380400.00 108967500.00 89528330.00 117187400.00 119952300.00 115581800.00 89151130.00 90460900.00 118005300.00 103713200.00 113552600.00 85755140.00 129453800.00 181632000.00 115226600.00 129645100.00 140616200.00 110554800.00 86150890.00 132341700.00 97168810.00 138110200.00 93904550.00 136009600.00 117646400.00 107343600.00 87003230.00 111957200.00 99638660.00 123426500.00 107629400.00 135023100.00 168759900.00 128545000.00 144686400.00 84227860.00 94623130.00 84786310.00 84638660.00 121874400.00 100495400.00 138571300.00 117959900.00 105588600.00 96948580.00 117566500.00 164660400.00 111841500.00 132015000.00 85921660.00 68724900.00 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16913850.00 3050283.00 13418680.00 38186540.00 3617464.00 25088880.00 30957660.00 7853148.00 19718300.00 90336980.00 6685196.00 20784660.00 4342992.00 11122060.00 10123270.00 9320285.00 9478267.00 20822780.00 37691360.00 30962860.00 8282372.00 1767851.00 36813250.00 21251530.00 4525838.00 10704680.00 25606030.00 79886430.00 9912772.00 76652330.00 51127040.00 29856250.00 14714320.00 42271200.00 63477030.00 79885300.00 7300562.00 59295360.00 32734630.00 17109660.00 17132030.00 14144000.00 20632180.00 40006600.00 8971727.00 7833508.00 20420960.00 19142330.00 34498560.00 41171280.00 85487620.00 67125190.00 18545480.00 26033330.00 32053230.00 56483900.00 13769490.00 15054560.00 56221520.00 9703975.00 32344750.00 47175640.00 31740230.00 Arachidonic acid 12935000.00 17444550.00 8655419.00 5976624.00 10349220.00 11525340.00 4123383.00 11534780.00 11966350.00 8514488.00 15911520.00 9110626.00 36025020.00 28322830.00 34728480.00 57698960.00 32996460.00 20301420.00 20890890.00 25304600.00 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34812990.00 16425000.00 14153870.00 12850460.00 20429950.00 36299390.00 16120100.00 6829524.00 11867980.00 7060554.00 32094000.00 19638490.00 32224980.00 26326350.00 15025060.00 21051420.00 9485047.00 16972190.00 16432750.00 10471950.00 12614310.00 10406040.00 21256470.00 17803010.00 11900780.00 Dodecanedioic acid 299614.10 199108.80 176654.40 159826.40 144590.10 212268.90 195283.80 478504.60 204519.20 198984.60 254463.70 299728.10 188278.10 275530.80 364910.20 266575.30 288092.20 295813.50 157733.30 186143.40 190606.80 653762.90 262378.40 996449.30 207589.70 752690.30 367487.50 227410.90 210626.90 249239.40 443900.20 449364.40 162466.30 161801.00 313491.20 171141.40 323357.80 193624.10 152351.40 172244.20 482348.10 176801.90 259020.90 212214.70 168427.30 149883.60 226834.60 345280.20 137761.80 173748.50 380235.80 270378.20 217224.50 139034.10 215938.50 331369.60 240814.70 202653.80 158774.90 191731.40 266548.50 248531.60 189552.30 364283.10 208741.40 232679.30 179444.20 255899.80 242468.30 196602.60 191732.20 292267.30 190591.80 163993.10 530287.90 264754.90 322943.20 562804.20 310129.70 214560.90 288395.10 372260.00 156514.10 242846.90 169265.80 740787.70 402534.80 183043.70 332524.50 266890.60 628544.30 586077.00 546832.60 424852.90 209081.90 583485.90 147791.20 169214.10 281264.80 389165.30 305424.80 289730.20 198850.40 552132.10 1028635.00 194430.00 183539.20 157794.30 256428.60 629699.70 280638.50 720294.20 224940.80 118754.80 259903.80 1194984.00 441916.30 175145.90 181346.30 164827.80 255143.60 236636.80 251861.00 215202.60 210917.70 532823.00 633537.50 466222.70 2279323.00 Adrenic acid 834459.80 1868377.00 1496458.00 868151.20 1266379.00 2028433.00 548801.50 1844173.00 2316856.00 1352409.00 2485840.00 1532741.00 2931945.00 3028486.00 3055706.00 7548268.00 2512985.00 2366050.00 1915982.00 1976073.00 3617771.00 1653972.00 3105046.00 2140680.00 2823477.00 3895969.00 2208267.00 4389942.00 1143277.00 6248630.00 10622470.00 1279304.00 1318458.00 5759088.00 1995618.00 2889219.00 5515078.00 671061.40 3578752.00 722580.00 6295700.00 3050077.00 1519292.00 2863912.00 3280731.00 1069686.00 3853767.00 2280508.00 2442739.00 5243878.00 3072170.00 5438306.00 2846345.00 2474534.00 641431.80 1378744.00 2850401.00 1155054.00 2111804.00 651996.90 3144168.00 1065195.00 871699.80 7684548.00 3125399.00 5113976.00 2535724.00 507101.70 1703682.00 4312045.00 1160684.00 1243950.00 1880783.00 1198178.00 1941153.00 6705626.00 1071998.00 1969208.00 1127555.00 994681.90 2175647.00 1890329.00 2473957.00 2843532.00 2052780.00 1589256.00 2092602.00 477751.50 2640399.00 1449975.00 664122.20 1294685.00 1341199.00 6273212.00 1775656.00 4764003.00 4775630.00 2526559.00 1236817.00 3678644.00 2397528.00 3793472.00 1208367.00 2564999.00 3779521.00 1212543.00 1222257.00 1046396.00 698637.70 6987246.00 1663704.00 786141.80 1283715.00 1292782.00 6084056.00 3066399.00 6184936.00 6486770.00 2343507.00 2852693.00 2033832.00 1636896.00 3222797.00 1735484.00 1898377.00 1117336.00 3486757.00 3331623.00 2305805.00 Dihomo-gamma-linolenic acid 1231700.00 2901517.00 3807105.00 1170963.00 2225825.00 3809197.00 1108409.00 3118585.00 3417993.00 2082202.00 4929262.00 2561954.00 4893828.00 4731628.00 6942772.00 13943860.00 5391274.00 4255970.00 3210396.00 4481676.00 6332526.00 3021269.00 6685618.00 3766875.00 4534116.00 6942526.00 5910922.00 7531504.00 4384565.00 9648395.00 19882070.00 2692417.00 3920573.00 8690655.00 4050219.00 3624275.00 6534046.00 1394157.00 6487560.00 1599211.00 4259404.00 4617630.00 3628526.00 2826128.00 4107881.00 1547930.00 4510147.00 5123900.00 4674958.00 7254302.00 5858526.00 6037530.00 4151733.00 4885572.00 1206609.00 2036548.00 5395592.00 1973860.00 3550317.00 1365675.00 4040142.00 2039231.00 1080689.00 9298743.00 4372932.00 5835460.00 2893187.00 839235.40 3698471.00 4607728.00 2314206.00 3731971.00 3431819.00 2327341.00 2753769.00 13061370.00 1377499.00 4131042.00 2620288.00 2760236.00 4448800.00 2920194.00 4326332.00 3313660.00 3458541.00 2943280.00 4692630.00 594020.60 3918895.00 2884941.00 1257890.00 2207460.00 1696427.00 9483991.00 5088846.00 8217684.00 10071630.00 7152342.00 2506036.00 6775830.00 6968546.00 8496769.00 2931439.00 6346494.00 6211906.00 5232974.00 3129735.00 3870339.00 3561514.00 9429042.00 3013685.00 1536433.00 3943148.00 2306103.00 5895648.00 6933100.00 11204720.00 8872993.00 4294970.00 3557000.00 4355820.00 2909858.00 4062022.00 3402870.00 3602638.00 2120379.00 3513241.00 4933862.00 4243734.00 Docosapentaenoic acid 806934.10 3610653.00 2279010.00 569253.10 1675555.00 2175953.00 677754.10 2182721.00 3368292.00 1413722.00 3025939.00 1994024.00 1304314.00 4811928.00 4094201.00 7554330.00 2255963.00 2197492.00 1828204.00 1854665.00 6168584.00 2712233.00 2376322.00 1778718.00 2031749.00 2957075.00 1693423.00 3753183.00 1113445.00 7349362.00 12071730.00 1799082.00 1651566.00 6170272.00 2363052.00 2055716.00 6243462.00 783932.20 1994762.00 846921.80 4561192.00 2112329.00 1478283.00 2458706.00 4598320.00 646329.60 3773999.00 3020137.00 2028652.00 5263604.00 3416930.00 3868808.00 2245915.00 3688204.00 565529.40 1371541.00 4921772.00 1056093.00 3179647.00 587243.50 1975913.00 1202700.00 633878.60 11999520.00 3211984.00 6737918.00 2291247.00 336224.20 2198570.00 4820192.00 1227489.00 2237042.00 2653046.00 1317920.00 3740002.00 7505150.00 1014354.00 2512375.00 896622.20 1737820.00 2399399.00 1610273.00 1547441.00 2871237.00 3780163.00 2112046.00 2110883.00 323776.70 2846380.00 2851666.00 1354133.00 1890392.00 1171228.00 6317854.00 1204824.00 6995880.00 5156742.00 1820014.00 1080270.00 9633917.00 6409204.00 3550631.00 1315054.00 7703084.00 3272698.00 2746171.00 1777147.00 1630010.00 2212416.00 5528138.00 2283818.00 635953.20 2454231.00 755901.20 5589266.00 3639731.00 7544250.00 4123544.00 1698184.00 3516189.00 1761463.00 2907752.00 2034253.00 1387225.00 2789097.00 1148640.00 3621554.00 3063909.00 2324303.00 Undecanoic acid 894135.20 780708.70 959795.00 842076.40 808100.80 1117979.00 1093148.00 968076.80 945550.50 915232.10 1045633.00 1229235.00 846288.90 1013284.00 1332376.00 1126418.00 959443.10 2114116.00 706323.60 847396.80 768310.40 857740.50 964392.30 711974.50 621429.80 1052477.00 782340.00 971733.90 970236.00 981092.20 1399843.00 971160.70 1187288.00 1021504.00 912877.30 739065.20 1132750.00 942454.00 1022985.00 684311.10 882640.40 750881.80 799492.70 755491.10 1014740.00 800937.10 1087281.00 795100.80 927341.20 1024929.00 1195491.00 1036596.00 645667.70 1002125.00 801423.30 1001775.00 1051857.00 918850.80 837489.20 746631.40 1084389.00 870377.50 751352.60 1153990.00 1217389.00 789127.70 1006675.00 753618.60 761204.80 736062.70 814904.00 917427.80 897084.50 790446.00 1082657.00 1053655.00 651756.00 1110166.00 1296559.00 865659.40 1015625.00 690561.80 675936.30 1014527.00 984179.80 972128.10 774320.30 684248.20 1011516.00 803933.40 794862.30 957814.80 838867.30 1451759.00 778411.30 872325.70 875409.20 865260.60 1066686.00 1017499.00 1391576.00 1005100.00 758951.50 1091756.00 1310442.00 917613.20 690234.20 586361.50 1266145.00 915612.80 743222.80 659653.90 1436769.00 657609.80 720818.00 1032057.00 1067313.00 744798.40 672196.80 693320.70 723154.00 959906.10 739234.80 703043.70 890351.50 1195014.00 826175.60 1057858.00 812764.00 Ursodeoxycholate 126021.80 425473.10 74984.56 122199.20 125467.30 112567.70 264508.20 207214.90 79948.12 110644.50 375640.00 413891.20 88729.59 331747.20 530526.30 273053.10 339031.20 66628.71 199303.70 186395.50 64717.50 175807.00 117902.50 346147.50 272059.30 928668.90 383703.50 670284.10 689111.20 160301.60 3409902.00 198154.80 159257.20 658692.60 222245.90 72627.27 375393.30 58917.93 198936.80 117913.40 943492.10 186019.20 586275.70 93944.43 92330.24 103275.30 172750.20 320308.50 66867.20 468059.00 361427.00 56101.73 456964.70 472589.70 88027.87 507455.10 564829.60 265357.80 162142.50 64690.24 341262.80 180866.40 282431.00 113170.60 302932.90 219348.50 186168.80 135339.70 462353.90 163652.30 299930.00 242843.80 210486.50 2704749.00 120355.10 1681276.00 161243.20 407552.90 196883.70 133454.80 506717.50 225234.90 271009.50 1141664.00 227740.90 214096.50 563989.50 308744.00 133287.20 546952.10 393515.10 566109.90 178693.50 352781.10 517607.50 753160.00 816264.60 247219.90 159633.90 778138.70 286722.70 230580.20 635392.10 1052966.00 717018.10 561142.10 436465.20 59163.52 94424.88 140956.50 289760.30 232139.20 417467.40 283007.10 269436.30 51645.55 189103.90 206271.90 193307.70 230903.00 242588.00 447755.40 240080.40 1160938.00 2460754.00 354385.40 286234.40 74048.47 1037774.00 Glycochenodeoxycholate 4536382.00 1433491.00 1553934.00 4329594.00 768539.20 6273506.00 1676673.00 7042838.00 2134195.00 1505389.00 3930584.00 6463852.00 1766516.00 5143692.00 4059229.00 1041268.00 3651814.00 3629359.00 2141100.00 865826.80 1584988.00 2471190.00 2615383.00 1005477.00 3585779.00 2571453.00 1566250.00 6416520.00 3078157.00 2664706.00 13864480.00 8341748.00 3483316.00 1475084.00 3969043.00 458925.00 2298544.00 3566203.00 444348.80 877635.30 1831503.00 2476186.00 3905241.00 1944154.00 4116760.00 3364899.00 1454238.00 3645125.00 3923810.00 2240604.00 2721017.00 1803715.00 6491624.00 3116395.00 1986330.00 1609544.00 385534.50 1465996.00 963751.70 981163.40 1209624.00 14278140.00 4788286.00 2319359.00 690545.40 632794.40 1356000.00 3936593.00 1659690.00 993360.20 2047974.00 11189920.00 3156033.00 1780162.00 1522990.00 2650888.00 8810835.00 1059390.00 6316150.00 2741548.00 4397644.00 2182076.00 3795969.00 1940260.00 2138653.00 707230.60 3044837.00 2951523.00 1465204.00 1778276.00 5445223.00 3409741.00 5434220.00 3704414.00 2392643.00 3387419.00 5871186.00 4142571.00 1052716.00 742924.00 1037130.00 5897132.00 2445734.00 2008058.00 5880858.00 7470540.00 3267789.00 2879637.00 1632449.00 2049554.00 4441140.00 2514665.00 985561.50 2929952.00 2191115.00 13573100.00 1722349.00 1930889.00 616794.40 332070.90 364691.90 2691778.00 2520249.00 10708060.00 7439518.00 4500014.00 3622301.00 2498578.00 2351589.00 Glycocholate 420212.10 163757.50 381281.70 593401.70 144132.90 697317.70 161219.70 1558512.00 834746.90 192496.30 637173.80 1133368.00 176475.70 422936.70 414209.20 120376.80 265802.60 833683.20 281344.30 170859.10 269687.20 401610.90 317611.80 250148.90 553372.80 181088.90 485427.40 925128.30 410061.30 529119.40 2474270.00 2021730.00 703074.60 304596.80 693728.40 258494.00 158033.50 776953.60 41436.21 120143.50 139070.60 411686.50 432693.80 252036.30 440353.70 819670.70 364598.50 515914.10 463305.90 364585.60 215827.90 313426.60 820853.20 1032216.00 418433.90 165540.70 35112.02 213875.20 113560.70 175804.10 197213.20 2089718.00 442217.30 288959.20 80179.18 90111.81 148148.70 944390.00 167598.60 174025.90 232501.80 18261500.00 873533.20 261543.90 159029.20 302784.70 1340874.00 204451.90 1103048.00 136953.10 1331424.00 695917.10 1123170.00 301747.30 328867.00 84969.87 557677.90 470777.60 148760.00 252131.60 786721.30 310105.20 1251514.00 1182871.00 384787.60 301020.10 1004125.00 916469.50 244468.40 47419.45 161015.60 560545.80 264026.40 232634.70 776989.70 1120457.00 910696.00 227080.50 206691.30 363618.20 818137.70 309883.10 131161.50 814308.80 201660.80 903052.20 371482.20 346940.40 291427.60 88407.03 47975.48 69518.20 201988.50 811525.90 485991.50 337988.60 428832.20 676678.20 271502.20 Taurodeoxycholate 486956.80 215276.60 297682.40 507022.70 109557.30 1255913.00 149858.70 1785212.00 338045.40 1100940.00 430904.60 920319.20 1103757.00 229539.10 1144863.00 207846.10 666250.80 2465900.00 813786.10 184754.20 199655.90 200430.40 350490.30 160551.40 311026.80 186180.00 207028.80 676751.20 716881.30 533909.20 1249859.00 986836.70 818051.90 399797.00 590637.20 146701.10 152752.80 376952.30 79569.82 54595.77 112138.10 399356.10 599135.30 358704.00 342201.50 489896.70 221477.50 332663.80 1828357.00 146747.60 207755.70 305613.20 535198.00 487626.00 159955.10 176856.10 56351.19 77822.54 105294.10 169719.50 138767.80 502876.20 403802.60 379461.30 52935.84 31751.91 242810.90 2833907.00 62444.58 55377.36 171422.60 969034.80 761593.70 177559.80 130020.60 462353.00 391741.80 269028.40 2144962.00 811134.50 339644.20 208817.50 553451.20 121978.00 130498.60 78360.38 506176.30 826956.60 235808.80 170954.50 701531.10 845436.10 719357.20 219368.50 144356.90 261187.30 582508.80 957139.40 103028.90 30489.35 197779.90 572126.20 138828.60 159469.20 713915.80 895714.80 940665.70 289145.40 188561.10 1207777.00 1001687.00 419372.90 71900.67 559978.60 74914.82 4006336.00 154523.80 212345.40 73556.07 7011.27 21133.12 143438.60 157958.90 676875.80 448226.80 237158.10 455467.10 444237.20 355150.30 Taurocholate 55187.52 25300.45 102432.40 76456.21 17793.34 132626.00 15304.26 385306.70 134862.30 166797.50 82574.52 136398.00 149907.10 29350.49 115300.30 14785.44 55579.11 496525.00 72528.46 27769.81 29330.97 24535.63 49567.49 73165.26 35315.27 15821.46 133196.40 107054.70 84250.41 74003.75 313483.00 201876.10 144238.50 108500.70 94155.07 44352.96 18094.10 85367.19 10465.21 3219.40 5177.76 62005.20 76985.32 36590.89 33822.61 110917.60 108044.40 50037.30 209206.10 23333.88 12039.00 33238.14 65764.01 210254.70 51592.86 13359.97 5622.41 20586.99 15366.34 89505.01 18525.31 116811.70 52410.75 63556.70 10635.94 0.00 38092.36 597947.00 3543.20 8657.68 25421.95 1742867.00 318520.00 34465.36 10972.45 60729.83 46808.66 43012.59 381915.10 55876.64 124376.40 41793.49 158961.20 35096.77 23769.59 6474.27 74230.23 68575.13 24930.18 44671.27 109664.40 88359.28 203759.20 80947.73 39846.58 55605.20 123699.90 193618.10 24132.63 0.00 24063.41 49820.86 26370.51 18629.21 122377.60 176201.40 353592.20 28193.50 32468.95 189499.90 134425.70 79672.96 22095.92 190666.60 11048.41 534947.80 42473.62 42797.79 20005.61 2486.92 0.00 11206.17 11431.77 70334.91 38286.09 35139.34 52507.55 167580.80 49672.79 13(S)-HODE 228138.20 258043.00 213851.20 223304.60 117739.40 683088.20 349672.00 235423.80 344975.50 288818.70 829713.10 685850.10 3877955.00 828683.00 1447940.00 659109.20 1094822.00 380081.10 491675.80 252975.90 275565.00 232233.60 251284.70 308360.80 175365.80 328056.60 662910.80 356374.60 125695.00 270888.40 348083.00 632111.40 242725.10 396902.60 324991.70 121181.00 589458.10 176010.90 130440.70 206876.60 171862.60 101602.90 332411.30 117975.30 452070.20 314209.10 228892.90 287720.10 975168.50 260786.80 620061.80 279988.90 95444.35 237731.50 184186.90 143232.80 236859.50 295031.50 310791.80 485002.80 965941.60 222547.50 185984.20 300426.90 270856.30 243048.80 125095.40 393650.60 207074.00 255456.80 411631.30 363142.40 778465.90 165972.20 236486.20 429104.30 438407.00 3039127.00 303535.60 431017.50 2419504.00 303905.20 133844.60 183147.50 293925.70 340866.10 133423.30 319966.80 698784.90 150747.60 392131.10 267390.50 232933.90 377262.00 246398.20 587795.40 772087.60 183628.30 515223.10 259550.60 551398.70 741427.70 475265.80 387673.40 453217.00 154318.80 155259.00 217291.40 274707.40 416558.60 120156.90 175412.40 209315.80 332122.60 179166.50 154395.90 354946.80 267570.10 708629.00 184014.40 201698.00 1482768.00 155372.70 293762.10 601767.10 239555.30 321868.40 632377.70 223459.50 11(R)-HPETE 60824.54 153938.90 306995.70 58713.25 119743.60 145653.00 33930.36 154354.50 334140.70 186635.30 218908.10 141809.40 143073.00 162587.40 241698.80 483358.10 163864.10 155826.20 54030.43 104855.20 78517.41 185650.20 266623.30 133375.10 87687.09 123600.30 98519.10 248413.10 61108.67 309910.60 578656.90 110507.70 271838.80 485826.20 68824.88 122577.60 262699.20 60052.92 245131.80 28154.16 304785.80 147139.10 57574.36 99997.37 244431.90 57897.27 341144.80 218105.40 99053.96 481574.60 403842.80 353169.60 92148.23 179331.00 131880.00 164823.80 339128.80 202540.70 266986.90 124740.10 183514.20 126544.20 66070.84 320292.60 407738.30 323528.70 274462.70 20582.44 139634.10 376131.00 91112.59 137885.30 355953.90 58185.29 80292.54 547994.00 53219.93 196322.70 34957.77 97561.81 120727.30 141342.50 113528.00 252618.90 382309.50 242307.70 181925.50 15244.30 311967.20 96421.90 56329.04 69294.98 89949.18 347325.80 84253.62 474215.50 370191.50 230612.40 106352.60 271335.60 443707.60 174184.90 52476.48 437325.60 278149.30 213810.90 234122.10 150877.80 109643.50 419923.40 176746.70 79886.07 239057.10 38614.36 217227.60 248765.10 623387.80 503231.70 200230.70 219219.20 83051.89 250673.30 129693.90 93266.54 446708.90 148628.60 255618.00 177977.80 166221.00 Prostaglandin A2 595502.90 226868.40 635568.70 696919.80 1633304.00 59056.05 402377.70 704384.80 94425.43 32781.72 333920.70 2759958.00 75012.47 78893.35 1501658.00 950247.20 82025.09 174603.10 790237.70 3124565.00 47030.06 408369.00 412066.00 67990.05 78685.46 86579.41 48642.91 268134.80 838883.30 166742.50 269333.10 106981.20 575186.20 256108.20 898294.00 56537.64 1310797.00 65662.20 105608.40 483963.30 83301.38 51407.01 4436736.00 229127.50 320470.70 215062.60 677469.20 946400.50 756026.80 416753.20 1035242.00 429723.80 36282.25 487015.60 58542.86 86225.77 62372.70 25175.88 419975.80 20227.29 97426.71 906726.30 553042.30 179014.80 41037.46 255948.80 202441.00 42698.04 247989.80 156278.80 73260.55 20548.54 1177399.00 40296.50 176178.90 63517.11 61575.78 3046001.00 1035500.00 625586.40 334407.10 757758.90 329676.00 75485.68 34266.55 1406713.00 49574.90 22723.00 706031.30 156030.50 1094753.00 9659083.00 49356.09 865662.00 41737.46 2470878.00 289885.90 43102.94 453451.80 58132.70 505837.50 1448437.00 28289.70 1302561.00 2246285.00 54100.28 1153322.00 43396.32 1178547.00 1248352.00 50102.72 44342.90 21804.24 53038.68 366615.20 117138.20 67874.12 40829.59 37044.99 38099.23 93318.41 53660.75 71879.58 42272.84 43546.14 214051.40 53244.07 1221935.00 1674229.00 Prostaglandin D2 596619.60 163746.80 113384.50 272933.00 81419.00 75852.79 135863.70 159436.20 411189.80 74098.12 76296.00 142632.00 123735.70 104775.70 244074.80 126677.60 137548.30 159936.00 99284.85 321738.50 259493.30 167658.80 166826.40 174423.30 141419.30 277557.60 163695.40 144812.00 107810.60 156127.70 501082.20 219950.50 274565.20 105289.20 248061.80 65031.61 120614.00 146265.10 149642.70 116822.00 240811.60 180393.70 206979.50 154050.80 230972.40 99179.03 54357.19 154169.40 182925.90 425438.10 222094.40 109224.00 116572.90 310312.70 179230.50 130072.70 128451.20 425650.40 111262.70 75785.61 122438.00 187062.10 163703.00 157615.80 57241.50 91555.48 168465.20 148396.80 200272.80 150919.90 374748.80 347761.60 91014.21 50301.96 198331.10 222950.80 196885.20 263304.50 115830.00 488043.50 331347.40 252757.10 181712.40 60400.14 150825.10 495142.30 115576.20 131760.40 120078.10 372466.30 199136.30 356137.00 93866.51 62911.50 135905.00 269478.80 54245.21 143147.70 72521.09 165953.80 217456.70 145331.10 130075.20 348979.50 140106.90 131171.00 104709.70 121470.40 240202.90 93617.71 70836.92 101679.90 96904.01 355818.00 81400.34 149915.10 171108.00 287280.60 76126.71 139046.90 144413.60 93375.59 288297.10 141868.10 200069.40 253898.40 145742.00 226381.70 358061.40 Prostaglandin D3 118307.80 362968.30 504634.20 94826.35 188625.40 226562.00 52642.19 230447.00 924914.40 348969.80 316786.60 220529.00 224136.00 325435.80 545793.90 1354302.00 275524.90 282948.10 80462.37 127276.70 135278.00 310656.30 341897.60 199586.20 106114.40 180977.80 138491.40 431547.00 105641.50 478255.20 1225617.00 151321.50 485616.10 982634.80 74836.62 236101.40 597864.60 102671.40 470743.60 60546.80 531721.00 283898.20 89415.31 217954.70 480719.90 70285.66 597719.00 334404.80 147546.00 1048269.00 785720.30 668198.20 146366.30 382020.50 217052.20 239515.40 748957.90 342463.90 478054.30 180465.60 330364.50 183092.30 104524.00 880412.00 692982.30 862952.50 568243.20 34925.86 239319.00 736021.20 152303.50 249691.20 610346.70 63916.97 147338.50 1282535.00 72374.48 305617.00 41007.51 178653.60 171260.90 191735.20 142683.00 471312.80 487262.50 410558.40 249983.70 14652.52 578905.90 151967.30 85934.00 120072.80 252994.60 686361.10 154045.60 971538.00 746755.70 337312.40 173189.50 626040.10 739085.20 289953.70 83568.61 747027.40 461419.10 448169.70 377157.70 213483.70 236133.30 1000254.00 338283.40 110051.80 383900.00 67848.31 662562.80 448331.70 1212465.00 964108.20 495706.80 324772.00 166865.40 553412.90 257822.10 174057.10 736424.80 219139.00 561407.10 283788.60 287850.30 Prostaglandin G2 808149.30 557025.50 325541.20 205460.80 196538.60 153475.50 544110.80 171305.30 677682.90 166096.10 145832.00 488592.20 279840.70 315038.70 408834.60 285857.40 160056.70 282734.80 268345.40 484503.20 1471540.00 659406.70 333086.00 508441.50 303527.60 2494666.00 641851.60 449555.00 205650.20 530030.10 511092.20 279357.80 405269.90 207550.30 311765.80 133421.00 203224.00 192183.20 186823.40 384504.20 385290.40 323553.80 306831.30 438939.50 752998.50 364367.40 81519.79 346369.90 1180887.00 539029.30 392647.40 118548.60 223141.40 225527.80 983001.10 208326.90 176821.60 438575.20 702066.30 237326.60 320995.60 260073.00 160053.80 208531.10 111738.40 365682.40 369740.70 291517.70 403311.80 575787.70 1849161.00 812556.20 461783.90 159572.30 436537.60 350565.70 265751.10 613644.20 266573.60 1015681.00 304112.30 360774.40 175028.70 122267.00 153700.50 571386.90 447111.80 234202.00 400086.20 119870.30 217089.40 409045.30 140647.60 186924.20 175948.90 481400.20 159691.40 555358.80 126797.10 106828.60 197686.10 661461.40 399628.50 377776.50 224861.10 226351.00 507316.70 649220.10 643025.50 164199.00 103456.20 152894.40 167581.20 2365205.00 413693.30 264317.60 541291.90 272829.70 126297.20 240436.70 913565.40 123044.60 194659.10 171888.20 416301.30 272069.00 274185.50 488998.60 195945.80 Leukotriene A4 98696.15 179860.20 378301.20 177069.10 114462.60 543451.80 51388.06 242490.40 820606.70 207275.80 587678.10 290385.50 639607.10 517871.60 519331.70 1753382.00 285056.90 179429.20 82899.50 184451.00 405872.90 301855.20 584168.80 481683.70 191435.40 411660.00 415265.90 262814.60 95938.44 540878.60 2342538.00 116215.80 475877.70 1375933.00 265352.00 211168.80 578724.80 65727.34 479502.10 95717.93 595627.10 370695.20 203989.30 151014.50 482692.60 166935.70 610504.70 493925.50 199306.10 1075196.00 1070094.00 597312.40 148401.50 361838.90 83887.73 115693.70 676210.40 165853.60 336856.70 110555.80 322121.80 185401.20 78493.18 1022998.00 398206.20 858184.30 315957.10 30072.70 154071.50 547895.50 123630.80 161948.70 567895.80 76933.22 127566.80 1601939.00 114230.50 265600.80 86902.12 201362.10 147351.10 126285.30 152600.60 378253.20 454683.40 389358.80 121520.20 28279.22 443992.60 127629.80 58773.44 124078.20 170411.00 799876.60 271917.20 1857870.00 630627.80 212859.90 165885.20 745264.20 619451.40 1150000.00 116664.30 1422104.00 538456.20 245177.80 179118.60 164929.60 160669.00 1151012.00 179167.00 71912.85 290907.50 310146.90 577353.00 562947.00 894784.20 1341707.00 153347.00 246148.70 364857.90 341831.20 238796.20 347523.10 713483.80 123940.80 549723.90 620392.90 329431.80 Biliverdin 49761.98 129859.20 80430.21 44983.59 58347.52 32155.57 43709.04 60608.00 30788.28 65283.48 312733.80 36297.12 58002.66 324312.80 75169.47 190199.90 81820.89 91119.48 283300.00 13138.70 275954.20 92114.90 68145.32 58911.46 309708.80 233384.80 85346.65 212458.50 58458.36 73721.09 590588.00 59387.84 63735.79 211208.60 188430.00 179251.50 206802.50 110872.40 66997.53 73896.63 294083.80 126214.50 113963.20 98647.34 40508.80 99123.34 129711.40 232480.70 58833.41 61120.77 70074.59 641334.10 203108.90 99060.99 136529.20 61471.55 144507.00 39635.74 77170.05 190212.20 73046.05 67987.68 98015.18 165440.00 110451.20 536041.20 74884.88 75532.16 100451.00 55277.21 123861.30 80099.38 63026.71 55036.28 51219.43 84181.09 37238.03 85756.76 101636.10 27924.47 307374.60 95645.20 118473.60 272716.90 87677.54 90576.53 76186.26 62698.83 252343.90 87666.48 237133.90 53964.56 151921.10 117134.80 61879.99 62095.02 134088.10 169744.50 50329.33 108552.10 240177.50 60136.54 182617.50 259325.90 98477.97 203743.40 77667.73 69685.42 55172.22 65075.47 191293.70 160488.00 42623.44 22479.38 97011.04 54929.20 185694.30 63355.78 101868.40 469927.50 576498.20 133212.70 124574.40 251503.70 258337.20 53550.19 182062.40 193382.20 239715.10 2-Methyleneglutarate 2675433.00 3072107.00 3720324.00 2168263.00 3807814.00 3099933.00 2064797.00 3030362.00 3485706.00 3986917.00 2671044.00 2373243.00 2926358.00 3224321.00 4013598.00 3136877.00 2980496.00 3890276.00 1828939.00 3822045.00 4385312.00 3189862.00 4422952.00 3248232.00 2853776.00 3314990.00 3148840.00 3949531.00 2054004.00 3039748.00 3157563.00 3170587.00 4771363.00 4087138.00 3970976.00 3258595.00 3125922.00 3537078.00 5832856.00 3514959.00 3700179.00 2540143.00 2914099.00 6084626.00 3510692.00 3205209.00 4037175.00 4130167.00 2911928.00 4027319.00 2904030.00 3500281.00 4241740.00 3036076.00 3072008.00 3200112.00 3406197.00 4017783.00 3612482.00 2785310.00 3087995.00 1890934.00 2371124.00 2921121.00 4384880.00 3704964.00 3890768.00 3651480.00 2637202.00 4410006.00 2904326.00 3841283.00 3247084.00 4666214.00 4023148.00 4052054.00 2362634.00 2838628.00 2288038.00 4181833.00 1637609.00 3647113.00 3586198.00 3899756.00 2377101.00 2733292.00 3070623.00 2243285.00 3032658.00 3539188.00 2981056.00 1941939.00 2629391.00 3983871.00 3842193.00 3506279.00 4350414.00 4182268.00 2742212.00 4412013.00 3489778.00 2774171.00 2758037.00 2922085.00 2534735.00 2926881.00 2601870.00 3440100.00 2897886.00 2697573.00 2739345.00 2472434.00 2778282.00 2994484.00 3537420.00 2953905.00 3356734.00 2958430.00 2896134.00 3271949.00 2917921.00 3357934.00 2713490.00 2209394.00 2741140.00 3161375.00 3788125.00 2357811.00 3002604.00 N-Acetyl-leucyl-leucine 8762.00 22595.32 34127.85 64455.01 11495.64 30019.71 13637.69 17862.21 26887.84 8166.00 41589.30 13165.86 24662.87 10556.69 24420.98 8146.87 48290.50 36988.55 60627.62 75136.30 20574.99 32154.94 21035.16 54426.08 20877.98 45876.13 14205.28 8616.76 5887.78 10168.94 180758.70 38932.04 6861.77 10175.46 14791.18 14830.54 11926.44 16483.53 70154.21 16108.91 59448.70 8525.17 33637.52 20550.73 13192.32 6595.27 37835.53 46388.14 22420.24 22098.52 15346.85 20137.31 39792.09 10332.83 28781.37 66945.66 24080.11 30249.19 43043.56 12622.92 13405.29 9574.13 19353.57 15529.78 49841.15 29864.26 39774.50 123062.60 12233.26 46771.20 13630.98 64789.62 10161.08 37571.88 19287.10 8349.85 50768.84 22928.29 153281.50 35590.93 11517.42 106278.80 23162.82 30560.17 22183.30 11453.64 10436.74 62702.69 162027.60 8576.52 133743.00 11474.94 77601.25 7662.51 19848.92 62176.97 7114.02 34978.77 12770.04 12285.42 14267.06 18841.29 27714.99 19515.01 16817.95 24135.90 42118.59 41685.82 24895.47 222748.60 74817.97 20630.49 16327.02 158082.80 11619.87 10454.93 12846.72 42633.62 36298.05 27805.05 52353.44 29069.23 6432.44 26052.42 27437.78 8837.07 18401.75 3203.15 32186.13 D-glucono-1,5-lactone 239535.90 478854.20 356613.80 332700.80 306664.80 332619.20 294080.10 426192.00 360989.20 332686.60 347079.30 531047.10 779046.40 408204.40 440909.20 262644.80 325834.30 423232.30 307579.50 401028.50 476542.80 349205.50 356612.90 293687.70 490397.30 348526.40 429886.50 359096.20 367404.10 526377.20 394253.50 350278.90 428398.40 324166.60 500760.20 283317.60 528463.10 357232.10 349734.70 490444.00 382033.20 561325.00 467235.60 665761.50 238514.60 266076.10 446266.00 347378.20 278246.80 431108.50 810962.40 701280.70 463360.20 574631.00 372349.50 282481.20 359616.00 441501.10 422193.60 323325.70 452855.20 320811.90 382927.60 286972.00 349573.50 329800.30 744551.50 361825.80 460813.90 407888.40 464429.90 552791.80 569749.80 356862.40 590142.20 481745.10 527203.60 462135.50 782371.80 734337.60 752831.20 385801.90 417852.40 496405.30 452802.80 573152.90 648842.30 353804.70 388750.70 551952.60 345891.60 593090.30 632271.60 449519.20 638478.50 508136.40 514971.40 422972.00 405611.00 422048.10 363915.40 585577.40 470052.80 262418.90 397148.00 468434.40 298075.30 309205.70 431309.50 1021759.00 351309.00 418970.70 516049.90 393163.50 556143.50 246604.70 452307.20 343425.60 379715.90 351103.50 479709.10 366110.70 660629.40 807588.00 708837.80 478880.30 287657.10 455446.00 348288.80 Catechin 1083404.00 1343083.00 1215057.00 1442152.00 1612398.00 1402426.00 967986.20 1191993.00 1054132.00 1217472.00 1533185.00 1190446.00 1362016.00 1092936.00 1262077.00 1307487.00 1702820.00 1168261.00 1157172.00 1259898.00 1170908.00 890662.30 1528190.00 1607647.00 1267034.00 1282523.00 974850.80 1217521.00 1365135.00 1423892.00 1161170.00 1273562.00 1562569.00 1419844.00 1139789.00 1263011.00 1901141.00 1171380.00 989383.20 1072004.00 1089510.00 1163659.00 1144128.00 961273.60 1361948.00 1429868.00 1153955.00 1154467.00 1440583.00 1718328.00 1581052.00 1131487.00 1342535.00 1197997.00 1004026.00 1284313.00 1253122.00 1128363.00 1255910.00 1169433.00 1013639.00 1165653.00 1112178.00 1450668.00 1266087.00 1176775.00 1193195.00 1300238.00 1268666.00 1084869.00 1283231.00 1064982.00 1182553.00 1258407.00 1214900.00 1175140.00 1184950.00 1186912.00 1551303.00 1379019.00 1674642.00 1397984.00 1053619.00 1249677.00 1052488.00 1227078.00 1013509.00 1300004.00 1237638.00 1469889.00 961895.50 1304818.00 1484682.00 954700.90 1219654.00 1305245.00 1350136.00 1361128.00 1128567.00 1351003.00 1335940.00 1299999.00 1866132.00 1296196.00 1745262.00 1361771.00 1448837.00 1269664.00 1422496.00 1333243.00 1378363.00 1401221.00 1335906.00 1065190.00 1126018.00 1386078.00 1377813.00 1318075.00 1170557.00 1406163.00 1153963.00 1345276.00 1704342.00 1070177.00 1446905.00 1250360.00 962265.40 1047093.00 1288633.00 Fe(III)dicitrate 63726.53 73027.15 95366.25 43756.06 285223.90 418826.50 410652.00 450495.90 354754.20 409906.80 564687.90 533596.30 484443.00 334785.30 547290.20 484265.20 505757.30 414453.80 409541.10 305756.80 709388.70 607143.60 557855.80 383770.20 397886.70 535661.20 451190.00 562041.70 737295.00 433760.80 609685.60 540371.10 542761.40 707539.90 885651.80 490602.00 515583.00 707788.20 642913.10 496255.10 572936.80 459240.40 531542.80 451690.20 322324.50 378570.30 330373.80 686154.10 681250.90 492511.50 415870.20 287189.90 470513.20 683528.60 481439.80 284080.20 489103.70 357526.00 306586.00 425457.00 719092.70 388912.00 288256.70 592557.70 277705.30 514387.80 408208.50 467606.50 461776.20 531894.60 466790.80 386722.00 531051.50 284987.60 706581.20 599519.70 273934.90 489431.10 466062.20 481858.80 447287.40 354481.20 526704.40 792117.80 521977.50 570019.90 509568.40 550970.20 277289.10 488825.60 592294.90 504578.80 469020.30 574796.10 442056.90 624939.40 587121.60 368846.90 103781.40 526180.30 377093.10 652797.70 441431.30 346539.10 600991.80 625158.20 355659.40 509891.10 594147.40 375389.70 449833.00 390626.30 556957.40 355545.50 528458.40 388268.80 665392.10 386486.00 396630.50 429323.30 359697.20 465112.30 388309.90 669935.80 579980.10 402979.20 678662.20 342438.10 378875.80 Vanillate 125537.10 125414.90 114363.30 0.00 197515.10 102204.50 88831.65 137257.50 264329.10 100012.10 0.00 113070.70 397796.90 81311.49 204176.20 115630.60 88282.57 36602.64 102855.20 174088.60 51442.04 32277.59 38567.68 212120.80 102751.70 0.00 266045.40 227088.70 752977.80 132775.00 48627.17 106452.40 67283.48 147064.80 299570.30 43754.55 331763.80 37289.85 180038.30 73680.15 413448.10 98831.22 343150.50 123290.50 138005.30 55217.67 159969.80 252114.20 112841.10 306972.50 70802.50 137788.80 56366.08 94771.32 162239.70 26436.37 33999.14 153635.20 151210.80 94000.10 81681.22 67896.28 109090.40 858167.00 0.00 59648.67 49430.14 25637.72 98413.88 24594.02 123681.20 80264.46 140876.00 212694.10 23491.34 0.00 0.00 151798.60 307672.90 261928.50 184819.00 210257.90 92995.66 81916.06 78835.09 72497.48 39992.48 219182.20 134316.60 253505.50 292317.20 435986.80 27694.39 713360.90 51724.61 229454.10 179865.90 0.00 192786.20 208247.60 43264.36 69336.16 411102.00 135496.70 116028.10 75743.84 253475.30 39362.32 21708.81 487670.60 68360.46 198552.40 74648.22 364713.00 140491.30 31968.33 52044.52 21130.30 607378.20 36598.81 0.00 33829.80 32405.21 216379.20 91946.34 109399.30 152281.70 136633.00 122563.10 10-Hydroxydecanoic acid 383686.60 826027.20 596038.60 284863.90 275843.20 889673.70 400885.50 627232.20 588107.50 367129.20 1663047.00 742811.60 1143516.00 1214733.00 833161.40 1204109.00 673510.60 673962.10 625070.10 666884.80 1677923.00 575489.00 725670.00 324249.00 552217.40 756695.10 397528.30 922675.80 425644.10 1217234.00 1426984.00 346109.80 466478.40 889632.90 1205330.00 636071.30 687813.90 332651.50 591861.80 635001.50 1760026.00 612055.70 925905.00 547330.30 765416.60 503405.80 905837.50 523940.30 1053950.00 1071886.00 1024536.00 1714325.00 330246.00 564362.30 323139.70 392422.80 860057.90 379896.60 619275.80 507340.40 879854.80 447160.70 480939.50 1297099.00 458763.70 889626.80 496767.40 421152.00 421469.10 615119.70 314096.40 741104.40 997693.80 295038.90 464982.50 2094700.00 837565.60 476278.30 536053.70 304136.00 426853.60 820502.30 1108793.00 826349.70 530452.00 752518.00 760843.70 242613.50 1234287.00 600459.40 254336.60 566243.90 507663.40 917665.20 328677.40 1888106.00 595054.00 499654.40 364176.30 4137602.00 1065225.00 1002709.00 385502.80 848677.20 1412931.00 503096.20 391096.10 365600.80 353991.20 1198092.00 512830.70 298108.80 436798.50 732603.70 977423.20 3185405.00 1363598.00 874146.50 459824.20 518566.90 371353.50 682521.20 678792.10 846954.70 779716.10 581385.70 1277327.00 835874.30 1021481.00 metabolite_name KEGG ID quantitated m/z medRt Allantoin C02350 157.0359 0.670 Urate C00366 167.0205 0.647 3',5'-Cyclic IMP C00943 329.0313 0.517 Phosphate C00009 96.96851 0.637 Diphosphate C00013 176.9355 0.633 D-Glucose C00031 179.056 0.664 D-Glyceraldehyde 3-phosphate C00118 168.9888 1.712 Pyruvate C00022 87.00754 0.654 Lactate C01432 89.02319 0.650 Mannitol C00392 181.071 0.674 D-Ribose C00121 149.0449 0.642 D-Rhamnose C01684 163.0606 0.676 D-Arabitol C01904 151.0606 0.676 Citrate C00158 191.0195 0.592 2-Oxoglutarate C00026 145.0136 0.603 2-Oxoglutaramate C00940 144.0293 0.641 Succinate C00042 117.0183 0.612 Malate C00149 133.0135 0.611 2-Hydroxyglutarate C02630 147.0292 0.632 Dehydroascorbate C05422 173.0085 0.597 gamma-L-Glutamyl-D-alanine C03738 217.0835 0.615 (5-L-Glutamyl)-L-glutamine C05283 274.1055 0.626 N-Acetylneuraminate C00270 308.0996 0.639 4-Acetamidobutanoate C02946 144.0658 0.663 trans-4-Hydroxy-L-proline C01157 130.05 0.656 3-Sulfocatechol C06336 188.9863 0.674 Indole-3-acetaldehyde C00637 158.0605 1.910 Indolepyruvate C00331 202.0495 0.677 L-Tryptophanamide C00977 202.0957 0.572 Ethanolamine phosphate C00346 140.0113 0.645 Pentanoate C00803 101.0596 0.676 Hexanoic acid C01585 115.0753 1.712 Heptanoic acid C17714 129.0911 1.821 Octanoic acid C06423 143.1071 1.929 Nonanoic acid C01601 157.1229 2.030 Decanoic acid C01571 171.1387 2.161 Dodecanoic acid C02679 199.17 2.397 Tetradecanoic acid C06424 227.2016 2.655 Hexadecanoic acid C00249 255.234 3.026 Octadecanoic acid C01530 283.2655 3.565 Tetradecenoic acid C08322 225.186 2.439 Hexadecenoic acid C08362 253.2184 2.693 Octadecenoic acid C00712 281.2498 3.067 Linoleic acid C01595 279.2341 2.753 a-Linolenic acid C06427 277.2184 2.550 Arachidonic acid C00219 303.2343 2.660 Dodecanedioic acid C02678 229.1447 1.720 Adrenic acid C16527 331.2656 2.921 Dihomo-gamma-linolenic acid C03242 305.2499 2.832 Docosapentaenoic acid C16513 329.25 2.686 Undecanoic acid C17715 185.1543 2.276 Ursodeoxycholate C07880 391.2892 1.963 Glycochenodeoxycholate C05466 448.3086 1.785 Glycocholate C01921 464.3039 1.761 Taurodeoxycholate C05463 498.2918 1.784 Taurocholate C05122 514.285 1.762 13(S)-HODE C14762 295.229 2.231 11(R)-HPETE C14820 335.2223 2.693 Prostaglandin A2 C05953 333.2093 1.944 Prostaglandin D2 C00696 351.2223 1.970 Prostaglandin D3 C13802 349.2067 2.694 Prostaglandin G2 C05956 367.2159 1.935 Leukotriene A4 C00909 317.2082 2.752 Biliverdin C00500 581.2423 1.792 2-Methyleneglutarate C02930 143.0341 0.663 N-Acetyl-leucyl-leucine C11333 285.1833 1.749 D-glucono-1,5-lactone C00198 177.0402 0.646 Catechin C17590 289.069 0.570 Fe(III)dicitrate C06229 389.0964 2.410 Vanillate C06672 167.0346 0.673 10-Hydroxydecanoic acid C02774 187.1335 1.779