metabolite_name SPIN_5neg_T21_1-L15-158 SPIN_5neg_T21_2-L15-171 SPIN_5neg_T21_3-L15-188 SPIN_5neg_T21_4-L15-189 SPIN_5neg_T21_5-L16-010 SPIN_5neg_T21_6-L16-026 SPIN_5neg_T21_7-L16-038 SPIN_5neg_T21_8-L16-057 SPIN_5neg_T21_9-L16-058 SPIN_5neg_T21_10-L16-065 SPIN_5neg_T21_11-L16-076 SPIN_5neg_T21_12-L16-077 SPIN_5neg_T21_13-L16-116 SPIN_5neg_T21_14-L16-127 SPIN_5neg_T21_15-L16-128 SPIN_5neg_T21_16-L16-234 SPIN_5neg_T21_17-L16-241 SPIN_5neg_T21_18-L17-074 SPIN_5neg_T21_19-L17-095 SPIN_5neg_T21_20-L17-132 SPIN_5neg_T21_21-L17-145 SPIN_5neg_T21_22-L17-153 SPIN_5neg_T21_23-L17-160 SPIN_5neg_T21_24-L17-191 SPIN_5neg_T21_25-L17-192 SPIN_5neg_T21_26-L17-194 SPIN_5neg_T21_27-L17-201 SPIN_5neg_T21_28-L17-211 SPIN_5neg_T21_29-L17-226 SPIN_5neg_T21_30-L17-236 SPIN_5neg_T21_31-L17-245 SPIN_5neg_T21_32-L17-291 SPIN_5neg_T21_33-L17-293 SPIN_5neg_T21_34-L17-300 SPIN_5neg_T21_35-L18-007 SPIN_5neg_T21_36-L18-022 SPIN_5neg_T21_37-L18-029 SPIN_5neg_T21_38-L18-030 SPIN_5neg_T21_39-L18-042 SPIN_5neg_T21_40-L18-051 SPIN_5neg_T21_41-L18-059 SPIN_5neg_T21_42-L18-061 SPIN_5neg_T21_43-L18-062 SPIN_5neg_T21_44-L18-087 SPIN_5neg_T21_45-L18-100 SPIN_5neg_T21_46-L18-113 SPIN_5neg_T21_47-L18-133 SPIN_5neg_T21_48-L18-152 SPIN_5neg_T21_49-L18-171 SPIN_5neg_T21_50-L18-275 SPIN_5neg_D21_51-L15-181 SPIN_5neg_D21_52-L15-195 SPIN_5neg_D21_53-L16-009 SPIN_5neg_D21_54-L16-033 SPIN_5neg_D21_55-L16-048 SPIN_5neg_D21_56-L16-056 SPIN_5neg_D21_57-L16-086 SPIN_5neg_D21_58-L16-087 SPIN_5neg_D21_59-L16-107 SPIN_5neg_D21_60-L16-145 SPIN_5neg_D21_61-L16-146 SPIN_5neg_D21_62-L16-153 SPIN_5neg_D21_63-L16-202 SPIN_5neg_D21_64-L16-208 SPIN_5neg_D21_65-L17-032 SPIN_5neg_D21_66-L17-090 SPIN_5neg_D21_67-L17-125 SPIN_5neg_D21_68-L17-131 SPIN_5neg_D21_69-L17-170 SPIN_5neg_D21_70-L17-207 SPIN_5neg_D21_71-L17-210 SPIN_5neg_D21_72-L17-235 SPIN_5neg_D21_73-L17-246 SPIN_5neg_D21_74-L17-274 SPIN_5neg_D21_75-L17-276 SPIN_5neg_D21_76-L17-292 SPIN_5neg_D21_77-L18-020 SPIN_5neg_D21_78-L18-021 SPIN_5neg_D21_79-L18-028 SPIN_5neg_D21_80-L18-044 SPIN_5neg_D21_81-L18-098 SPIN_5neg_D21_82-L18-130 SPIN_5neg_D21_83-L18-162 SPIN_5neg_D21_84-L18-170 SPIN_5neg_D21_85-L18-197 SPIN_5neg_D21_86-L18-205 SPIN_5neg_D21_87-L18-238 SPIN_5neg_D21_88-L18-302 SPIN_5neg_D21_89-L18-303 SPIN_5neg_D21_90-L18-314 SPIN_5neg_D21_91-L18-342 SPIN_5neg_D21_92-L19-006 SPIN_5neg_D21_93-L19-007 SPIN_5neg_D21_94-L19-014 SPIN_5neg_D21_95-L19-015 SPIN_5neg_D21_96-L19-016 SPIN_5neg_D21_97-L19-032 SPIN_5neg_D21_98-L19-065 SPIN_5neg_D21_99-L19-080 SPIN_5neg_D21_100-L19-114 Adenosine 194216.80 156920.80 86924.71 126504.90 218486.20 149704.00 150379.60 168668.50 108008.20 107087.00 202502.80 142474.50 150806.10 270067.90 184297.80 130499.40 210904.80 134531.80 181506.80 150000.20 204475.50 211147.90 117225.50 166673.20 154319.40 143934.70 136499.80 183931.70 104604.10 258222.70 106638.40 192782.50 162384.80 147187.00 185426.80 166404.80 113092.00 64886.48 117650.70 197314.40 129222.90 111130.70 165372.90 140236.30 163514.20 185653.30 87095.16 117845.40 234098.40 110127.70 176544.60 190344.60 125766.30 203174.30 132609.70 159489.00 239943.20 251390.10 145947.30 155988.80 186933.80 211988.10 145404.20 164091.50 93342.59 162861.50 180929.80 177851.80 130062.10 138317.80 187175.80 112061.40 186577.90 141133.20 186347.50 128083.40 244185.90 200530.00 171620.90 224019.20 162801.50 315355.60 199263.10 131238.10 289798.00 115186.80 127998.10 106292.10 218448.70 106331.20 121332.80 125497.00 148286.30 151655.00 157168.00 108703.30 198784.10 155847.20 170595.20 189995.40 Inosine 726310.20 898654.50 756729.40 634749.00 595348.00 1106826.00 707597.20 414431.40 594635.90 1024437.00 594241.20 779970.90 646766.80 824360.50 542908.20 647282.80 855131.60 897747.20 444668.10 737258.00 698671.20 652096.60 727042.90 711673.60 708990.20 1002818.00 586965.80 755812.60 628087.60 796598.80 719115.60 566926.10 790444.00 641854.50 538943.00 771931.00 690349.10 668102.20 529718.20 574456.80 852199.10 468783.30 700532.70 894267.30 689995.90 791060.60 1302046.00 530095.00 547879.30 513597.50 893291.20 381927.00 823821.50 622322.50 639350.50 602725.50 1121511.00 696953.00 584430.80 486043.40 519500.80 614272.90 991993.50 851947.80 620058.60 407838.00 604903.40 611666.90 661512.90 458526.70 780953.40 417287.10 637965.60 781982.20 958054.70 779152.40 564652.90 612410.20 678420.80 560401.30 670774.70 1154795.00 721478.50 524687.40 567460.70 393488.70 455379.90 696167.30 498394.00 926735.20 505132.70 595959.20 905932.20 612875.30 600352.40 759003.50 695449.80 906845.50 452268.30 759938.20 5-Hydroxyisourate 302536.50 162184.50 253860.80 252535.70 291786.10 91511.55 229600.90 91371.99 212338.30 400161.10 171380.80 204286.10 263593.40 287418.60 273063.80 226541.10 274029.30 115498.00 212372.30 214022.00 428198.80 172329.80 576054.80 587767.20 314164.50 184408.70 247985.60 650255.20 247583.10 238885.90 398819.00 333619.20 148777.30 604104.60 97117.21 354856.70 313510.40 198387.60 372920.50 299367.10 824342.80 303672.70 342559.80 298187.30 373829.30 204068.90 298947.30 401101.80 354894.30 291682.60 161483.00 39428.78 366110.20 223589.50 298251.80 333271.80 333510.40 138896.60 426781.80 209425.40 82051.73 131602.00 679092.90 198532.40 187843.10 236477.00 154394.60 359479.50 113498.40 119778.40 441981.30 176362.20 182123.70 493173.00 229576.50 222614.80 17810.61 195996.80 512446.30 212602.50 346860.20 239192.90 441338.30 327867.80 142602.30 224230.90 233607.80 429500.80 113547.60 184248.60 147480.90 127794.20 273708.00 141219.70 421769.10 120023.00 89311.41 225291.20 104019.90 358291.20 Urate 1787038.00 476623.00 2376849.00 1483993.00 831231.80 1178980.00 1633741.00 1345274.00 2197717.00 1536560.00 1749154.00 2201993.00 1220410.00 2201400.00 753897.70 914265.80 2601762.00 1643881.00 658016.80 2956712.00 1562502.00 1010309.00 1855022.00 2803825.00 1565310.00 1648288.00 1230851.00 4078260.00 1005551.00 2133380.00 1637475.00 1939973.00 977998.40 4235416.00 1632731.00 1689719.00 1110454.00 1533992.00 1840682.00 1427719.00 3885814.00 1496026.00 1445792.00 1485418.00 1335016.00 1124929.00 1327834.00 3193180.00 2595528.00 1345252.00 1038768.00 1522832.00 1484251.00 1119742.00 611099.70 1722628.00 1089938.00 2379010.00 1518024.00 1259292.00 444310.00 471503.90 2913917.00 1116124.00 635246.50 1138846.00 1850435.00 1426637.00 2053901.00 1318664.00 1923450.00 514597.30 894185.30 1754745.00 1343784.00 2088958.00 1382552.00 641241.60 2227400.00 1017793.00 1197565.00 2836995.00 2810098.00 1417124.00 1140979.00 1150107.00 955651.50 2347248.00 2292905.00 914234.00 562372.20 721324.80 1134218.00 933727.80 1349272.00 626629.60 1348598.00 2881312.00 3308070.00 1563495.00 D-Glucose 64125240.00 61757640.00 72028740.00 47259840.00 56646160.00 63695120.00 71786900.00 46060400.00 62188720.00 78968300.00 71700970.00 64461440.00 57136560.00 55254650.00 62247180.00 70306660.00 67251840.00 69445880.00 68965690.00 65453340.00 65832770.00 67442870.00 74688290.00 81338140.00 78042780.00 68579140.00 50824630.00 51619020.00 61482540.00 54177950.00 58341450.00 63484920.00 70140300.00 64054350.00 68584700.00 59733370.00 60080240.00 56403940.00 70811670.00 75329530.00 57760030.00 56384050.00 69211740.00 116708200.00 69210730.00 64500270.00 110563100.00 55616480.00 75375580.00 61707780.00 58588270.00 60351020.00 65958250.00 57504280.00 69490010.00 77329820.00 72969400.00 62022990.00 65652000.00 63026970.00 60660980.00 63092110.00 60715950.00 47623920.00 61485440.00 50138470.00 72902940.00 68222990.00 64833110.00 60874230.00 64332130.00 49460150.00 71747080.00 63059490.00 92485320.00 69490600.00 63349080.00 58352770.00 68113380.00 56968560.00 69283930.00 107026000.00 69034980.00 64571420.00 63896270.00 57222430.00 57607880.00 68071140.00 60516940.00 69339190.00 57879370.00 56353260.00 78641270.00 55759480.00 77573780.00 65095840.00 66652780.00 98426050.00 64323850.00 66422790.00 D-Glucose-phosphate 75726.76 63251.06 91266.40 35491.37 39161.95 101635.30 107288.30 50876.99 54660.11 24667.87 89493.29 72448.84 47124.20 131563.60 136407.00 46975.49 67032.04 68851.77 71495.02 79176.21 56497.76 91852.68 93220.66 81821.05 44440.34 104853.50 78002.41 46046.00 64879.59 123514.70 92331.16 61408.25 15328.32 51636.33 63981.47 52725.25 33383.82 73092.33 45736.39 65663.05 67151.30 67465.68 22663.42 37562.86 82809.09 78400.19 37524.64 105858.70 62917.46 52593.80 40288.52 33545.56 66727.63 98859.40 88636.66 71312.22 8290.43 27199.62 51067.58 52225.97 71494.10 116241.50 39399.05 92401.59 65163.47 48758.72 55772.96 76555.53 36196.32 77244.42 64983.11 55708.92 68766.58 73467.77 48322.39 46459.78 36943.31 50312.95 36180.06 49792.97 70397.45 47994.61 94536.18 58459.41 46961.75 63389.94 43037.00 24331.05 66791.96 60776.65 57314.64 42236.40 11415.62 66984.65 14971.58 30667.06 48105.21 91020.56 54162.10 41475.38 D-Glyceraldehyde 3-phosphate 91271020.00 73092010.00 98105720.00 103645100.00 81761640.00 82420250.00 88443500.00 100803300.00 88610050.00 80547100.00 89155320.00 105005500.00 94892260.00 122957400.00 82590010.00 77880260.00 111623500.00 69325060.00 116166200.00 109791800.00 67988340.00 89440090.00 117894500.00 76566430.00 86704310.00 108584100.00 94672800.00 95095270.00 64056130.00 123567000.00 125259100.00 94161640.00 89908230.00 76542570.00 118808400.00 70023350.00 84784270.00 108891200.00 73713670.00 95493220.00 87668340.00 83793910.00 85285450.00 84571050.00 83707960.00 75261060.00 133360300.00 113589100.00 91288250.00 96552260.00 101257300.00 145636700.00 92526980.00 113950800.00 107044300.00 155136100.00 74049040.00 83789260.00 83684950.00 143253600.00 84992740.00 101980800.00 75401860.00 104022400.00 74864090.00 117837800.00 89592620.00 100336100.00 94269000.00 91081540.00 104175900.00 74576660.00 93331220.00 74169140.00 65842860.00 113814100.00 119419600.00 101831100.00 77936810.00 74873820.00 78724400.00 102634500.00 76914840.00 161948600.00 102045300.00 90740300.00 95331320.00 166239600.00 108164300.00 77905090.00 97552790.00 82665300.00 101431600.00 102221300.00 88252000.00 91560620.00 104143000.00 75112740.00 103372600.00 84821690.00 Phospho-D-glycerate 156125.20 125862.90 177800.30 251105.60 139655.00 152503.30 187157.00 146439.20 139292.20 146444.60 179954.80 137973.40 210530.90 190023.20 165439.30 149677.40 191958.50 133946.80 237421.30 180343.50 102883.90 143902.70 223882.10 135245.20 179560.40 154006.90 176376.90 183922.90 135847.10 189062.00 245754.00 142131.30 139659.70 155140.40 178777.70 151457.30 183161.60 191890.00 153354.50 173149.80 160465.20 124744.10 170065.20 151893.10 164614.20 152194.90 233400.90 195711.60 155254.80 177557.00 185873.70 204034.80 160684.50 291248.40 228009.20 228679.60 135979.50 125007.90 155166.80 255138.80 162094.90 182393.80 111097.40 181700.90 154605.70 174080.90 156774.70 250645.70 134110.80 133157.60 169166.10 132384.50 166395.60 123026.80 159734.80 184383.90 192758.00 236972.40 158580.00 154062.00 91945.02 136981.60 130395.20 315489.80 205448.90 158678.30 192435.20 335536.10 155312.30 174594.00 182502.60 144525.00 219000.70 206417.00 195824.70 160781.90 197643.00 138575.10 184197.10 140332.80 Pyruvate 6354832.00 6894214.00 8600834.00 5017856.00 7035112.00 9277972.00 8178420.00 10111610.00 8124394.00 11617320.00 8465601.00 9231721.00 7699786.00 9254053.00 6751550.00 7723986.00 9437687.00 10112190.00 6164870.00 8174454.00 7254058.00 7549626.00 8191912.00 6394274.00 7327044.00 11340290.00 7488282.00 6761212.00 5013050.00 6808184.00 6878162.00 5510372.00 8003330.00 9696357.00 8358192.00 8216394.00 6809378.00 7185720.00 5907146.00 7779626.00 6975046.00 6283170.00 7280476.00 8626971.00 5125362.00 7484276.00 11044920.00 7762896.00 5250425.00 8563426.00 7875838.00 7035232.00 5933942.00 6221802.00 5139416.00 6103562.00 10250230.00 9746907.00 6681858.00 6221206.00 4773966.00 5971738.00 6084642.00 6302606.00 6254732.00 6736866.00 7542774.00 6452862.00 7548650.00 7561698.00 9086626.00 5527928.00 6242346.00 7818160.00 8047906.00 9011091.00 9586064.00 5240256.00 5888016.00 5905134.00 6722766.00 13092990.00 9159853.00 6053860.00 5049132.00 5864722.00 6173364.00 6400310.00 8374360.00 9142733.00 4226566.00 5904654.00 8231856.00 6644836.00 8029314.00 7472264.00 8383348.00 7975614.00 7345224.00 7473126.00 Lactate 71679930.00 57772400.00 66378780.00 49867300.00 64446280.00 79206050.00 65857790.00 86940250.00 76096900.00 92170750.00 74725140.00 79995320.00 69764030.00 90198490.00 68052550.00 78739890.00 92206860.00 79425850.00 60856560.00 72386120.00 69400730.00 70810010.00 75798010.00 67339690.00 73968120.00 87614460.00 64703530.00 70264100.00 50089190.00 59484480.00 62926480.00 62830500.00 78306780.00 89932000.00 81215700.00 71278530.00 76099900.00 71020440.00 69301140.00 78445440.00 58284390.00 59486600.00 73734600.00 75840190.00 64416300.00 85638600.00 89278690.00 75232220.00 63602120.00 68256440.00 74328360.00 75939740.00 59584850.00 63763790.00 61820680.00 55664600.00 87072280.00 63702000.00 64253760.00 70979620.00 61027960.00 54750430.00 63032020.00 60696140.00 66020290.00 69646150.00 64535390.00 66604130.00 66952990.00 73986440.00 86568900.00 70316160.00 55516190.00 70988620.00 72480870.00 89075180.00 88013900.00 49525490.00 64363440.00 64047740.00 75014940.00 118427600.00 79085580.00 63175950.00 47760950.00 55357290.00 63962060.00 68799980.00 79443100.00 70540570.00 48497920.00 55693520.00 77023190.00 65531460.00 69996570.00 58518010.00 66652780.00 85841700.00 69307770.00 68659800.00 Mannitol 4000298.00 2472844.00 3048461.00 3474521.00 4661084.00 4858530.00 3696879.00 2733531.00 2996882.00 3253668.00 4688002.00 3610539.00 3260646.00 4126406.00 3291803.00 4191314.00 4910444.00 3754406.00 5944814.00 4173905.00 4528446.00 4336880.00 5580454.00 5629186.00 5033922.00 4167263.00 2772603.00 4283034.00 2856543.00 4906880.00 3423388.00 5256394.00 7664808.00 3262773.00 4207180.00 3488877.00 3654274.00 3794401.00 4318960.00 6736086.00 3618419.00 4502849.00 5055032.00 10935680.00 4964941.00 3532045.00 5453335.00 2732007.00 6519012.00 2791903.00 4400590.00 2792676.00 4540802.00 6240368.00 4060619.00 6124342.00 4964100.00 3781966.00 3565880.00 4052920.00 4539265.00 5440148.00 5331814.00 3966022.00 3696949.00 4212790.00 5335122.00 4908664.00 3021221.00 2774582.00 5099790.00 3393056.00 5415228.00 4197184.00 6172648.00 3776286.00 5290496.00 4283580.00 4910558.00 4562444.00 5164812.00 12598420.00 4115207.00 4643726.00 5866994.00 3869593.00 3406721.00 5133036.00 3788473.00 4314718.00 4421984.00 3955466.00 5540316.00 3858296.00 4146416.00 4826924.00 4321744.00 5251794.00 3676212.00 5784054.00 D-Ribose 1742743.00 1596928.00 1930179.00 1516010.00 1945061.00 1737557.00 1770760.00 1354755.00 1444272.00 1873791.00 1818162.00 1612446.00 1390457.00 1368125.00 1593769.00 2349269.00 1662848.00 1811418.00 1866310.00 1765377.00 1934822.00 1913694.00 2233702.00 2516221.00 2198777.00 1725302.00 1736354.00 1743103.00 2033950.00 1600557.00 1592951.00 1932340.00 1995780.00 1688805.00 1767439.00 1724075.00 1751280.00 1544473.00 1811731.00 2210745.00 1954097.00 1865906.00 1989719.00 3057334.00 1944221.00 1756182.00 2919920.00 1569304.00 2046670.00 1722075.00 2033512.00 1632625.00 2006403.00 1592926.00 1919625.00 2058901.00 2146274.00 1638010.00 1759985.00 1637322.00 1756456.00 1675863.00 1974556.00 1536372.00 1726108.00 1574936.00 1812789.00 1988124.00 1482108.00 1428090.00 1907981.00 1407103.00 2056403.00 1759281.00 2417265.00 1833525.00 1526295.00 1736981.00 1904030.00 1936430.00 1723564.00 2774853.00 1701663.00 1864382.00 1802127.00 1555104.00 1943459.00 1751350.00 1432414.00 2041681.00 1597347.00 1663942.00 2238522.00 1580445.00 2011071.00 1570892.00 1607005.00 2417404.00 1605721.00 1951113.00 D-Rhamnose 4508072.00 2216742.00 1930136.00 4664342.00 3671728.00 3386482.00 3539266.00 1778765.00 1594362.00 3115416.00 3915625.00 2321000.00 2581000.00 399939.20 3443184.00 1595429.00 2701237.00 2371046.00 3317589.00 1183478.00 4502296.00 3536551.00 6282886.00 4685986.00 2911999.00 3531797.00 2410994.00 3981794.00 4406418.00 3213449.00 4929446.00 4854556.00 2864835.00 3644236.00 2086044.00 5693960.00 3044229.00 6530180.00 4620542.00 4290214.00 1821324.00 2637882.00 4122707.00 984055.50 3990582.00 2767274.00 2517766.00 2395145.00 4224128.00 3951287.00 4330968.00 1319435.00 2221851.00 1101127.00 2308202.00 2002218.00 4492398.00 1339839.00 2311779.00 3035510.00 3615895.00 4852822.00 3090230.00 2023326.00 1510932.00 3064450.00 2199671.00 2612405.00 3115338.00 1606158.00 2219812.00 2469826.00 1789736.00 3686343.00 179034.40 3620594.00 2468188.00 2157479.00 4317922.00 4626383.00 2890387.00 795615.00 3279478.00 1234783.00 2150339.00 2831679.00 2946060.00 4282132.00 2004922.00 3832285.00 3003157.00 3646374.00 3397482.00 3769080.00 1634651.00 2545465.00 2850546.00 1448150.00 1293987.00 2699926.00 D-Arabitol 3021769.00 2119208.00 1879957.00 2914419.00 6867062.00 3030915.00 3085030.00 1863058.00 1765957.00 1748779.00 3610695.00 2329209.00 1833098.00 2613859.00 2479662.00 5002126.00 3983138.00 2160991.00 6083128.00 2349325.00 5202282.00 4309132.00 4279154.00 5283322.00 4015162.00 2632407.00 3191344.00 3838248.00 2703924.00 4722302.00 3292081.00 5236908.00 5278588.00 2563374.00 3155972.00 2933379.00 3161868.00 3998623.00 2366401.00 4779338.00 2446222.00 3239101.00 4251496.00 3622284.00 3004455.00 3357537.00 2974336.00 2009169.00 4010934.00 1810300.00 3475940.00 2543068.00 5257506.00 5668674.00 3016636.00 3836460.00 4631362.00 3307596.00 2398353.00 2987441.00 4750476.00 7663438.00 3818781.00 3859719.00 2426828.00 4053550.00 2588617.00 4026500.00 1962598.00 2107438.00 3903684.00 2609539.00 3927766.00 3415513.00 2290457.00 1931008.00 3463533.00 3099005.00 3669103.00 5356512.00 3257401.00 4861194.00 4461454.00 4515684.00 4622576.00 3160236.00 3441847.00 3327033.00 2872864.00 2866567.00 2840603.00 3377051.00 3436364.00 3753552.00 2371126.00 2935681.00 3210903.00 2257729.00 2731631.00 5287684.00 Citrate 33038910.00 16776940.00 44824040.00 13247960.00 21962020.00 48779850.00 31370060.00 10177550.00 11258300.00 41810530.00 27996710.00 40532410.00 26521070.00 50564050.00 12959610.00 31008500.00 47969820.00 28833560.00 4803454.00 24488520.00 35039010.00 21607040.00 81872440.00 80914860.00 12985080.00 66114870.00 31374370.00 65992540.00 18433720.00 28941270.00 44428880.00 35354110.00 64849430.00 65310160.00 37169230.00 50030690.00 26088010.00 46360040.00 28426570.00 25007360.00 83515010.00 32812860.00 16455670.00 18964240.00 29463020.00 28432610.00 20999370.00 38061200.00 40239230.00 37116000.00 10578450.00 18822170.00 43899760.00 60423920.00 42603180.00 47408050.00 23834450.00 26675950.00 23371660.00 22236360.00 22320040.00 39756190.00 42958040.00 25127270.00 7437204.00 35028900.00 29331190.00 35776280.00 28216780.00 11987060.00 22196020.00 10890580.00 22693780.00 24339940.00 23754540.00 49544050.00 16226030.00 14114510.00 25230860.00 33251700.00 31510420.00 35691840.00 50949970.00 33440500.00 34469050.00 50241400.00 21887110.00 36336110.00 28501740.00 34070860.00 15639770.00 36605840.00 56783840.00 33409630.00 25090770.00 31676370.00 35015380.00 33611850.00 41722840.00 27075600.00 2-Oxoglutarate 1482013.00 1082140.00 1263150.00 1128080.00 816216.00 1376930.00 1785162.00 968083.00 1027115.00 248233.00 1425696.00 1042952.00 616676.40 1247192.00 1298990.00 1254115.00 1320982.00 1060567.00 1000734.00 1127940.00 963520.30 1233628.00 1640062.00 1198182.00 918206.20 1427614.00 1115955.00 913586.20 946471.80 1558181.00 1379183.00 1395709.00 1007532.00 1375680.00 1579140.00 772176.70 904953.80 1112448.00 1047656.00 1078118.00 1255982.00 982927.00 981814.70 863872.20 919969.70 1276278.00 1031174.00 1408834.00 1171404.00 1141654.00 846828.40 700845.30 1188779.00 1369834.00 1567693.00 1041226.00 237166.10 521184.80 996981.20 908742.30 1089167.00 1423680.00 638652.20 1342163.00 1177470.00 936068.80 1308851.00 983321.20 781130.00 1115799.00 982469.20 614990.20 904003.70 962155.80 761771.20 1121668.00 792553.70 874259.50 879830.70 1266735.00 1506894.00 1132398.00 1242110.00 1005571.00 951194.70 1149952.00 866510.00 831147.80 963632.20 1227256.00 892311.40 746401.30 601326.70 1194529.00 417431.70 953784.70 1151834.00 1429605.00 823222.30 757504.20 Succinate 701140.00 1313992.00 640467.80 1146790.00 1041016.00 410470.40 1175987.00 1007328.00 425295.00 432319.30 812067.80 821915.70 665975.00 756292.80 582632.60 1303488.00 572720.70 508387.50 1466520.00 352259.20 1321890.00 1190388.00 1068055.00 1370679.00 1459829.00 1769873.00 1267447.00 1165142.00 1167722.00 967319.80 1406894.00 1182755.00 1577226.00 642679.60 726367.30 1134339.00 1189172.00 1375119.00 1351301.00 1573040.00 1272615.00 1348811.00 1325511.00 1290637.00 1126042.00 983033.90 1530762.00 433093.20 1125457.00 1306946.00 1141506.00 856169.50 1157989.00 1619510.00 542549.20 1248594.00 498982.20 494183.20 1081866.00 1020508.00 939757.70 577125.90 891448.50 1208373.00 1426382.00 1052590.00 754728.70 1339818.00 615283.60 638138.90 699899.60 870318.60 1231247.00 1417519.00 1013884.00 741908.30 1415096.00 1209929.00 1190960.00 1352785.00 452717.90 485031.80 1200130.00 1278287.00 1192560.00 1007752.00 1235889.00 1263210.00 397663.40 1358240.00 1329715.00 1240436.00 790556.50 1379731.00 902576.30 1125502.00 733894.30 610976.30 1155546.00 1338584.00 Fumarate 266325.50 293088.00 231333.20 226228.30 390959.50 245027.10 281891.00 176153.40 199956.00 339582.30 229787.50 174018.10 230171.50 146394.30 226355.50 362621.00 238631.20 205956.60 216124.40 159520.60 278790.30 272828.50 567830.40 441822.80 215796.20 295582.50 0.00 590480.90 275538.00 288283.40 437499.40 241401.80 472359.80 188400.60 267651.90 294079.50 316788.80 392816.50 420541.30 282273.50 458790.00 455564.70 354201.90 414013.00 425872.60 197805.50 221724.50 248443.70 301788.20 328922.50 155690.40 232839.50 360324.20 516349.00 657162.00 432801.00 553898.20 77651.27 307018.80 266113.50 249076.40 406251.00 401591.50 270248.70 316622.50 272460.20 219181.70 345765.90 169726.30 169876.40 0.00 491816.20 371334.80 489155.60 305797.30 174988.60 178148.50 303857.10 386043.30 237786.80 244295.70 216578.80 318907.30 526240.80 351899.60 492626.60 450974.40 499555.40 239033.10 308598.30 288217.80 493644.60 549263.80 344036.80 532501.80 383639.10 232296.50 222965.50 288766.50 405800.50 Malate 125149.90 268212.60 349059.50 205037.40 84200.88 140645.90 239410.90 128301.20 100951.10 915199.00 101469.00 176269.40 151256.40 251299.80 95801.46 136991.40 198559.60 364678.00 196458.00 488963.80 206865.10 210840.00 201396.00 489287.80 136845.70 510376.20 158635.10 191463.10 107613.30 234401.10 199791.00 193482.00 206365.90 183903.20 215926.60 267419.20 126793.00 235288.70 85851.80 106897.30 211765.00 145972.80 106869.20 172842.20 159857.50 178699.20 135083.30 202539.00 108879.00 289587.10 88217.74 108743.70 148133.40 141234.90 167025.90 187824.50 102305.50 102185.40 73723.95 92163.12 111002.30 212857.90 154259.90 99097.91 58658.27 126909.40 100832.00 279129.20 195965.30 92506.34 107910.70 90610.09 125463.90 115395.40 126717.90 143907.70 110333.80 78663.26 83997.01 159573.70 126540.00 123086.10 144457.10 100939.00 124022.70 148731.90 80705.59 97377.52 99969.95 184228.80 82282.98 117263.40 197920.10 118542.50 92803.37 101378.20 308838.60 179886.40 139853.10 113103.00 Dehydroascorbate 6059574.00 4516954.00 7962354.00 3972084.00 3785155.00 7657194.00 9214543.00 5525096.00 7141918.00 1239689.00 8085956.00 6010072.00 2749142.00 5022734.00 3793077.00 5259310.00 7518246.00 6352030.00 4150047.00 7430178.00 4325326.00 6595830.00 4924958.00 5740288.00 3839369.00 7649752.00 5092888.00 4111460.00 3944947.00 7884626.00 5118214.00 7507898.00 4363242.00 7856514.00 8981921.00 3866929.00 3990796.00 4659186.00 4768734.00 5310502.00 6399374.00 3734169.00 4241394.00 3508020.00 3767655.00 6273586.00 4621728.00 8819200.00 6573934.00 5773040.00 4449526.00 3725274.00 3908499.00 6777690.00 2246830.00 4732826.00 924559.30 2935768.00 4482960.00 4769992.00 4011083.00 3433310.00 3005934.00 6421978.00 4747752.00 4278772.00 7764084.00 4374870.00 5125856.00 6469850.00 4933244.00 2407380.00 4067151.00 3857359.00 3895867.00 6506800.00 4399868.00 3369511.00 5360110.00 6175712.00 3286751.00 6801260.00 6414060.00 3815091.00 5608782.00 5708656.00 3286143.00 3455023.00 5563464.00 5041750.00 3784388.00 3069335.00 2867601.00 5695814.00 1953095.00 4355258.00 6894628.00 8431587.00 5118830.00 2999867.00 N-Acetylneuraminate 1425511.00 587580.20 535619.80 609336.20 1328720.00 827708.90 927461.20 690133.40 391253.30 285480.40 664005.10 879205.40 540624.60 830057.30 321443.80 917836.50 1026486.00 675125.20 974361.20 657936.60 1842228.00 1244954.00 601477.80 1140834.00 545688.00 540789.30 957369.90 864160.80 707927.10 1317925.00 839670.90 1199280.00 826272.00 593321.50 480363.10 828588.40 472571.40 766286.40 359949.80 629518.20 527310.90 480331.10 680692.10 554475.60 438703.40 1171810.00 500034.90 699308.70 785361.20 506130.20 806324.90 855226.30 1107714.00 1124740.00 580271.70 730727.00 768898.80 1154314.00 364387.70 543467.80 1161564.00 1285560.00 759070.80 847423.00 470492.00 989513.00 551214.70 768550.70 763999.20 581319.10 931638.40 686374.00 640626.50 611438.70 566166.20 334542.20 1020101.00 584896.40 634866.20 1642762.00 817944.40 1384994.00 670566.80 736045.20 632873.40 504892.80 510309.10 462823.10 718125.10 901677.20 714162.20 606387.80 598494.30 812995.90 378393.30 682455.00 1012483.00 568205.40 741041.20 958212.30 Homocarnosine 228089.30 304613.30 111259.90 211440.90 11864.50 40642.27 342576.00 215896.10 234766.80 213301.60 50985.14 298931.60 264497.10 40251.00 361909.10 194693.40 87651.91 193767.20 112001.80 204784.90 38721.07 97737.72 53852.44 172645.00 90207.99 65832.26 318348.50 69198.93 196648.20 134887.90 102310.80 43216.02 58972.21 120371.80 47224.33 97392.01 81602.01 93853.66 178474.70 23489.46 13797.87 53979.22 69915.34 241090.70 45017.18 94344.10 220668.50 132229.70 39735.50 223568.90 187348.60 220275.00 26867.25 0.00 113121.10 0.00 97107.62 57695.95 82306.41 170940.60 107820.40 292787.70 0.00 72335.79 117437.40 83607.62 147411.50 84894.29 107218.60 209091.90 113721.40 91142.48 81694.87 209090.50 103272.70 161807.00 143493.80 12658.20 170632.60 91813.50 98215.98 97432.20 149774.00 30677.15 102751.80 86246.91 77908.03 71599.12 227333.40 277951.10 140484.60 77338.72 73900.20 314377.00 35278.79 127815.90 370477.70 261459.80 73034.31 0.00 Glycerol 3-phosphate 179590.90 236697.00 225224.40 190667.80 140274.20 370460.80 157181.00 296199.50 206173.50 206895.10 269026.70 357536.90 277652.70 372413.50 112568.40 228066.40 221004.90 237105.80 131145.20 184427.90 165061.70 152715.50 211762.70 278813.80 237322.10 211315.80 235848.90 191957.50 181804.20 166419.20 241781.70 202577.00 259216.80 135744.90 264820.80 194871.90 205697.60 247249.20 256613.40 179033.30 181934.40 223669.00 198316.10 154064.00 172612.60 192658.10 181002.00 278858.10 198454.20 167994.50 292603.00 343931.80 334017.30 244085.10 258187.00 335393.50 228622.40 296863.60 274411.20 377993.80 207689.80 255229.70 197224.70 403879.30 184627.90 215958.50 206068.60 378604.20 329628.50 236802.20 188631.20 199351.00 271843.90 263969.70 256354.50 381309.00 252863.50 174640.40 261561.50 222664.70 361173.20 402888.00 372626.20 302492.80 191482.10 251722.70 272500.00 171581.00 550198.90 364431.90 134874.30 126444.10 387328.50 344973.50 213052.10 400783.20 700162.10 296229.30 334235.70 255877.40 Hexanoic acid 425771.60 427747.40 336012.20 467328.20 450639.20 432739.20 389388.50 326689.30 322008.50 443393.70 464973.50 395540.20 338439.00 328004.20 479620.30 417832.20 395861.90 340202.70 471353.30 384344.00 413332.00 484420.00 525742.60 463356.50 472329.30 475882.80 508288.80 495120.80 413194.20 396154.10 504712.10 416496.00 525754.70 330329.90 349374.80 422393.50 428191.10 965725.50 379847.90 373896.70 388326.80 433211.40 484751.00 428196.10 377575.00 419989.20 493451.70 296412.00 564989.50 466653.40 498195.60 333445.00 465157.50 495426.00 739467.10 531807.40 434141.40 323158.80 445962.70 495659.50 417776.90 456040.10 444291.30 500733.50 453356.20 897990.80 391367.30 526071.40 302992.70 333992.30 526442.40 468861.10 586759.10 426899.50 453196.10 354756.50 308947.40 465637.20 371008.90 498580.00 423919.30 376495.50 407873.90 440941.20 531669.10 376765.60 407296.40 397124.10 303560.80 458419.80 412924.70 428884.20 387411.10 417038.90 420248.00 425603.30 266861.20 328244.10 299502.00 427566.10 Heptanoic acid 562439.80 523952.70 471658.30 570900.80 523004.20 468497.10 409873.70 504999.80 478073.00 518900.00 608556.80 473004.60 509017.20 449808.50 606047.80 553749.90 532039.40 393612.30 495040.20 498171.60 499032.80 561608.20 606795.40 483047.80 715305.00 533785.60 605124.50 614787.40 539320.10 569021.20 587286.90 480063.10 489166.50 340337.90 487532.00 560317.90 636481.90 1451157.00 665374.70 609183.50 572893.60 696814.80 554571.10 535538.80 604496.70 544935.60 582597.90 479340.80 710638.80 533255.30 623676.30 391866.90 630473.40 598724.90 623495.80 539944.50 603145.40 504554.30 582241.90 684359.80 699956.70 531582.20 632286.10 421329.00 555014.90 1219740.00 505462.70 609269.70 427875.70 429348.10 660451.80 741901.80 840224.20 603354.40 587602.20 351311.80 534671.40 581807.70 615304.00 517939.30 516830.20 530311.80 521517.60 509714.70 576969.60 526470.40 576921.10 585089.10 385515.30 504043.60 543836.90 574055.10 502373.50 568611.60 612218.50 519039.50 423326.20 396353.50 315808.90 624079.10 Octanoic acid 3460768.00 3094732.00 2714254.00 3408315.00 3245900.00 2918637.00 2495335.00 2077371.00 2215451.00 2990511.00 4365608.00 3168713.00 3482426.00 2434745.00 3144364.00 2741301.00 2901891.00 2370562.00 3013885.00 3389054.00 3080514.00 3460726.00 3377005.00 3815987.00 4969424.00 4814806.00 3009367.00 4475998.00 3030312.00 3397082.00 3227300.00 2921250.00 3401153.00 2423492.00 2054372.00 187680700.00 3141756.00 13526100.00 3398008.00 3770366.00 2523989.00 3622560.00 5617862.00 3645881.00 3965573.00 2622698.00 4614934.00 2535148.00 4479870.00 3752912.00 2903877.00 1227972.00 4188099.00 3970013.00 4926068.00 3649620.00 3146247.00 2668429.00 3820557.00 4527756.00 4828380.00 3520652.00 4477262.00 3511322.00 4017741.00 12045600.00 2676967.00 3452875.00 2458122.00 2374479.00 4858650.00 4359158.00 9301128.00 3095027.00 4880786.00 1864069.00 1998834.00 3818940.00 3354089.00 20027030.00 16746740.00 18314790.00 18906740.00 19013670.00 20168510.00 22691740.00 27021350.00 23087410.00 16412010.00 20892750.00 19819900.00 22137570.00 23341780.00 27390490.00 21806390.00 15016360.00 13333350.00 13423780.00 9908477.00 15716770.00 Decanoic acid 7793032.00 9452865.00 11124260.00 8572964.00 13084360.00 11676620.00 7646044.00 11059280.00 9426025.00 11375660.00 12307600.00 10139430.00 5897698.00 9598499.00 8927489.00 10617440.00 11939560.00 8952622.00 10563480.00 11261520.00 8632144.00 9524569.00 14130250.00 13103590.00 13898660.00 13657720.00 12904800.00 11669220.00 12605760.00 12927910.00 13910780.00 11678840.00 16880900.00 8310554.00 7677252.00 7835632.00 9026151.00 16400940.00 11365580.00 11420830.00 7737594.00 8401373.00 13199020.00 9256965.00 12142680.00 10776180.00 16489800.00 10196350.00 17114110.00 16444110.00 11781660.00 10665270.00 12881730.00 10459800.00 9014475.00 11883070.00 11752490.00 13584760.00 12173080.00 19287010.00 15052090.00 15191820.00 8843860.00 12454790.00 13316850.00 23574730.00 11786080.00 18853120.00 11430400.00 10810850.00 13591290.00 15032780.00 15604430.00 6146542.00 10236640.00 6878814.00 15536310.00 19531660.00 13253210.00 12763180.00 17155480.00 13431720.00 11193940.00 8951405.00 12631220.00 11508440.00 7889726.00 14250020.00 14422250.00 11444890.00 12564720.00 10315050.00 8593721.00 11382210.00 9059608.00 16079130.00 9819955.00 9271017.00 9390784.00 10560710.00 Dodecanoic acid 3562046.00 4500921.00 3626439.00 4689856.00 3444823.00 3954997.00 4208332.00 3373809.00 4277362.00 4089259.00 4304232.00 3542465.00 3220526.00 3216047.00 4218396.00 3648226.00 4095943.00 5891334.00 3961383.00 3881513.00 3883982.00 4361180.00 4247076.00 3763156.00 3549013.00 4632470.00 2366049.00 4681952.00 3957586.00 8529608.00 3698295.00 3390391.00 3254263.00 4053920.00 3425679.00 3563927.00 3621502.00 5149232.00 4105702.00 4037164.00 3341205.00 4117505.00 3413755.00 3146624.00 5188970.00 4359026.00 5032130.00 3806157.00 4637126.00 3994897.00 4844986.00 2926977.00 3094924.00 3763778.00 4158640.00 3933027.00 4098781.00 3860978.00 4054143.00 4354860.00 4866570.00 3502900.00 3963187.00 3264239.00 3255856.00 4701280.00 4535224.00 5208612.00 3895803.00 3253589.00 4163340.00 3626598.00 4645512.00 3363003.00 3673800.00 5179265.00 3058348.00 2888626.00 4010729.00 5073550.00 4566688.00 3053717.00 3537737.00 3726689.00 3933030.00 4139279.00 4036543.00 3878873.00 2619720.00 3599882.00 3210785.00 4276642.00 3952075.00 4707690.00 4001204.00 4547680.00 3417781.00 3452333.00 3118227.00 3680493.00 Tetradecanoic acid 5171520.00 7970590.00 7142038.00 5957466.00 4793742.00 5468976.00 5334364.00 4123508.00 7247728.00 6951828.00 7537898.00 6157188.00 5342678.00 4942210.00 5272984.00 4882906.00 5524460.00 13938440.00 5279700.00 5401830.00 5277662.00 7820822.00 6723602.00 7004816.00 5057280.00 7333302.00 5819246.00 7242334.00 6129482.00 7505698.00 4904352.00 5875796.00 4689496.00 7755484.00 4514425.00 4592344.00 5125968.00 7053390.00 4831512.00 4648107.00 4359630.00 6611094.00 4790296.00 5696836.00 5972292.00 5360384.00 6323414.00 6282340.00 7428864.00 6650620.00 6975796.00 3463849.00 6216788.00 5847322.00 9608727.00 7228390.00 6327648.00 3861252.00 6712362.00 5322948.00 8974019.00 6770044.00 7104090.00 5832694.00 5272274.00 6946742.00 8383806.00 6169986.00 5771570.00 4988258.00 7113174.00 4660356.00 5561777.00 5192410.00 6092774.00 7000234.00 3107588.00 5935988.00 5589508.00 5706184.00 5781574.00 4803088.00 4935346.00 4499346.00 5072676.00 3820879.00 5226753.00 7342180.00 2979435.00 5875482.00 5469726.00 6005078.00 5796422.00 8801105.00 5642574.00 6153918.00 4212487.00 5573010.00 3934962.00 5664326.00 Octadecanoic acid 59731740.00 115094000.00 111496300.00 62005390.00 64473640.00 60789410.00 95665720.00 50090200.00 81917940.00 70955790.00 84609060.00 53902300.00 49327420.00 44090770.00 54117660.00 73759350.00 63396270.00 50329800.00 49008840.00 42648070.00 60348880.00 83961180.00 53292400.00 90685860.00 52124060.00 70352400.00 60858340.00 71517660.00 51576860.00 66062990.00 49771280.00 62920240.00 55510920.00 47395840.00 38596490.00 56710700.00 47497230.00 58514200.00 61181970.00 59165900.00 48003740.00 47593820.00 61126320.00 53774590.00 58890910.00 48635120.00 60463300.00 44802110.00 71310390.00 60462220.00 54668320.00 45524530.00 56955540.00 60694920.00 68133130.00 66831200.00 70326280.00 56967760.00 64139170.00 67791350.00 74291350.00 61801730.00 50489580.00 63830800.00 56078120.00 110359000.00 62732770.00 64376800.00 63335910.00 45110880.00 80445780.00 66633310.00 58124350.00 51214910.00 52758660.00 54212430.00 39318320.00 51179570.00 58067520.00 61888640.00 64218250.00 42481340.00 57820960.00 55461330.00 58149170.00 53309410.00 57291230.00 55091710.00 40082420.00 63724000.00 58379030.00 60718560.00 49515700.00 59049680.00 60865560.00 60483470.00 44013900.00 45048430.00 42914890.00 48676900.00 Tetradecenoic acid 65597.63 153042.50 111459.90 90371.23 89596.94 95159.03 119194.70 384289.20 209997.00 109079.90 159417.60 98784.80 134709.20 465649.50 244137.70 79827.30 186496.00 1621975.00 125738.80 164909.40 121755.90 136858.50 164020.20 188113.90 84931.29 128341.00 81451.90 150101.30 120788.90 301871.60 130231.10 80330.29 89115.63 110951.00 89461.49 106123.60 107810.10 152513.90 135133.30 75874.48 89767.91 152123.70 101383.10 166619.60 160328.80 127822.90 447888.80 108030.90 164722.00 107962.20 157104.80 143313.90 59655.08 90292.66 512758.30 130013.10 97146.02 89017.38 240123.60 90103.07 184586.00 137740.60 358383.10 106472.90 69590.66 189860.20 176782.90 100499.80 129620.40 77585.77 124650.20 80784.57 157371.90 152357.50 112556.40 119253.90 116903.90 81823.62 80978.43 92345.68 100751.00 76715.95 74218.12 77484.93 90286.97 86869.81 90758.48 73308.75 62297.20 133067.00 68668.53 96388.66 101352.90 509662.50 118012.50 96315.79 55439.72 93603.65 533535.70 55114.21 Hexadecenoic acid 499265.40 889187.20 660245.80 538693.80 518601.80 607508.90 704104.80 1194145.00 1842985.00 768841.60 858076.10 553193.30 580135.20 2956025.00 1416466.00 370210.50 1101510.00 10650210.00 826564.40 1471260.00 1080121.00 1245117.00 1235832.00 1617893.00 704471.80 845321.80 571631.10 782416.70 920317.20 1735175.00 960696.70 445987.80 486816.80 1012924.00 488609.00 1221014.00 765574.00 1152948.00 781510.90 631486.20 521507.80 1082787.00 835232.20 1033667.00 1340809.00 824269.90 2832546.00 1047441.00 1291036.00 1033909.00 1141137.00 800346.80 541621.60 606433.40 4559434.00 996205.80 1038404.00 451639.20 1402498.00 505656.80 1796552.00 1218797.00 3637416.00 542157.60 552905.30 1676777.00 1374925.00 857691.30 1950414.00 584066.70 682715.70 400005.70 842531.10 1177207.00 776613.30 747586.30 1155235.00 613671.10 487027.50 487762.90 479202.90 477292.10 514637.20 484153.00 492343.00 635710.80 619475.50 635381.90 463582.70 993734.30 606719.40 999434.30 864247.30 4233172.00 804739.70 751467.70 271513.10 538785.50 3452996.00 557990.00 Octadecenoic acid 3959084.00 10330530.00 8528482.00 2976658.00 3877173.00 3638231.00 7085338.00 3170939.00 9072785.00 5600588.00 5560055.00 3343795.00 3080771.00 7222306.00 5207714.00 3608042.00 3485452.00 14011180.00 3789520.00 4760758.00 4442756.00 8838177.00 6554988.00 9944143.00 2723491.00 5297032.00 3853250.00 5656626.00 5101562.00 7878056.00 3763559.00 3599923.00 3585564.00 11728660.00 2413993.00 5255630.00 4436467.00 5531752.00 5343772.00 3319762.00 3259763.00 6028436.00 4497192.00 3912687.00 4815366.00 4212082.00 5516262.00 4461916.00 5481660.00 4598906.00 6618968.00 3091277.00 4136612.00 2984206.00 8532129.00 5503466.00 3889895.00 2750356.00 5343646.00 3412651.00 11541960.00 5533516.00 6885290.00 4036305.00 3422179.00 8882365.00 5392784.00 4318570.00 6330048.00 3228586.00 4398636.00 2909057.00 4141304.00 5687878.00 3560373.00 5506973.00 2682436.00 3238010.00 2376943.00 3108439.00 3212366.00 2811501.00 2933971.00 2651062.00 2977212.00 2985240.00 3435675.00 3458302.00 1809824.00 3749685.00 3702561.00 3664345.00 4216180.00 9799265.00 4091719.00 4093616.00 1963986.00 2996801.00 4701468.00 3086397.00 Linoleic acid 408356.80 990967.70 1053936.00 554967.30 418913.20 520020.80 822565.30 454376.90 1190062.00 667098.10 804304.80 446779.20 711870.90 1413419.00 734141.20 330392.20 583333.70 2929426.00 455901.20 999558.50 766057.60 1474257.00 1013952.00 1343348.00 572134.20 819216.50 451109.80 1045314.00 1050329.00 1152832.00 578435.10 613799.90 544125.10 1587608.00 485075.40 951539.00 971645.50 639987.60 640166.40 596110.00 559383.00 808049.30 664512.80 691672.30 682210.70 915407.30 1295992.00 565684.80 875484.80 689429.80 1219624.00 571570.30 754476.40 337488.40 1027282.00 981858.50 787065.20 516899.80 1038998.00 405350.00 2055166.00 964953.00 1273199.00 616433.10 498190.50 1331375.00 1029831.00 804914.20 998900.70 414302.00 716235.40 466163.30 472927.60 1127963.00 489939.20 1030642.00 457415.80 512166.90 471083.30 604834.00 459955.80 498211.80 592850.80 578922.20 536894.40 423731.50 450733.00 1056948.00 315930.90 662156.90 617474.80 883980.70 578216.10 1368773.00 713903.80 670956.80 306861.50 371169.70 499788.60 488620.90 a-Linolenic acid 39314.84 36119.61 11396.74 24407.74 23466.05 26481.51 32199.06 48815.11 97169.85 42860.07 40402.51 55725.22 52589.90 239294.00 161549.90 29612.19 55419.54 536082.90 28927.76 159108.90 53400.28 85600.34 91684.31 75373.78 29453.00 55128.48 37397.86 62415.81 71583.99 111065.80 26321.77 43037.76 44684.54 103379.50 49456.12 70815.48 81058.59 54093.61 27337.40 26147.34 39078.04 69501.15 29737.64 52432.03 57261.83 52969.59 107154.20 60552.38 53980.72 92451.05 53358.14 42065.51 29416.58 28111.93 96496.91 91293.29 32609.97 15620.83 122511.20 28699.35 113544.50 62229.48 114605.60 39743.06 29620.05 67031.95 71192.38 57193.05 68256.98 31584.54 53406.50 20431.23 35178.57 119062.70 39351.28 54363.52 65772.94 34345.24 42255.25 34848.89 37432.86 31842.85 33160.05 43204.95 47113.14 21323.21 22229.37 41704.26 21906.47 19917.89 90957.24 90562.29 42676.91 176470.70 55146.51 23300.23 30767.87 26932.57 45827.96 30464.94 Arachidonic acid 127515.40 50971.39 87123.06 107553.60 93577.50 124601.90 70259.73 45244.06 120917.90 122996.30 184203.40 106956.30 121866.20 168551.50 109760.40 35573.07 73821.67 94204.62 81518.55 87743.23 134981.00 89990.70 238857.20 270359.20 91770.29 132854.70 124739.20 266886.80 193414.10 291484.50 157909.10 120687.60 102287.00 193471.80 73517.73 108265.70 126652.60 100201.40 107008.00 111703.20 227806.30 177399.50 101685.50 109193.60 96166.15 101997.40 117833.20 209840.10 148601.10 76562.66 128487.40 26726.19 176013.50 136602.40 198825.00 226376.10 231046.90 139409.00 169419.60 62757.32 84972.01 61457.09 284978.90 124466.20 128409.80 118167.70 130313.10 208704.00 75353.53 80898.09 110844.90 70003.23 102906.50 91815.22 85284.60 182791.00 63447.56 103235.80 124781.10 121637.50 267307.00 106517.60 178051.90 201938.60 154439.30 88660.73 52231.04 278586.10 69875.85 88393.72 137232.60 92903.98 62456.89 111976.50 126778.00 80562.76 104571.00 91894.12 76671.84 155107.10 Docosahexaenoic acid 185422.10 83437.59 212332.60 156190.60 149635.20 329591.70 166345.30 68633.41 293477.40 207128.10 404156.20 168552.00 204993.00 390052.20 182776.30 96146.81 128410.90 161921.30 129186.00 78986.46 217047.00 144821.10 373981.50 317567.90 199838.20 254083.30 212390.00 535890.70 367057.20 317921.50 238406.30 209849.90 211910.00 505427.00 88416.19 226625.70 206824.40 243236.60 213291.10 225275.80 689367.20 269923.00 191281.90 176954.90 183958.40 114420.50 105721.40 478524.90 198030.30 117008.80 176535.40 59336.80 286348.20 227214.50 266418.50 347373.30 314797.40 293064.80 338266.20 135703.60 148396.10 121655.20 419391.20 280905.20 385959.10 146902.10 195407.80 507006.20 67678.07 107277.00 113910.90 116883.10 192425.90 108999.30 161453.40 255845.70 45484.49 194298.90 152334.40 145024.00 546731.90 103860.30 307622.80 407913.30 275976.20 235146.50 69744.30 347628.80 69765.13 137035.00 220530.60 195357.20 91476.04 161202.60 129691.20 90827.44 85822.53 94789.91 200698.30 163102.80 Undecanoic acid 970133.20 1029506.00 909545.50 794809.70 912029.40 731921.20 838832.50 800312.70 951070.20 1041883.00 976572.10 844133.50 660789.10 728337.20 1032427.00 1011502.00 641640.80 929772.80 864844.20 896173.50 920970.80 994291.20 1069732.00 876390.40 856491.10 1082834.00 876931.10 701476.00 1071168.00 1077766.00 1019379.00 904256.00 688236.20 887113.00 862510.30 655969.20 854678.80 1054005.00 1003002.00 934962.20 848839.50 911011.30 916566.30 826959.10 991242.80 1098568.00 1025269.00 887834.80 825936.80 898807.20 998935.50 731360.50 811787.20 890386.20 825272.80 584987.30 857380.40 797170.20 1019786.00 1008648.00 1185417.00 829552.10 759046.80 1095191.00 565810.70 1230077.00 998172.70 835348.30 911689.10 851909.80 1017379.00 1012154.00 1069410.00 792824.70 859040.60 894066.60 752098.90 755119.40 1019138.00 1207392.00 1105720.00 893571.50 911705.60 919876.70 727444.50 980529.90 866289.80 1002071.00 789665.10 1020315.00 918836.80 873998.00 634118.90 1041750.00 797369.40 1109772.00 640971.20 854823.30 671151.70 876561.80 13(S)-HODE 56759.18 39615.57 46884.24 41596.38 46897.74 70153.59 59309.88 56462.36 87845.48 53659.14 55026.41 209695.50 302849.50 77621.43 55754.75 50199.37 44800.97 105182.40 38602.93 80510.08 68406.46 68059.08 52448.47 86095.20 62972.05 63641.14 33122.64 60090.20 55830.94 74891.52 31502.26 46163.09 41829.09 26260.16 49644.71 66288.15 72836.02 61300.25 39802.80 36146.25 39608.36 47596.50 60463.27 66373.16 71435.71 60465.97 70885.09 78914.66 62981.36 56844.89 86560.49 84159.03 42524.17 40882.79 49210.14 45856.02 55627.58 55908.80 50806.05 64355.45 100608.40 90804.01 81832.96 48531.14 40592.15 72691.20 83434.00 90542.23 69001.60 153526.00 63773.64 55017.90 38879.65 86254.17 67663.57 88890.70 113401.60 32116.28 49565.03 80925.24 76101.59 60395.52 43515.64 55968.99 80522.80 62425.16 25884.86 35013.79 42683.33 33157.29 19200.33 58108.69 60508.95 113840.00 44818.07 54582.56 69065.03 69680.76 85994.18 63387.57 Prostaglandin D2 141863.10 315611.20 171607.70 271498.30 347867.30 106211.40 268199.20 167286.80 428103.00 251775.70 189891.10 158378.10 205673.90 237121.80 172648.10 170175.60 222433.10 296107.70 263056.40 186863.90 205241.50 294443.70 254459.00 236068.80 196562.20 215417.30 268467.10 343458.30 404669.30 278877.70 562079.40 292824.90 229833.10 235270.10 124320.60 217946.20 183308.70 245637.20 286973.40 201710.60 149661.20 289744.10 213075.00 406929.30 454681.80 226251.30 199700.30 489898.30 231984.20 315421.50 318705.20 159714.40 291444.00 303609.90 360763.60 344061.10 198275.60 135685.60 309396.80 159347.00 318402.00 349684.30 272753.70 243507.20 204105.10 262688.20 218719.80 297495.30 182255.90 275219.20 199393.80 223980.10 330024.30 237033.60 191852.30 129937.60 132987.50 142947.50 157193.20 336792.90 130960.60 50491.59 199040.00 199749.00 251573.90 227976.40 240502.70 146842.70 63015.83 264050.20 168497.50 237306.40 218931.20 265527.30 179533.20 359366.00 124783.00 215566.50 121766.50 299668.90 Prostaglandin G2 207636.80 345873.70 137135.20 179515.90 240061.40 302169.80 275923.20 173059.40 433719.10 319084.60 199713.10 257099.90 153793.50 398337.90 227591.40 164712.50 200556.00 405676.00 163061.10 328655.30 190313.00 765019.80 640082.70 458084.40 195060.90 240237.20 182595.10 301916.50 371366.20 405477.20 384457.70 179543.00 203525.10 1168405.00 115941.90 565710.40 348672.20 193453.40 302117.00 233024.50 186591.10 335575.70 591774.80 304937.30 411698.50 370410.00 307113.40 410662.90 299591.50 725797.20 530810.30 339646.20 254008.50 186560.30 328617.40 602138.20 203732.90 184024.60 340910.70 329885.40 2681649.00 1066067.00 606490.40 211052.40 187323.20 406727.00 440853.00 373213.10 596552.40 205085.40 192836.80 201925.20 157107.80 659652.40 558888.80 949106.20 130323.40 263607.60 122317.80 218424.70 205442.50 135895.20 204229.90 143718.60 305284.60 205046.30 236111.20 199555.60 164759.30 349635.30 155566.80 545763.80 488262.10 257751.00 306877.20 228880.10 175747.50 251461.60 358111.40 218121.30 Catechin 206752.70 114178.10 76567.91 94617.85 205568.50 158681.60 98400.56 79572.84 47001.46 53366.61 85507.25 115464.30 107139.80 121049.70 54807.77 153449.00 150450.30 98785.85 147495.70 104272.20 261219.30 180496.30 128369.00 171113.90 83373.91 89715.66 127031.10 140973.10 73366.66 209499.00 135945.40 210515.90 170392.40 119901.40 119011.20 151145.20 104592.40 103872.70 96839.06 146165.30 101598.20 101988.90 122025.40 76916.02 105778.60 180295.10 81968.38 105219.50 116126.20 74641.15 83788.52 113337.10 206738.00 270015.50 125045.80 149464.00 114956.00 165855.80 64193.71 89623.85 229402.60 212294.90 184704.60 160879.20 84085.28 170256.50 63545.50 144743.40 123411.80 65261.06 101488.20 108344.90 134534.30 108643.10 81141.45 75164.60 188015.80 103106.90 89487.52 280168.00 114354.20 190628.30 134131.20 132050.40 147368.00 113886.80 105566.50 109929.90 125999.70 176300.30 131121.60 144095.90 85329.32 192045.20 69954.52 148474.30 193800.20 105782.50 138144.00 237679.80 Vanillate 173242.50 124435.70 167619.00 268490.30 150624.40 275344.80 186914.50 155125.40 182155.90 181079.80 370273.90 487893.20 324182.80 315700.30 165190.30 242141.80 221044.20 368014.80 158112.30 232363.10 161845.90 209431.10 138801.80 148822.60 232299.00 473145.80 159712.10 434365.90 209686.10 291520.60 258659.70 216585.20 131992.70 246668.90 175929.70 120495.00 133858.20 996043.00 95849.77 154945.70 141738.00 348977.50 274069.10 211638.60 214106.80 150724.40 137428.60 308875.80 135491.60 248089.70 143761.80 218215.30 440925.00 137281.60 99974.46 85380.41 216396.40 297611.80 173759.20 157059.80 537549.60 157199.40 168861.60 199669.50 95386.02 1246720.00 334217.00 157597.90 211874.10 226885.30 277828.60 433285.50 943127.80 159139.60 135355.60 333136.60 278810.40 166053.10 202186.20 269134.20 185342.80 196497.50 152050.50 252282.10 188308.00 181359.60 210244.70 154404.60 227432.60 158812.60 112816.40 181288.80 162746.10 152584.80 184518.30 297262.70 102251.00 203307.10 290331.90 115591.60 metabolite_name KEGG ID quantitated m/z medRt Adenosine C00212 266.0893 6.74E-01 Inosine C00294 267.0737 6.52E-01 5-Hydroxyisourate C11821 183.0153 6.50E-01 Urate C00366 167.0207 6.49E-01 D-Glucose C00031 179.0558 6.59E-01 D-Glucose-phosphate C02965 259.0234 6.79E-01 D-Glyceraldehyde 3-phosphate C00118 168.9889 1.72E+00 Phospho-D-glycerate C00631 184.9841 1.73E+00 Pyruvate C00022 87.00746 6.55E-01 Lactate C01432 89.02312 6.48E-01 Mannitol C00392 181.0715 6.60E-01 D-Ribose C00121 149.0449 6.67E-01 D-Rhamnose C01684 163.0606 6.75E-01 D-Arabitol C01904 151.0606 6.70E-01 Citrate C00158 191.0195 5.71E-01 2-Oxoglutarate C00026 145.0135 6.79E-01 Succinate C00042 117.0183 6.53E-01 Fumarate C00122 115.0026 6.55E-01 Malate C00149 133.0135 5.73E-01 Dehydroascorbate C05422 173.0087 0.678878 N-Acetylneuraminate C00270 308.0997 0.5904614 Homocarnosine C00884 239.1153 0.6767439 Glycerol 3-phosphate C00093 171.006 0.6123236 Hexanoic acid C01585 115.0753 1.737978 Heptanoic acid C17714 129.091 1.838532 Octanoic acid C06423 143.1069 1.939518 Decanoic acid C01571 171.1387 2.173421 Dodecanoic acid C02679 199.1701 2.402932 Tetradecanoic acid C06424 227.2018 2.659112 Octadecanoic acid C01530 283.2654 3.578439 Tetradecenoic acid C08322 225.1862 2.45583 Hexadecenoic acid C08362 253.2183 2.722483 Octadecenoic acid C00712 281.2497 3.075887 Linoleic acid C01595 279.2341 2.758712 a-Linolenic acid C06427 277.2184 2.553397 Arachidonic acid C00219 303.2342 2.662959 Docosahexaenoic acid C06429 327.2343 2.570787 Undecanoic acid C17715 185.1543 2.300466 13(S)-HODE C14762 295.2287 2.239413 Prostaglandin D2 C00696 351.2222 1.974811 Prostaglandin G2 C05956 367.2161 1.941074 Catechin C17590 289.0685 0.5503162 Vanillate C06672 167.0368 2.3163