Metabolite_name RefMet_name 32 1 17 164 28 30 50 16 171 37 40 45 53 66 69 203 205 4 58 6 76 10 13 162 167 168 173 175 178 180 20 200 208 23 34 42 43 47 56 63 71 74 78 81 84 88 9 108 119 140 156 114 111 102 185 91 146 94 125 128 130 132 136 143 149 150 154 159 182 183 189 192 196 99 QC1-2 QC1-3 QC1-4 QC1-5 QC1-6 QC1-7 QC1-8 Factors - Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:F | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:F | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:F | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:F | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:F | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:F | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA 13_14-Dihydro-15-keto Prostaglandin A2 13,14-Dihydro-15-keto-PGA2 1145154.2040 2690475.4270 249745.7723 363245.1102 393123.8059 204988.9933 2884799.1450 11971042.0800 389603.2186 194931.1546 229861.1071 235457.6197 7954964.4750 981615.7190 148739.1845 3027572.3430 315612.8141 4530943.9370 5243603.4440 3533057.4210 18282641.7000 4752251.2630 612277.1932 541275.1975 6100559.9100 259621.8547 5114303.1850 363694.5106 841434.7836 3491871.3180 385506.0618 525656.7073 14542255.3500 630528.3543 12766986.0600 461150.9345 547670.7685 2318226.2030 421001.2919 5172986.1900 366407.7635 480596.5523 562465.2039 3631960.1870 29821081.3500 10490256.8800 12892827.8800 2168126.7790 286648.9512 261813.3838 642841.2132 2582006.1740 1475263.3090 400882.8876 5179686.0170 714429.2989 383542.7121 2801350.6150 5445954.3280 207459.6508 439412.1362 3525532.7040 503078.5946 9591962.9660 213593.7212 726126.8437 904586.5091 607186.6479 1863118.5530 778845.6330 6798082.1100 3281867.9260 5468362.3020 257323.0308 2544737.9110 2576190.9090 2417455.5880 2809769.5340 2733660.2330 2526644.6030 2431482.6900 1_5-Anhydro-D-glucitol 1,5-Anhydrosorbitol 273455753 359660540.2000 82872030.9000 127650533.9000 253578673 453544055.4000 363387215.8000 189315495.1000 230472991.8000 60723730.7700 355035682.1000 225252069.4000 289353991.3000 146474498.5000 209557841.2000 700171194.4000 322419704.7000 356456243.4000 196662551.9000 211038136.1000 172185926 397985445.4000 181334046.5000 229092130.5000 329676627.4000 202374532.9000 196095487.7000 147486920.1000 173875415.5000 92711600.9500 225409221.4000 239978720.2000 80810983.8600 440272307.4000 354587955.3000 143758062.1000 196827028.5000 210671596.3000 172916121.1000 175400802.7000 127523173.9000 178704501.5000 325233553.5000 85164875.1100 421679802.8000 176724219.8000 558548230.9000 281467446 250466755.6000 324712339.1000 130041422.3000 274143231.8000 331470865.1000 401660781.1000 215647564.9000 120604293.9000 143643561.3000 204310287.2000 80269901.5300 217606104.9000 188949313 326838492.9000 490689901.6000 340768910.8000 188351521.6000 277629417.5000 144715142.7000 165928312.6000 184370108.8000 383032948.1000 169773687.8000 218966930.5000 184911821.1000 373662731.1000 233501897.6000 246777342.5000 233130418.7000 233453477.8000 240225346.2000 231376860.1000 239645985.5000 16-Hydroxyhexadecanoic acid Juniperic acid 205805523.7000 438892820.6000 1490512805 127628059.1000 546819597.7000 288756602.6000 394251651.5000 167071493.6000 41117113.0600 367556521.8000 739098564 227486081.9000 156600770.3000 111485534.2000 121573549.8000 272165586.6000 388355188.4000 435668888.6000 65153418.4800 674722638.9000 156317391.6000 552891887.5000 428452337.8000 159101133.7000 192536525.4000 88882325.6800 78038689.0400 522843500.8000 802941160.8000 121905203.7000 1000488240 78562610.6200 153565373.2000 321416044.3000 673951412.4000 613373243 198871647.6000 765140761.5000 150407253.6000 42655319.9700 359906246.3000 156235303.6000 195528271.8000 362435385.9000 190577936.9000 325621107.5000 70309965.5800 365578644.1000 593166630.1000 730958244.9000 313101331.5000 589214398 817107573.5000 104601318.3000 57848583.2700 394552774.1000 465057410.5000 323721378.2000 375717701.8000 260679594.3000 226834813.8000 423183675.5000 178574576.1000 170423336.7000 111512264.9000 688283447.9000 63122066.5100 92902657 271818211.9000 554633598.9000 454784428.7000 205347804.3000 157536944.8000 700769302 320295957.7000 330157984.1000 315185000.9000 344436907.9000 327853459.9000 320183082 320599339.7000 1_7-Dimethyluric acid 1,7-Dimethyluric acid 2279224.7120 7918636.1040 8576899.1870 7926446.2440 1699806.8910 3487642.7870 22360959.3900 17916924.4900 2138323.9190 7061793.6870 1620816.2680 2010245.6010 14424106.8200 1673342.6390 1454020.5400 10374918.3200 829298.4677 685801.5680 2005775.3690 16638460.3300 25778772.2600 12770489.8200 15319303.1200 4674546.6970 6156622.9390 399119.1829 13720308.4300 3215401.7940 9997747.4500 3355152.6240 76786158.9900 3736765.9380 32971048.0500 3973330.7470 19626975.6000 14459486.4100 7252265.8930 16678569.3500 3860813.5980 13839544.6700 7315854.8610 8420189.8940 9622661.2560 10296570.5300 18712754.4200 51888844.8300 12200833.7300 8167910.8600 491213.6756 5967968.8750 1282902.8150 19065689.4100 4437634.8320 7716542.7980 27801170.7200 3525796.4730 1332099.3940 7740700.6110 4332157.2160 5498551.7410 22616021.8200 2400587.2390 1828607.3220 7251149.9230 10762483.6000 11257205.9600 10409082.8200 1513971.4220 6778225.4650 11743046.0600 11508884.0200 17719433.9300 8484173.6340 9434790.9150 9098412.1760 8340235.6040 8040084.1220 8021615.4340 9385459.4210 8891556.6640 8239543.2070 1-Methylnicotinamide 1-Methyl nicotinamide 82699854.4000 6126066.8120 8180727.1990 67470548.2700 99327934.6100 10957914.9100 4448770.5240 3446562.6820 2688427.4730 9179362.5770 61509974.5500 8437078.6040 11591568.1000 8582805.9830 3533108.9960 14491606 6099677.2090 21263504.5100 4995245.2700 22571225.3300 5699517.9950 6272264.2120 124020088 4889136.4100 11502822.1300 11327014.9300 39920273.0800 7790305.7590 488259590.8000 350513971.2000 20362239.7400 29111381.9400 80622603.7400 27446380.0500 3017040.0580 12366482.3300 940372.0601 10573229.1800 3203524.8640 3480267.5200 5450479.9560 1318006.9100 43673373.7800 16752968.6100 4337483.3380 10365819.8900 12289687.7300 4137659.0490 19800025.5000 10773832.5100 2500503.2550 27414004.5400 12612093.9200 23416133.2700 156050097.4000 21523682.6600 10823715.8700 4692381.0900 6267797.9520 2766640.2390 6636306.3250 18056267.6600 8156814.6080 8918710.6230 3554076.1250 4249276.8280 9624549.7600 7373136.8150 38400016.4000 14601987.7400 11535199.6200 7096173.6420 11545744.4200 6409603.1080 25959858.2900 25195236.5000 27931698.4400 27104004.7800 26992845.8700 29484888.4700 22955091.8700 1-Nitrosopiperidine (NPIP) 123557649.2000 107972469.4000 92627575.3300 95378137.5500 89985567.6600 114721179.7000 99711517.1600 119751559.1000 73885283.6500 91620953.4500 76886856.0400 103465780.4000 124947775 38832266.2400 63874946.1500 79281654.1800 74422923.5100 98186574.8200 63635301.3600 118644215.8000 85637283.9000 137245466.8000 86874549.1200 154162670.2000 67357396.4900 69509420.1900 61635276.7300 65683414.6400 54189835.4900 130153311.2000 64550177.2600 88694360.6000 101247155.7000 129720022.2000 98617348.0600 127015108.5000 157311010.5000 128976015.7000 76189466.3600 82942754.1800 90092408.0100 82642988.4600 168021310 130603033.4000 125243536.2000 88378544.0800 101980939 128718059.6000 95152737.7000 108687886.7000 69767013.5800 128249009.4000 138066854.3000 106568056 94835365.4400 95838742.1700 58890357.5700 98324069.9100 109008985.6000 100348992.7000 105782931.6000 146813382.8000 114650779.4000 92840663.2300 91793183.6600 92656074.1500 90589468.1500 85435566.7500 126656217.9000 140008196.5000 108837951.5000 93552059.4600 121739739.9000 118344890.9000 92524450.1800 81205550.6900 106636297.3000 100665930.4000 96390329.2400 91663844.0900 89588799.5900 (1^S_2^S)-3^_11^-dihydroxy-1^_2^_5^-trimethyl-8^-oxaspiro[oxirane-2_12^-tricyclo[7.2.1.0Â?_â·]dodecan]-5^-en-4^-one 98378566.4900 78508544.8200 70143361.4600 76546653.8300 101255461.8000 197981011.6000 96442098.3800 54797505.3500 54761293.6300 41357317.6000 87562573.1300 101269415.3000 121921497.3000 73722301.8700 55738345.1300 162919720 17239749.3400 125143289.3000 128816236.5000 71109074.2400 99509881.9100 54117148.2000 70968714.2800 38884241.8800 50718451.0600 43771503.6900 39220676.1800 53630852.9600 74870654.1400 92369153.2700 120759427.3000 34317525.4900 120294703.2000 106327257.5000 69567533.8700 43701131.0300 64507562.7500 54283569.2400 50970450.0900 41408518.4100 65794310.1100 75604255.8400 147222930.7000 39193846.1600 72647645.4200 90944922.9800 109243647.4000 121444187.4000 83442544.7900 148019996 56663796.5700 119641958.9000 118278710.8000 63408482.9700 52846589.6500 18785918.8900 75643733.6300 81157674.8400 104709406.1000 132972432.7000 105439613.7000 72265221.2500 97823162.3600 143640857.4000 126121884.8000 76317062.3600 51363564.8000 38520582.5100 49529321.2500 91473502.0600 47913313.4400 43379743.9700 22113553.1800 59258957.9100 56507679.1900 51212081.7400 55859820.4400 56731357.1100 49779716.2800 54695136.6100 55597827.7700 2_2-Dimethylsuccinic acid 2,2-Dimethylsuccinic acid 1407375.9330 527338.9512 484559.3907 375225.3496 442250.9366 1163222.0750 717872.4854 995374.6800 4483466.0590 848523.4944 469829.1891 1030289.2570 1751838.8220 4341191.0480 2895091.0300 1159628.7680 1798644.0650 801509.7086 8949078.2100 379517.7605 459766.4130 346082.5372 437312.7759 1136098.5430 1213788.5280 10794033.2000 5587616.0730 6988048.5250 6141768.7120 538812.2781 373741.9312 1763016.7250 1273985.4640 426428.0265 1270931.9830 472180.7026 1028243.5110 400897.6910 6434627.6600 4772557.1740 6707831.3700 1378813.7620 486361.1198 918048.1149 863270.8577 1445228.9650 323255.6745 694398.7741 644907.9953 2044881.1950 2374937.1060 421044.5397 823002.3355 930550.1237 2464877.8860 1261015.4050 3900280.9270 708591.9187 489370.5344 712901.3817 1799669.9050 912398.5164 428711.0114 2043779.3100 2284491.0450 1207856.2330 6595645.0700 1587556.4070 814344.9516 2276785.3450 1387005.9410 2084637.3620 1764182.0120 525156.3575 1106881.6940 2000406.8230 1138383.3290 1851445.5630 3022239.4330 1780173.1430 868294.1221 2_4-Dihydroxybenzoic acid 27577340.7500 7062372.9290 8582440.9200 13652898.2100 4669230.0210 4762451.1430 4637006.3970 11499164.7600 4382026.4790 1356390.4390 4463105.0950 4906093.2520 3789186.7530 3103044.6500 6206418.1180 1870142.1360 1329868.2040 4858016.1170 6557204.1850 8448420.7230 5354287.7200 25917857.1500 13260181.8300 4075894.8430 2557358.5840 4677527.8730 12551457.0100 2639938.6020 3367636.9310 15142927.3700 2289659.0860 9313852.0610 34627367.0500 6207424.2200 11523592.2100 28895510.0600 3133982.2570 4319668.5610 4566847.8870 14493911.5600 4667283.5220 3064822.6900 11174282.3300 3803341.7520 11184060.8500 7342812.7710 13302331.1700 5672848.9100 12318171.1500 3578312.0940 4299181.5620 17706228.7500 5285249.1520 10359975.3000 13538523.7600 15547549.8700 5099047.5080 10987297.5000 11881874.7100 3955901.1210 7050320.6010 6647468.4520 3640355.2670 2514303.4910 3255993.7570 11788476.7500 8156464.7650 10147747.6000 9792807.7110 11941642 28522483.1400 15197039.6000 13497059.5800 18063274.2900 9237692.9200 6917391.3350 8701810.8730 8876697.4970 8726816.5380 8757355.7010 7957520.6990 2-Furoylglycine 2-Furoylglycine 850150.1492 4641317.5890 223534.4172 3144097.3980 169810.5527 223270.6259 8109745.3510 16460199.8600 6360833.0010 370464.0083 245480.5940 277400.4321 17766129.4200 670606.0910 647266.2382 6792249.4080 394266.4893 228622.4901 82305809.2800 2064768.6030 3012295.7230 981831.8739 301519.8191 462852.0316 24470810.7300 553539.0272 1286036.1200 198237.1903 338563.4581 2660768.5700 220526.0294 233487.3535 28661345.5000 177988.7163 18543261.8500 293785.0430 243720.0351 149860.4695 1254541.9370 4961878.1910 320648.4475 148197.0996 1011308.6720 9397658.9160 3595346.5410 120519358.9000 40141378.3500 463634.6084 599645.6723 134748.1811 533154.2111 1170848.6920 346914.5465 681526.5975 6881443.5950 615248.8461 408712.2322 1852023.5910 192786.1157 1276016.4410 1366607.2850 324933.3047 365009.9998 2549698.6400 1299462.4410 225010.6006 530053.0706 1190336.6370 1102566.1540 204698.5092 3090993.3590 431674.8689 24804000.6000 202018.8894 5337335.2850 4941681.8120 5162351.5050 5203219.6330 5374274.8820 4889173.1250 5270052.7030 2-Hydroxy-3-methylbutyric acid 2-Hydroxy-3-methylbutyric acid 102120091.6000 77496376.2200 262904789.3000 36423276.4100 53390894.5700 158605068.8000 84114227.0600 81326344.4000 123146383.1000 169172547.9000 165228281.7000 336448501.2000 469320424.4000 84133611.3200 62674251.5500 130700737.3000 181965427.4000 86169341.7400 43417404.2500 115568847.9000 113232797.2000 96229704.5500 66968874.6400 59814101.3100 28566116.9800 57187598.8700 61874674.6900 220856799.3000 47815893.0500 151230275.9000 88040643.3300 69786729.6500 106862833.3000 94974980.9300 182731933.6000 140902215.5000 229338870.4000 5806346.7490 49123746.7500 31099579.5100 70126761.7500 46884923.7400 66368090.2800 127686234.6000 52386507.8600 90460210.5700 88530872.7800 67260944.5200 1550831299 132624414.7000 165603421.7000 82425327.0900 75786428.6000 39458856.6900 96161130.0600 110498848.2000 86984846.4900 65216725.1500 79187195.5300 80837153.6000 50485742.9800 72970258.7800 137791362.6000 125651041.6000 65911835.7600 649824886.7000 60687877.9100 176950115.3000 78924468.5900 108024062.2000 77517222.8600 129832883.2000 102663316 115668985.9000 120437058.3000 162067956.6000 131821932.5000 127398109.7000 132675989.3000 136680648.7000 135874963 2-Hydroxy-3-methylbutyric acid_2 2-Hydroxy-3-methylbutyric acid 23143126.4900 14066308.8900 61949605.5400 17972196.6200 16509161.3700 23744955.7900 12828940.8800 26609454.4100 38324389.2800 86720577.4800 35904811.3200 64112326.3400 172146468 10237689.7700 14611979.5500 34563143.1100 32457467.8900 19081841.0400 13537330.9200 18723920.8300 25636609.7500 46927422.2800 14538486.2300 14922557.9300 17114626.3900 14598701.2000 31305763.6900 46368785.2700 13966524.4900 32971351.1600 21699766.2500 16249510.3700 33748375.9200 28720068.6500 41031573.5200 25058456.3300 26228688.7500 12277372.4800 13508590.9800 6147266.2130 14653012.7500 9523357.6930 12630727.2600 22042510.3400 15968044.9800 31758400.4800 26334321.3300 11180124.0200 302856407.1000 30085001.0800 27542032.6700 23347441.2900 15522110.0400 13919270.3300 24687719.5400 17985453.3300 39851944.5500 20811177.1800 12274625.3000 17142490.3000 11139201.2000 19151968.9400 28909791.9100 25568995.7000 16685421.5100 124217565.1000 14026447.1000 37489541.7400 24918728.9000 34887885.6400 17783750.3000 23884882.7300 27059744.1200 30670404.8600 22474077.4400 36577259.7800 27982279.6500 26609616.4900 26739553.7700 25711972.0400 29834896.9800 2-Hydroxycinnamic acid trans-o-Coumaric acid 2595146061 2065132010 1835548001 1927774705 1280397489 2366466366 1803522050 2147206817 1109251562 1918230240 1259462859 3127634740 1796253274 764860774.4000 1416854149 1721527699 2014204211 2182573244 1553986118 1457322823 1917945863 1836890888 1610440749 1294652299 1370076451 1016097198 1649211614 1285746018 949516085 2651824919 1952536104 1958113570 2123562094 2097645239 1947246748 2123393061 2454512033 1407999432 1550017194 1400534294 1486091358 980870332.5000 2050666711 2435414150 2024402909 1985741264 2899416525 2031409451 1357319870 2182895305 1608364162 1397505611 2415514747 2416815225 2030138733 963734025.6000 1385186869 1879796896 1177592438 2416807459 2576947269 1439046472 2034237796 1597076795 1357038817 1580186306 1101066625 1471325310 2145326299 2301551253 1418587266 1443929351 1477108664 1370323376 1680814914 1670088881 1789295176 1647072467 1467138898 1743125135 1728900163 (2R)-2_3-Dihydroxypropanoic acid Glyceric acid 51107752.0500 13775555.1000 187213.0094 472157.7160 1879710.7390 57118665.1400 74963573.5700 46429662.5000 1005642.9540 27050213.9600 29214502.3600 22806255.4200 91283631.4700 1227034.4710 387972.1372 20936150.5400 11393670.8000 28760203.7800 4946301.8380 1090288.4070 114018428.3000 1094669.3460 1007302.1440 29076234.2100 85757208.0500 732917.2732 1143238.1520 1123123.5580 542879.7259 130228219.4000 1491253.3590 30691380.3000 42632149.0600 48283412.9000 998293.0057 18282049.8400 4700005.2890 32079369.6900 1129707.4630 499191.2619 4249199.5510 1212860.1890 17556307.8100 738256.5560 1692966.8620 37089197.8100 16238937.0200 77192031.7000 107583584.4000 14731469.1900 993191.5740 468833.9233 107605585.5000 53141219.6100 4896016.4770 35537666.5700 3210342.6270 55026007.2300 826656.2245 68279087.6000 84949763.1200 29402985.7300 2878212.2810 39304844.6400 655260.1295 23457051.4600 1884591.3650 488896.6173 489387.1384 12746717.6600 377588.0470 4300929.0780 1134946.1160 612035.6455 30740496.4700 25540121.1200 25769112.4700 28586671.1200 29561205.1200 27448322.1400 28047519.1400 3-Furoic acid 3-Furoic acid 94484590.6400 67162669.2100 53672665.6600 37300591.8600 78754282.1800 80634351.8800 88311880.0300 66177090.3200 2290212739 80719923.2100 102490946.1000 95577090.5900 94799070.2300 2331317733 2497004668 68015554.3000 64614349.2400 69655772.6700 2412898828 56426000.1500 95529688.1600 38103338.9700 52030944.8700 98276441.9100 40277666.7000 2224940808 1844108210 2110816495 2216256328 70836703.7500 43407815.1200 76709422.4900 80042794.4000 87184510.9800 54390654.0500 70308629.4700 73683721.9000 63212605.8300 2208869336 2357606261 2149302028 2047631891 72958374.2100 50476825.5700 71126956.4200 81958976.3000 51848969.0500 78838903.5200 75238074.8000 84544910.4900 2210787302 53787105.6200 96844988.9800 65910341.5700 57879143.1900 65321340.8700 2653909666 59567719.0600 52540650.7500 80171129.6000 66930147.5400 80632368.1600 67283488.0900 53777339.4000 2179920391 78649322.9800 2538486194 42750308.5000 34505114.6600 54276520.1900 26088082.9300 47876845.3000 70291102.3500 36031428.8100 944331074.3000 906601873.3000 1063471951 977823117.4000 913531284.3000 1003465924 926803205.6000 3-Hydroxyanthranilic acid 3-Hydroxyanthranilic acid 25131962.5900 4520701.3220 2373728.3120 130491018.3000 51664320.3700 7310594.3600 6040784.5950 20636978.4500 3201978.5640 5118213.7010 17784732.0600 5692040.4060 3697032.5590 8013313.8460 6150715.2760 7762659.9410 6643302.5290 8387252.8910 3381151.4110 6431075.3710 8507956.1370 3413188.4810 59404367.6900 5494276.2120 10187564.1600 4494008.4980 6663363.4780 4673955.1810 180481664.4000 23614462.3500 8802373.5040 9857351.3920 15839504.3900 10090467.3800 4030450.4160 14699581.9700 3372349.7930 5747245.6240 2836629.9650 4081921.2890 3974610.0810 3737345.0280 16178670.1000 7513401.7240 6017634.7690 10107286.7700 7495533.5930 4600655.0480 5825744.3280 9373080.3100 5525140.4790 10599749.5200 8306947.8890 15498167.3400 107854960.8000 36651443.1100 3925974.1230 3680686.3150 7723883.5630 4361066.9000 14524079.4400 4986540.3920 6560524.9700 9952908.2850 3738969.4230 3529573.7220 1881169.8380 4420577.7430 8229683.3480 6669437.5800 8989054.3690 4531015.7800 6490985.7540 7559224.1890 12061091.9800 13252951.7900 12615668.7300 12304384.3300 10527807.2900 10905999.1400 14189339.0600 3-Hydroxybutyric acid 3-Hydroxybutyric acid 57399166.6100 220787476.1000 118532017.6000 80609806.3200 348938409.1000 250337557.4000 90073129.9400 111505508.1000 28954163.9700 827227246.1000 348643763.5000 246205657.2000 94319244.2200 29862989.1600 81317054.1900 168752128.5000 101340275.2000 106357244.9000 49130677.3900 125367766.4000 64603560.3900 551943623.4000 211128586.5000 89786017.3300 44045769.7200 26953846 64013517.2400 543562585.9000 497321338.7000 162792589.9000 607643539.7000 57200085.5300 90205911.1500 113574106.1000 355470117.7000 156465617.4000 310236196.4000 2237213329 55514514.8700 56240489.4800 100248083.9000 53637359.9300 120725870 144183168.6000 141649090.9000 95145568.7400 91299471.8000 130920376.5000 2974927177 563028662.3000 313769551.6000 103780334.8000 118757314.2000 91757002.9600 84802506.9100 256216434.5000 156919690.5000 133896114.2000 183116675.8000 120739608.7000 152380307.5000 430925832.3000 115828354.2000 52200432.8100 46010421.7300 332195248.2000 35385989.7500 50668995.5300 167583762 406744820.4000 62543207.2400 110398582.7000 95883490.9300 106684995.9000 212473057.4000 221380057.8000 198357009.9000 232567427.3000 203700606.3000 222559383.6000 208508971.4000 3-Indoxyl sulphate Indoxyl sulfate 202953608 257338235.3000 109955571.4000 523003271.8000 109017757.7000 113049502.4000 220154810.8000 341023511.4000 244429976.1000 89379181.2700 545267842.5000 134053109.4000 147802852.5000 146877012.9000 129539240.4000 256208264.9000 254144843.4000 45617311.7700 89728779.7200 198471508.1000 374478079.8000 220804497.2000 162250642.1000 104268916.8000 280163245.3000 165286039.9000 354967616.1000 176471233.9000 253719643 189029441.6000 158203521.2000 521906918.7000 428526812.4000 223060409.2000 66875195.9700 608876270.5000 527960243.8000 99766711.7300 413829376 362985941 418920756.2000 100676556.1000 100321282.6000 391893476.3000 613224741.9000 462312330.6000 142015507.9000 392528117 6255881.6380 121799011.3000 201510031.7000 96745093.2000 175113138.3000 197506080.6000 446095755.9000 453237637.8000 93731631.1100 320885925.4000 353499200 70530653.7800 164688266.2000 420837052.9000 135453132.5000 394933071.8000 286193363.5000 120249826.9000 175904955.3000 281183530 293645284 144065232.2000 335469247.1000 174134220.3000 463120973.2000 162366875.1000 241940082.5000 219310668.5000 238255055.4000 253831023.5000 226195298.1000 230896168.4000 236616786.1000 3-Methoxyphenylacetic acid 1302800.7270 1724116.6280 644032.7794 2541256.7190 483347.8293 402675.9796 4241768.8670 1865604.7660 3447422.2500 406717.0201 1116056.8950 392880.6905 3926400.8050 980169.2283 1524175.4660 1806452.4890 3530144.8830 3503632.9970 4647636.1740 19815695.6200 459038.6887 22684311.2900 1002816.5220 446855.0072 1941033.9390 1946410.9660 1847508.6800 1713233.8100 1659048.4220 26338181.2300 3071276.4360 2577776.3020 26236139.6000 6443621.8350 11003925.8100 642963.2566 503775.3233 273767.2734 2817265.0920 9116467.1070 3263274.1720 1277586.1950 555383.4301 434892.3071 23643492.8700 1352337.4580 491461.2697 4214221.1070 621060.8631 581187.4707 1675893.7520 6795296.7760 2100754.7660 1656515.0590 11548825.5000 440595.7176 1663956.4750 3170015.0970 594076.5537 776904.2932 903670.6775 9712200.3260 1279417.4940 445780.2350 1630895.9070 637793.5859 3377449.9130 1348823.2490 3990235.0330 2042102.6400 5687044.6240 832562.4572 1735855.6500 3397928.6420 2626788.8940 2778803.5030 3598435.2020 3637895.6840 3340349.9390 2222755.2440 3142641.2340 3-Methylcrotonylglycine 3-Methylcrotonylglycine 29986078.0400 20272421.1700 21337457.2200 167919915 27217219.5200 24092449.1900 25788434.3000 30901494.6900 26723714.0700 22857215.3500 27051692.2600 21264949.7600 34196207.6700 17818925.8700 42294326.3900 29838843.8100 47267694.1400 25288536.3700 23560938.8100 20771333.5100 28097904.7100 16375413.9000 16524078.4300 34603205.8000 26202607.2400 20003381.3400 16513417.2700 23314594.5400 23193989.4400 22699249.0200 22436813.5600 29103328.0300 30768850.9600 20143438.4400 18863236.9100 39900495.0700 24853646.7100 15523763.8700 197409272.3000 20210567.3100 32539499.2600 18477900.4200 24545246.2100 17583703.3400 19416562.2900 31127110.5400 24533012.1100 27427320.3600 24361022.9100 21575252.0700 22222321.1100 22954282.4600 30729944.3400 23896585.0500 23307638.6400 27681316.5600 23326075.6400 25542818.9400 22499806.1400 20435696.4600 25791069.3700 29089718.0500 28566418.4300 15607748.5300 29272028.8800 22261857.4300 25722764.2400 19656511.6000 40395459.3900 22329967 13851147.8900 74521264.7600 15591116.0700 23564092.1600 25972197.5200 24857727.8300 24073249.2700 26937153.0100 28069569.3100 24967620.2000 24403113.3000 3-Methylhistidine 3-Methylhistidine 764732785.1000 150166810.5000 60917091.6500 1032834206 8105727.8990 740899480.2000 595569396.4000 1469468657 301929132.1000 488870594 940293758.9000 467560175.6000 485874104.6000 1192094377 966570677.9000 733613025.5000 235870499.4000 549141470.7000 137387054.3000 1008727338 756382144.1000 454082189.9000 111217666.8000 139926428.8000 179984918.1000 1049367584 18704097.7400 1210190380 22765139.5400 2367378290 1084485342 42314305.2400 930116679.4000 1712144072 931908221.9000 697155269.2000 836808095.1000 20892403.7000 19735007.7400 1065696663 2016518823 156873469.5000 543509240.9000 4741358684 1285661448 2054370952 1128593700 133595431.5000 19177836.6900 288107465.6000 981914268 113898936 124334078.4000 263217100.5000 318650833.9000 2209360889 318448057 448155968.7000 1781109476 912359144.6000 1003513157 1064415337 880661305.9000 685399201.8000 313000677.1000 196640266.8000 1294163910 359401265.9000 288025955.2000 230206574.1000 921690821.7000 1542970180 1824545299 568760376.1000 910993513.5000 789351090.1000 865817062.9000 764463576.5000 842719551.2000 846109565.9000 876894618.1000 3-methylphenylacetic acid 3-Methylphenylacetic acid 3349449.8080 6314736.3210 1806089.6320 4881180.2480 2169099.9380 2740381.2580 1640576.3050 2620984.5820 2091426.6270 2859706.8130 3854861.6590 17325971.4400 14276198.9500 4686295.7920 3291195.4850 2920088.6380 3117621.6370 7156100.3410 2981012.1230 7857179.0080 9624724.2340 10312745.7900 1751391.2250 10787832.3000 11269970.2400 6211648.0880 1982338.6370 3265368.9080 3184788.5380 4205077.7470 1973196.6310 1688154.1510 2268960.3800 25724799.9500 5595175.3600 3276929.9800 1692638.6040 2888320.3610 3109307.0960 1688691.1770 9912640.3550 5028405.8400 11119757.4200 7685248.6420 17987954.0400 7439289.9830 7484264.5550 3391701.4100 9079267.9840 1727204.1880 4550797.9740 3241087.1320 2730428.1680 6309088.5610 3773586.5410 3603093.6390 4548069.3830 16688295.2800 17737528.6000 1458714.8710 2063255.1550 1911280.9270 1324256.7030 10608851.0400 3096443.3530 3953856.0890 5781880.1650 3371894.9610 6244688.9180 7389098.4160 47105339.2500 7222642.9920 12969165.5800 7481117.5610 6016663.1280 5979080.4880 5466739.5440 6196567.2560 6133298.0730 6439823.0780 5446314.7850 3-Phosphoglyceric acid 3-Phosphoglyceric acid 6257862.4140 6109361.9480 456598.3535 257041.3659 421588.6836 5222232.1690 5748523.3940 1664143.9470 607468.7884 3744769.0790 6640426.6940 3709345.0310 6013040.9770 391321.7607 688967.6109 5914459.7420 795807.5340 1322977.4880 586966.1534 346708.4858 3506033.3080 310121.0072 351906.0643 1925301.7970 3904363.5910 1441564.9790 437281.4989 679547.3630 441767.3721 1826118.8370 391806.1463 2230248.4590 5210176.9190 5151744.1370 400540.3243 4667891.9420 5340143.5480 4987740.0090 747803.4229 710736.7297 1088491.6870 668593.9081 11434328.8400 1820043.4610 4052749.3890 5805870.3720 3467013.5650 5597481.0300 5210484.1630 3607367.3570 470566.4667 329928.7748 5770482.2500 2657197.3080 4283484.0510 8851644.1570 414754.6037 9129715.0700 324641.4035 5158290.2340 4704937.1390 1727163.4330 308432.7024 4513094.0310 597431.1474 4298980.6620 590666.3466 288870.4532 270080.2397 1344261.6110 190302.2864 285613.6016 411421.7147 293280.5056 2150563.0820 1642577.4100 2880648.2200 2619389.0380 2465869.7450 2525179.9310 2052036.0440 3-Pyridinol 3-Hydroxypyridine 6596750.2760 3922817.1280 400185.9246 476804.3006 2632223.3480 697026.4850 2006671.7470 5169950.8640 403573.6940 823435.7057 574225.4066 2503784.8720 3395076.3420 432721.1226 879753.7724 523335.7305 471051.4183 825489.2747 35054179.3200 9956642.3540 3465483.8960 2417805.0230 1137037.7510 499371.3807 1424026.7690 1140832.4660 1531879.9400 993163.3226 1766590.3520 941635.1643 647774.0746 448895.0329 5980707.8970 983671.1730 5790545.8480 414594.4576 846457.1292 1483784.5960 757815.8025 1010829.6570 367394.5968 1619348.0560 727843.5449 2226574.8310 6929508.3390 40078217.5600 13392831.1100 4598497.4960 2904267.7580 540554.3421 2057255.8740 34843549.2600 2017529.6700 1214670.7600 12795269.8800 1580070.7030 456457.4893 498330.3281 4500181.2700 508113.1332 545907.0404 2382929.5880 468913.9061 1703702.3050 874457.7569 450147.4277 2399913.6410 1629330.4600 3372500.6140 1775953.6140 3447251.2760 5495129.4020 1572681.0370 1262260.5150 3052944.7970 2142724.7860 1879665.2410 2491540.7370 1682737.6400 2201669.8490 2997276.7320 4-Hydroxybenzaldehyde 4-Hydroxybenzaldehyde 147175290.5000 124664293.9000 93878735.5700 121287461.7000 81561170.2900 126804827.1000 93897963.9700 134225790.8000 65984204.7500 93158194.5400 77502158.5300 211244063.4000 90027454.4500 45340752.7700 78888714.9200 80944227.5400 101811346.5000 115337322.9000 85627802.7800 96528447.6300 81508071.1000 120110710.3000 95037073.5200 71964884.5500 72898748.3300 56157727.1600 85244192.1100 58777451.1700 57016761.2300 170467871.1000 100907535.7000 103952745.7000 114665467.6000 113608500.5000 114731181.7000 134063988.7000 151586024.9000 67524785.3600 76168594.7800 85229673.9800 67209513.8100 54890302.1600 119482971.5000 163328651.5000 120751228.1000 115102537.1000 188975672.9000 84208865.0300 63287591.3500 126183967.5000 84333785.0700 75351316.6300 131112582.7000 143163676.9000 112338527.5000 53681915.4800 75803255.6700 95352879.1300 71496090.0200 129238606.2000 152642129.9000 72531558.8800 113684652.6000 74889676.4800 76837938.9800 75764392.7000 61983574.1200 74111706.9200 118408023.1000 123299914.5000 81397283.4400 90526147.2900 81862631.5200 87733825.8900 100124312.2000 95422391.4400 100354802.5000 92998248.4100 107883852.7000 92582911.2900 98896051.2500 4-Hydroxybutyric acid (GHB) 3775092.6960 3633337.9880 4802588.3250 4251328.3100 4184620.3280 5373167.4480 4608297.4970 3393261.8660 2691249.9160 13189520.8200 6438276.9480 3875106.4190 4230678.3110 3636540 2609401.5630 7763213.6880 5573989.9600 6175853.5050 2169082.0110 6325541.5090 5174602.2110 6753248.9030 5182674.6190 4628573.1570 2315337.8020 3089356.3020 3279647.4310 14767927.6100 4285699.5870 12067690.7900 8392570.4310 3833352.9840 6742030.1290 4811879.5100 8745013.6760 5662727.0540 11354066.0400 6419919.7860 4429418.3550 2370779.5570 3386842.3300 4895451.4980 3555336.2960 6028448.9370 5386390.5310 3173247.0460 5052858.8280 2272376.2290 8549411.1650 8004872.2690 3208042.4450 5308459.4310 4904088.2350 3398201.0840 3722342.1440 3755502.0300 6860047.6870 5502685.3500 3027908.0240 5433764.1800 6238280.4320 9879779.7160 4435475.3630 7741281.1200 2932905.0100 16981997.7600 2919859.0950 3927486.5330 5462758.6460 6432266.1340 3058093.0880 8316467.7200 10259740.5800 3783956.8900 4578355.2830 5158248.8770 5120863.3990 5752292.4480 4041872.3650 4973125.9230 4978898.5770 4-Hydroxyindole 4-Hydroxyindole 16149910.6300 27455022.3200 8988305.9240 54087582.7200 9789314.4240 10770679.1100 22762567.3300 42235219.2700 22969599.8000 8529668.5360 53468417.1700 10606660.6000 11481474.1200 11302591.0500 12231750.4500 28350575.5600 21728111.5500 3968186.0430 6408144.1230 20735869.2500 32723912.8500 19896148.4400 14626541.8400 7394201.2730 20081184.3300 14687769.2900 39067241 18616541.9300 19226367.9800 14649975.8500 15630672.8000 78867288.5200 49161694.2300 16760577.3500 6943410.8930 65996348.7500 60180622.3700 8578299.3890 49215133.9200 32881675.0100 44802378.3300 8678931.9280 10582439.2400 38627050.7500 82332022.3000 54853896.7800 10823166.7600 45461472.6400 1215823.6940 11266527.0500 18345221.3500 8783354.1220 16722991.9800 13209680.4700 51504921.2600 39355181.5700 7761077.6080 29549424.5800 36010845.1600 5682125.4640 13957309.3800 43667166.9700 13548844.9800 28338303.1600 22884140.3200 9618446.6130 15359430.5100 29588486.0600 35611532.8600 14861318.4900 37708019.0400 17887602.8700 45439194.1700 14055974.0900 23013745.6700 21245409.8300 23365254.4500 24007007.3000 20859209.1500 21443277.3000 23529467.6300 4-Hydroxyproline cis-4-Hydroxyproline 627399747.5000 246652795.2000 166828780.2000 361390597.3000 244222365.1000 301747637.7000 680614182.1000 803397107.2000 712601878.7000 554154068.5000 1373580042 892337722.8000 449654490.5000 362553910 646774122.9000 1476471276 562601725 143343801.9000 496028576.6000 307002180.3000 782471643.6000 326027356.6000 235531482.9000 465905826.7000 298064902.5000 898020203.5000 586998822.2000 446828299.5000 494262787.9000 574709028.7000 417251663.3000 246366710.5000 305274383.3000 321548117.3000 415331714 719949736.4000 837914608.2000 289274142.3000 537925188.4000 598930337.6000 867351673.4000 287696804.3000 1088553689 329267830.3000 226650075.5000 823965525.6000 693993582 1425639177 1483173745 619425809.9000 1041786012 310804083.7000 337584725.1000 1261902006 1374503672 1847293183 655961444.9000 412050683.6000 515848127.2000 366822666.1000 317393143.6000 658754788.6000 260268326.2000 190745808.8000 560404965 642627398.1000 431121501.2000 1486749885 455828276.1000 359891016 514452191.9000 476972456.5000 535148494.5000 411790077.6000 706576290.5000 581609491 609205283.9000 650068079.4000 596469110 669882381.4000 652310884.8000 4-Methylphenol P-Cresol 11494379.3400 28576667.2000 5331714.5550 42883600.1400 15141824.6100 22131056.9900 8086722.6640 11957401.8500 28157036.4900 34653637.0900 43801915.5900 25253118.0400 31452295.9700 32855049.3900 27436339.9300 22210144.8400 12365156.6400 25968788.9100 5173989.3510 1647676.2190 68204448.0200 19827450.5700 5997706.9990 31577853.1000 58502987.2400 23149931.3800 674843.1183 7583576.3530 27209245.2000 21664338.1500 37027307.2100 2565878.4380 53672352.6800 23825242.2500 11469078.8000 88028734.9200 24202581.5100 8144558.8110 6365106.1010 26258635.6900 18328637.8100 433477.8151 9895589.4260 33091751 38985662.5300 7558284.7400 35891619.5700 91399139.7600 1472255.8810 6880681.0120 17323685.3300 11080530.0800 1817784.3500 20934606.3800 85834342.3400 161470972 17084033.6800 24239695.9300 150928426.1000 18666000.5600 8904909.2520 1689327.1090 33048234.6700 32469451.5200 25975013.4100 37701291 6391815.0150 40069427.2900 12479866.5900 69951188.5400 5630158.8040 45780300.6800 35296713.3600 20316496.1400 30862534.0600 30767415.5800 18464106.0800 31098101.2500 19878678.9900 33211017.2100 28329592.7300 4-Pyridoxic acid 4-Pyridoxic acid 2897650.8300 2471070.6870 710739.4951 2189614981 894980.1460 2322064.6040 2032573.0060 6252966.0570 983836.6927 1104413.4110 829862.1436 834870.7601 734076.2609 2001098.3780 1584395.3250 5829235.5540 3513604.5520 3385381.7290 1492840.6560 2635280.7030 5068928.0990 835869.4681 6723879.2320 4350848.7170 1264284.4200 948871.3077 2792753.8680 589772.8731 3823724.4020 514576775.9000 5537711.4660 8737432.1820 47203626.7200 1881537.0600 2635774.2330 3025831.1290 912720.5904 6727983.0180 439604.6465 2051016.9360 1678611.7590 1173188.1070 9173291.1730 3341786.2220 3351054.3000 6922858.1390 1992197.0230 729834.7699 534112.8247 949343.8454 532712.7355 3947137.0570 1801994.7440 22350596.4600 1611652.3120 63604999.1300 4111390.6830 9757821.6270 4786910.4230 4008005.3860 46871396.4700 689324.4759 2133071.9820 9968607.3210 1298325.6440 1133940.0590 1419703.8840 2235439.9930 3608595.2300 2038248.3300 8836595.3700 2100392.3560 1212189.5190 4878152.4880 46415789.5400 34568234.3900 34700640.8400 46041935.4600 40636161.6200 40921334 40186696.5100 5_5-Dimethylhydantoin 22431422.2100 10679645.4300 34973294.2000 48365103.9900 31562552.3900 14627511.4000 23993475.1400 20421399.9100 76471014.6200 12546472.5200 13775607.6300 21959308.4200 37560007.8900 30628891.3900 37791234.2200 16969160.9100 20317143.6800 14904615.8200 52874198.7400 26234528.7200 36064878.3600 26736133.4900 35189388.9400 32198123.4900 23502142.3000 65427106.1400 66244147.7200 35105637.6000 50315692 15572947.3700 24679797.1600 20738370.6100 28432808.4500 19672153.6100 28533334.1400 15040449.9700 17372776.1400 19676426.0100 58226085.2500 31179974.3600 34498476.9800 41969823.6200 21011199.0800 14541658.7300 26433931.7300 21823254.1000 22178605.3100 16633510.6700 14536682.4100 17700430.5200 57384901.4200 27024193.8800 20868692.5700 17300991.0100 57401039.9700 34513557.3000 35158865.2500 18018564.4300 45972143.8600 31871730.8700 17496738.0400 23105209.0300 42493271.5900 16424677.0400 38253237.3700 26424060.8900 83996858.5500 48951279.0500 67432446.5000 36230452.0300 41374592.4200 68778196.2100 53290473.1000 36536390.0400 22425609.7800 24221130.2900 19893152.8800 21717805.7800 18467603.6400 24968529.9800 22901286.4400 5-acetyl-2_6-dimethyl-1_2_3_4-tetrahydropyridin-4-one 1167722.3090 1086969.4110 1077910.5180 1404305.0600 1088121.0850 1132451.0310 1238336.5690 1157619.8050 1047556.9670 1165968.7500 1260734.3300 5889519.0930 1529009.2810 759834.8071 899111.0367 1402052.2220 1381533.8640 1084346.2530 1180533.9170 1195710.6360 1344569.5220 96683720.4600 1026782.1770 1289347.3620 1295242.5530 1234974.1240 1306785.0900 972434.0643 1097189.3020 1634021.2910 1121524.3660 1488470.3720 1504761.7390 1294695.1040 1451083.7500 1178402.9520 1470646.7830 1091594.1980 1242499.0680 964432.6099 932207.6868 930384.8249 1218935.7270 1344434.3990 1815909.6850 1366480.5730 1273522.7560 13195891.7000 979760.0260 1332424.7230 824259.4491 1169742.4340 1231429.7560 1091340.6650 1299540.7180 176227260.3000 1008916.8510 1551237.3460 1139078.2760 1571689.0100 1530451.9230 1336583.0460 1381646.9750 994382.8789 1291447.8160 1140297.9850 880637.5787 1682329.3300 1219551.8820 1336746.4650 1082098.4540 1349179.2550 1268883.5980 1000656.3710 1870854.9720 1781861.9400 1812513.2450 1928992.9450 1990028.6530 1553070.3720 1952235.6980 5-Hydroxyindole-3-acetic acid 5-Hydroxyindoleacetic acid 224416233 95844544.9200 77883250.9200 223266695.4000 78254598.6900 116495879.3000 122851713.2000 107693363.2000 74562420.6500 92791785.1400 132274931.1000 82968894.7900 71451622.8500 56200098.3800 50656014.2700 138120440.4000 100902694.2000 138378770.2000 50826032.5200 96505743.5100 129655548.7000 76394895.4400 118399527.4000 118680812.8000 137458334.5000 53414011.6300 69404162.7200 48785167.7400 145292905.9000 75828312.7500 97586418.5400 153631217.7000 148714334.1000 122056992.8000 122805941.3000 165980358.2000 106150509.3000 115665772.7000 75452049.6300 59896024.8100 44237833.4200 69344493.3400 163297105.2000 114604961.4000 92406143.7500 135948447.9000 153830528.1000 62719047.9100 44180836.6400 167063876.5000 50480713.7700 128139578.7000 118865683.8000 88166297.5500 51186149.9800 160594566 67665072.3000 133266740 105111831.9000 132685194.6000 77768166.5700 176607633.7000 153920054.5000 206486890 70689551.3700 138270811.3000 68078560.5000 74950328.7500 118084541.2000 76359826.4300 83161946.2400 136926245 81824443.7200 85946262.8500 99822267.6400 93591860.1600 101145901.8000 99763509.6000 98291842.0400 96603449.4100 98094193.0300 6-Methylquinoline 6-Methylquinoline 67592064.0300 53522021.0100 49921399.2000 45775075.4000 48523742.5800 60760847.5900 41994854.0900 49102225.5200 28685113.4300 55174393.0500 52105349.9000 40555870.7700 50430814.8100 27866007.2000 29049042.1500 55869433.1600 65479930.8700 69444387.4600 32865305.9900 62378805.0600 66490658.0600 49262335.2000 47928610.8400 65021725.4000 31271179.9100 36208070.8000 27091947.6100 31539780.5100 23843365.8400 85255297.9800 46585314.3700 58003081.5300 57854020.7700 66544585.9500 53207330.4400 66405151.2900 62447455.0500 49688742.1800 27656901.6100 40928913.1500 43343009.2500 33174512.0700 69297874.1100 62379888.5500 44980597.3200 62360411.8700 67001133.7300 54309958.6100 37234005.6100 52120552.0800 30962461.4500 56535129.8800 62748479.0100 53270447.0900 38834580.7100 32163120.1900 25989554.5300 49383234.3900 57551449.9700 58169897.7800 60980614.6400 59250014.6000 54754738.8900 43204460.8100 33126804.3900 58422114.8800 33115077.2000 50183685.4700 64537653.4900 51542556.2600 44184770.2900 65336959.4400 53427573.9600 48368246.9500 46281451.4700 43399188.3100 44625964.4900 46010035.8200 48624794.8200 48730469.8300 41141818.6300 7-Methylguanine 7-Methylguanine 47107543.9400 25249004.3300 22092557.5200 15628232.1500 22065682.9000 17943359.3800 19301541.2400 21593906.3000 15569512.4000 18952204.2800 27539850.4800 18017440.7700 22906507.3400 8878323.5800 13959224.8700 16317626.0400 4509832.9990 19635634.5500 12336212.6100 25356006.8200 17666712.2800 23900210.3800 21221484.8200 29092669.4800 15552040.7000 16848592.8400 21676811.6000 14724582.7500 22631508.2200 19893436.8000 13937285.4500 19053789.5500 33349287.8800 20854504.7800 15997176.8200 25190808.9200 15804209.4800 15667286.6700 15213947.2900 9986144.0930 13942997.4500 12214425.5100 16867672.6200 15976025.9100 17864409.3900 16714318.5500 17840098.5800 21397977.3600 27962284.0700 22726373.3400 11265631.0400 24497032.1300 24430876.8800 20354339.4500 30826379.0400 30833292.6800 11454252.6000 21965853 14388908.2700 29962625.3900 12428589.7600 19749941.2600 14000187.7500 14225630.1000 15611056.6100 16752120.9100 22107710.4200 14773777.2800 17243224.5300 17103512.9300 15630043.3000 15781471.8200 18110160.2300 20575556.2900 17040973.1600 15687994.5600 16276479.4900 19128337.6400 14913609.0600 16159554.5400 17048741.4600 7-Methylxanthine 7-Methylxanthine 12820999.5400 11158869.3900 3326551.1120 7988888.8610 7775599.4110 7321316.5920 17630208.9400 19533435.2200 5787621.5290 4827491.1590 405577.9807 3183070.8300 32761693.2900 325898.5735 2988111.4490 3678849.8190 2982901.7780 660115.3473 523409.5381 17223820.9500 30142700.2200 13659782.9700 36478916.4800 22753790.3100 15140133.6700 218942.8111 9136046.6850 3464256.0130 9901891.9270 1914579.3300 18056188.2100 38888621.3100 19329219.3800 5091403.6840 35600859.9900 15079199.2000 22636343.2600 21261424.9300 2635733.7070 13970222.2900 12897567.7700 8379333.3860 26164149.1800 8582787.7770 29409122.3800 69535987.1000 15045615.8400 6298892.9100 461145.9949 2271025.5540 213172.8134 21922577.4800 11755513.9400 18409453.8600 44798156.6800 8661650.2070 319549.5485 7972860.7010 6025156.0360 8935771.7230 11175348.1000 7528480.9060 4242798.8050 4195891.4130 11296741.8500 18993052.1100 26469474.8500 1134247.4520 12076815.2800 18413167.1700 15583684.8200 20496131.5400 6163094.0500 6815454.5950 11748010.6800 12188652.3800 11453798.5800 11026678.0800 11434115.8300 11849464.3200 11875458.8300 8_11_14-Eicosatrienoic acid Dihomo-gamma-linolenic acid 12702570.0700 26475187.0700 50552485.4600 19251452.6100 35980728.2900 39405464.0400 36359538.8500 28168938.4700 5110859.1070 31906975.4600 52725152.7600 24735070.9600 17631929.2400 20256260.2200 10618979.2900 28367930.9700 28533634.0300 35022876.0800 20340907.0600 42657674.5600 30038259.0700 42374612.2900 47495376.5800 20640791.0200 11146187.0200 11284709.0900 8228187.8170 37896776.5300 35137131.2200 13617328.5200 41016198.6200 10045649.7200 39494450.8600 38455933.3100 29197925.2000 41294311.9100 26494671.8000 22691625.0100 15295782.5900 8710352.9640 14916799.3000 20409293.7500 12768407.1800 31461327.7500 11631174.6100 59643707.6300 17438072.4900 23868535.8600 37315994.0800 27898557.3700 17653843.6700 35092587.0300 43075139.8800 15443227.6200 8196835.4420 24239112.1100 40648584.6200 52804985.6700 37118686.7400 27926878.1900 20340613.1400 32662568.3400 23923177.2300 18569368.3300 8262222.1760 42815381.2600 5351000.6350 19308386.6000 17803750.0300 26639826.7600 31748948.6800 23315796.9100 13130980.7600 45760056.3800 26837483.9700 21436463 27620696.4000 20182788.7100 26936665.5600 24191476.5100 25081687.3200 8-Hydroxyquinoline Quinolin-8-ol 128401399.7000 104585861.5000 87988831.4600 89500101.3200 95804321.2500 119622877.6000 86035252.2600 95849031.0100 56631970.8100 98973788.5800 101279073.5000 55058769.4900 90332610.1100 54049873.1300 53991309.5900 109025619 118003295.9000 130606402.9000 61931724.1200 125542666.2000 133678183.9000 95408040.2900 89471290.3000 125598300.6000 75125306.8600 63836233.2800 47547235.8000 57690643.5900 37509211.0100 156753662.2000 90493009.7100 103083750.4000 104986130.7000 130416572 92620287.7300 117614380.6000 113986638.9000 90750567.0800 64670261.4700 70879196.0100 79961723.3600 62656355.7400 135666419.5000 117494662.5000 84387183.9000 111009705.7000 134298756.2000 104641015.4000 71023298.3400 99906041.3600 59342868.8500 114970112.6000 112991697.1000 102162398.6000 72324900.2700 83180550.8500 50395890.3600 94777641.2700 107886299.4000 115338201.9000 109757073.6000 91927831.7900 103749327.6000 89040832.1700 66408031.4000 111289325.2000 65672638.4600 93834612.5200 114500931.6000 98421377.1000 84978589.1000 125449082.4000 98372430.1900 107152519 92581065.0500 87931149.0100 86175440.2900 86815667.1700 94821346.4100 92652094.2200 86030696.7400 9-Methyluric acid 9-Methyluric acid 25927206.8400 22208699.9100 6268643.3250 42647730.9700 14857005.5200 7807140.9230 62769712.1800 90316971.1400 5969572.6410 11253696.6000 3252251.1350 4659480.4890 89441591.7900 1636455.0140 2698443.5730 11305781.9300 1307915.7000 2922772.5430 1704491.4600 99921407.0200 56451891.5500 36039472.1800 35020453.7600 40303803.3100 24545328.0800 1558653.8570 26827813.2400 11154587.5700 19533840.6300 9565113.7110 58978866.5300 66080163.5900 75437802.3800 8308421.4420 58328436.4500 72718235.5400 71771374.9700 52934846.2200 5682792.1000 30054621.4400 14073586.2100 16962127.4300 22589033.3500 32953228.7500 121176534.3000 200561859.3000 25916672.9300 19078110.5700 2846657.6860 13495750.6900 1633881.3730 89534927.3600 21613787.4300 21203275.7300 232969434.9000 23388408.7200 1489667.1860 20249898.0100 12648565.0300 12744283.4000 27606640.6500 20064475.6700 4772791.2170 14711261.7400 29513933.0700 20556823 25643653.6800 4601077.4790 50869584.4200 34433318.8300 40011652.3800 29024486.7400 14287047.6500 24871135.6100 27557369.9800 25002092.3900 27426354.4100 24581559.7300 23658376.0100 27433111.7200 26974957.4700 9-Oxo-10(E)_12(E)-octadecadienoic acid 47972050.7000 126273259.2000 13929148.1800 7657633.2940 7136487.8860 72600450.3800 32759123.3000 45093561.7900 22099850.1900 66589819.5300 133539156.5000 91576906.8500 61457453.8600 9247431.9050 14459660.2300 8907414.8090 20529506.9700 33825695.6700 9205111.8100 13290370.8300 102605008.5000 9622838.6450 14995699.5100 22270925.7100 28917554.1900 16214351.2200 7681666.4000 10736619.2500 9133465.3470 47695438.8000 14824917.6900 53084418.2700 92526578.4400 49382645.9300 12235371.1700 48140137.8900 56871570.6300 32086692.1300 7322368.9400 12167940.5000 15067106 20723256.8400 28969392.4700 50735565.7200 29794181.1800 10571830.4000 20214073.1200 180648589.5000 28662939.1500 57044312.2000 14997418.7900 8851133.0220 82918118.5700 59186719.6900 38932678.9000 61773898 7900816.7510 30533605.6100 7465717.9400 90490047.2100 66896575.2800 38417529.9700 9874483.9370 69723939.4100 5970611.8110 56992701.8000 16124118.2700 4670450.3370 6903922.2670 91294486.2700 14071199.3000 12063865.5400 14663667.6500 12651709.4200 26332680.0600 23753463.5900 24581749.6400 29533177.0400 27523150.1100 26766634.2500 23057285.0400 Acetophenone Acetophenone 9123686.8040 8200283.8360 5304183.9750 7597963.6320 5774016.8710 8426177.8630 6437405.7450 7805992.1900 4857377.2000 5515526.3160 4796838.0820 13811314.8500 6140429.2300 3230130.8920 6121131.4790 5094335.0110 5992440.2900 8130050.3570 3250343.3190 4995514.6510 5231985.8510 7790072.7460 5378405.8150 1949228.0510 5312808.2830 4415623.7670 5894815.3350 3866754.0350 3262600.1260 11509969.6300 6567182.6510 4392403.4230 8046330.7290 7298747.9320 6426139.7300 7990333.2490 8761423.3130 5161397.4170 5426490.6450 6960496.2900 6329137.2580 4595387.3260 7713376.1180 10445865.1900 8286094.6850 4423271.4860 9595008.1210 6969775.0370 4441082.3130 7236525.2210 6032192.2790 5713819.9900 7275474.2270 10329604.6400 7010659.0310 2896205.2120 6009892.7550 5242084.3320 4602487.2210 8834824.6150 9798093.5520 4891480.6490 8618036.4180 5503227.8050 5545745.2660 4856492.5430 4404056.2790 4319350.9110 7542272.5710 7965673.4530 5488007.0180 7009295.2550 5474171.4350 5400118.5220 6081474.3640 6119999.5090 4480217.8200 5301641.4630 4753811.7190 6425790.8410 5795371.0650 Acrylic acid Acrylic acid 159594347.5000 84096302.6400 187378564 143599059.5000 111977927.8000 102747857.8000 112492144.1000 133708857.6000 310608739.3000 181487626.4000 137457929.8000 231643621.8000 104999726.8000 427362688 411426670.6000 178578240.5000 174643790.6000 127975481.4000 451661400 81516281.0100 170600600.3000 89135770.7400 125704623.7000 112537637.1000 161189801.1000 558559718.7000 462079934.2000 575197982.3000 691436880 136807346.6000 82607921.8200 130717404.1000 172538458.2000 92063594.5300 101631301.6000 83423317.1100 183809138.9000 99020476.2300 309525290.3000 256714321.8000 468247621.9000 313399367.9000 138461091.2000 35084658.2300 81263840.0200 127728125.3000 108674466 147780564.2000 103668070.4000 133242691.3000 483607219.4000 104177752.9000 137645803.5000 188633408.3000 191410595.1000 255225111.1000 475843815 135705538.6000 74317766.3000 178410231.2000 194736142.9000 113965550.7000 121396333 43227166.0700 332480151.4000 121613464.6000 316864938.1000 98541965.1600 86533188.3300 154420720.3000 32533172.2200 125838664.7000 47314712.8000 52653874.0700 182033830.8000 208151534.7000 192654405.8000 212477406.3000 149691122.7000 230245068.4000 178296114.9000 Adenosine Adenosine 1093167.4060 803668.2884 17202312.5600 5738039.1050 1759117.8120 942343.0293 517545.6905 651664.0173 3308446.1090 614490.3536 845385.4957 517090.3126 628663.0573 2255371.7940 584617.1611 516709.7321 968637.3529 554207.6919 6698818.4110 1789118.8180 786824.0507 540557.9051 2549687.4270 572291.2440 437002.4722 7133679.9400 495034.5032 2439244.3160 714671.7046 569211.3796 7520913.4770 719915.0297 583630.2609 689238.7802 4562912.1530 584423.4928 1708357.1040 477874.1529 11729475.5700 1200191.4110 1116582.1410 2613319.8710 576507.8336 607173.9395 417657.7420 685366.7819 709972.2254 663434.2805 583828.1779 760730.1643 551090.1585 4323471.0640 559343.0854 1076283.5010 551647.0467 1345981.1690 2679323.4450 702320.2732 528630.7809 611193.4982 612232.7345 536068.8235 1157590.9380 597049.2847 683428.1109 643326.8314 601009.5497 1216135.9360 930797.9530 614180.8758 5309271.7810 520644.4907 21226347.8000 3703153.0950 1913940.1240 1699863.5120 2300964.8980 2059517.1720 1976668.1750 2055471.6820 1799868.6640 Adenosine monophosphate AMP 4678448.8060 9109495.2590 1019101.5100 1142703.2000 1023660.3520 23154022.3000 3556235.6100 3069878.3760 869531.6220 4186879.5670 15832091.5500 2848303.2210 1381036.5260 985146.9420 786150.5961 33351385.2500 3469601.3240 6127186.2440 864393.4628 974304.4576 14795073.9800 999546.7346 997736.9851 9552193.3260 5605963.8450 929610.1672 879395.0316 1047040.9190 804249.5448 1379791.0950 1046975.0830 5817028.0140 9273989.6630 11687912.8100 1058646.7510 1560077.4180 5121579.3170 1835251.1690 768654.8837 1016732.8540 807118.2643 753714.9097 18682153.5300 21444914.5800 21181314.8800 29039013.8100 1322395.5390 70963108.1500 1234909.2460 19824936.4600 863016.4531 1150968.1980 1828855.3290 2423976.3680 12120275.8600 26468816.4300 670173.5660 7131737.5490 981781.6607 4497122.2550 4157667.1640 7540573.7460 1006888.2650 20947263.1700 1049787.5140 8230225.5580 944031.7142 1241460.3530 1231609.4780 3368686.6300 962665.1420 1145788.2910 1000735.6610 1053416.4240 8562299.0210 5371295.4100 6693927.2080 7122344.6940 7319360.2850 7090356.0100 7274357.8470 Adenosine triphosphate ATP 2227769.0550 2351697.9830 293394.5465 155172.9685 310788.7427 8850534.7460 1771582.7800 2170513.0260 172635.9792 927697.7082 4636349.7200 614122.3216 682594.4522 186004.0476 263494.5261 9373744.9910 704945.1688 3124947.7260 265996.3399 370259.3101 7402306.0470 292193.9154 293202.3401 735985.0550 666209.3727 179174.4845 156353.3695 151790.6750 147022.5178 148314.5610 313516.1967 2913900.6230 1061314.9250 3222969.5710 251529.1765 595085.5275 739178.0453 570246.6511 254301.2471 194444.1628 234832.0796 192116.7890 4185063.9060 1457619.3370 448960.5034 3976405.0200 3302820.5120 2244858.7880 543030.8418 2189184.5780 159737.7424 238647.3940 1571908.4610 1172480.5090 434619.0835 4225023.7360 168714.7698 4051161.6010 225215.6004 771810.8004 545914.2216 1623242.9590 189396.1026 1358133.9810 169933.5843 953120.3934 156630.6338 123673.8155 138532.9533 1313854.6940 93316.0494 133716.4349 148793.4271 283674.4773 1117216.0970 785333.2302 1200494.6070 1529304.4410 1270755.2840 1017410.4280 1079545.7820 ADP ADP 2660588.4370 2737601.9180 385523.9922 323419.5373 387557.2283 17396568.0900 2841455.6620 981093.4318 304892.4014 929626.7784 10918721.8000 745964.0687 857318.8314 282138.8496 351194.2614 8784119.2860 1251031.7680 3209150.0510 356600.0396 394590.8831 13726117.1600 399762.5506 381310.3220 3628677.1050 2002937.7660 334525.7681 284359.2533 257219.5073 260388.7133 880873.4780 408559.3274 2535983.7840 4164307.4730 13371592.0500 403634.9722 943514.1974 1559123.6440 598717.4179 334637.0406 289703.4335 327864.4626 367804.6104 8782102.1960 5522932.0260 3058744.1860 14527183.6300 1084561.3420 14695756.0600 666610.5406 7762006.0260 301459.9381 389405.5184 1650580.5050 779642.5041 2537002.5120 15557348.6100 277111.0825 1578496.3500 401597.7571 1907309.8260 1369329.1830 3590485.9270 318758.2928 1996911.9480 333039.9410 3369203.5660 331812.4287 272601.5779 310475.8603 1130250.3040 233762.4621 257220.7341 286300.1346 369006.4250 2940879.8920 2370779.9680 3401300.0550 2107607.8470 3499852.1340 3002327.9260 2512471.2460 Adrenic acid Adrenic acid 5133995.5750 6516355.4100 29660245.3200 2400520.9460 11535864.5900 6580250.2280 10843821.3900 11109426.1600 1704082.0680 13375795.5700 30043721.9900 14180523.5200 4197211.1820 4464164.8110 4586730.5470 12134234.9500 8423831.4510 12954380.2900 5691865.6870 12121202.8200 9715609.5260 20893794.8100 20690084.4900 8284965.0840 3528733.5430 4971433.2320 2897377.2700 18580852.0100 13635129.8600 2575824.2070 38418151.9700 3444889.8410 6381368.4730 12136227.7400 14236051.0900 22650496.1700 6568231.8360 16363153.0600 3517701.2460 2752921.9260 4903861.0150 4517247.2950 4646731.8060 7759485.5520 3793661.2790 14503096.2000 5209175.7540 9708124.6750 23934626.3600 14769768.7500 9028503.8300 13813734.1500 14773101.4500 5184897.8190 2192551.7420 13589629.2300 22589589.2400 6491359.5170 12881710.3000 4512305.7110 4695096.9120 12233095.9100 5638591.1720 2623390.6700 3309582.5860 20891612.9700 1319328.9000 2637016.1140 5597470.8590 13676631.9600 8986161.6900 5631399.0380 3949849.0440 18006663.0300 6517361.6240 11251399.1800 6794288.3530 8646009.9810 9847722.5940 9954480.4910 6337981.3530 Allantoin Allantoin 2362035.6840 2270954.5870 2198572.3990 8321163.4120 1144125.3140 948552.8883 1598610.1740 2401416.0790 551669.7768 845991.0474 1242420.3740 1795614.1640 1405832.4700 173514.0539 1121444.8620 904504.5535 915411.3229 1414360.3970 152693.6715 3112592.2810 1161281.1210 10666886.0700 1186879.6620 1207496.1790 1224782.2280 544561.6389 1006091.6430 245226.4418 277307.5679 3665385.5420 1339976.7570 1831172.5220 3020959.0960 1375257.1870 3325833.1750 1546018.3690 2296327.8950 1085097.6770 1866760.3740 533255.9824 401375.3855 329692.3886 2666783.6120 2634596.4710 5397106.5710 1197942.6960 2203708.9400 1738017.1090 1584585.7280 1149600.1080 497663.9968 2083460.3520 1780457.0170 1525423.0850 2288980.5350 2087585.6980 915182.4885 1810663.2990 1832520.5890 3437700.6880 6538809.1990 1867371.9550 3826578.6870 1637501.1360 1012130.2360 1970186.0100 514072.9735 2539593.2440 2670161.4170 1578977.9850 8107535.6620 2024639.9230 1826144.4850 3672239.7070 2308253.3180 2238402.0090 2295588.1770 2215022.4790 2393954.9370 2181106.7260 2298393.2040 Alpha-Linolenic acid alpha-Linolenic acid 93272531.5100 73489887.9000 55680653.8700 44339156.2600 26009063.8300 115802025.1000 73693172.8900 97222504.3000 118468043.7000 183236797.3000 210668767 105092589.4000 125537398.9000 46769989.6200 79624052.9500 17760467.8500 103416423.7000 75143251.0100 50598993.7500 94877801.6000 112502802.4000 50885288.9400 67104147.6900 184018464.9000 81740748.9600 92975271.7700 40445814.4100 66466804.9100 42754558.2200 9442578.0510 96484554.7300 56388294.8900 44215371.1300 144475916.9000 81046513.0600 81282950.1700 50085705.4200 74000192.7400 39867416.4600 80389267.3900 72508629.4500 100388141.8000 73391827.9000 71490477.3700 66590460.2100 47321675.0300 109743791.3000 207801209.7000 32363478.2100 137778237.8000 102399767.9000 53656561.6900 58909049.4300 107027824.5000 30228066.1600 130338406.5000 37950118.7700 113488668.1000 47531667.0300 110214666.3000 121338900.9000 160061827.8000 68963658.0500 68752621.1900 42627308.5400 98608268.8600 69167126.0900 30600130.3600 42383236.6200 162889605.4000 71803552.2200 74056545.4600 64161241.6600 42010698.5800 67509399.4500 71861811.8700 68217757.3800 67057366.2800 67126965.6600 69837521.3800 68739608.4900 Aminoadipic acid Aminoadipic acid 3179854.3340 4878352.7540 9466401.5750 22241249.2700 5168847.5370 2908335.4390 2458967.2310 2564609.3360 9128190.2280 3539464.9730 3506053.4690 3023271.2560 2868404.7880 11907731.6400 10554297.3600 5731638.1500 7450430.8930 4775696.3120 8351017.6060 21596829.2200 4824393.9670 10750853.6700 8917476.1270 4849078.0760 4035763.2880 11573749.3200 11211583.1300 20775648.5900 10409093.9600 3250736.9550 12438168.8200 7379768.9090 6230020.7110 3470757.8840 21570368.9600 7244540.9040 12926467.4500 4191226.8860 8323667.2270 9655021.2890 26318465.1300 17236324.3000 5721108.5550 17193233.7300 5540372.8230 11765877.1500 5443078.0770 3165907.8480 2691912.7010 3626928.4320 9309260.3270 21762191.2300 4962527.8960 3017989.7220 6484575.8270 4052743.7410 14916062.2300 3895529.8300 12085020.1900 4864405.7670 3990900.7930 5579643.8060 17993471.2000 3489008.0660 8817236.4270 8661828.5410 7461393.5550 22345876.6500 13015455.3100 5476892.9590 8518112.4870 11719896.5700 12476504.7800 5689899.8150 4219659.9460 5364870.2910 4019304.4710 6819864.6380 3363919.7250 3488787.0980 5642351.4740 Arachidic Acid Arachidic acid 10615627.9500 15405071.6000 9483551.8050 14871468.7900 24170371.4900 17352612.6300 9157782.0580 14077254.6000 10608609.5700 10598631.0900 18471888.1600 18066166.8000 17545961.5600 8665580.1930 9408234.4980 16237335.8700 14410920.3200 18773256.1500 14541887.0300 9851649.4610 17007078.4600 12837507.5700 7649526.4960 16499568.6100 6983889.7260 13786746.2000 11382611.5500 12157645.3900 14576871.9700 8483041.7350 16233259.3700 12471968 12631254.7600 14475555.3500 12337950.4000 13708186.6300 16833926.0800 11275218.3900 9110093.3910 8726145.8840 6846886.1790 8743887.4540 12756161.5900 10497139.0500 14214564.1900 25880744.5400 10995178.3100 17457532.1600 15916345.6400 20003791.0100 11568842.6600 12707181 11517125.9100 12825892.7400 9155594.3170 15452367.6100 19224572.8800 15650220.8800 16771047.7600 16151871.0200 13691087.0200 14205487.7800 18726407.0300 14190026.0800 12133379.4100 18507762.4100 11161288.0900 9624925.2540 10023450.1100 19664513.0500 5483476.5270 12460509.9200 11002113.7700 7579038.2230 18751362.6700 16711896.3500 21456925.2000 19686364.8400 15312943.4900 17854835.2400 19778181.3300 Arachidonic acid Arachidonic acid 52030482.6200 86544876.3400 138928046.2000 55474077.5500 77430233.1300 138646182.2000 118949102.8000 101675526 42938255.8100 125530677.2000 250312772 96146539.9000 83755812.2300 83212104.0200 77068222.2800 140696895.8000 127973940.6000 115304711 93830343.4500 143609518.6000 155663295.4000 110786229 171268742.4000 88333296.2000 63349736.6400 95181072.5000 49465282.2600 183722077.9000 99855718.6300 82379532.4300 166656463.5000 53682846.3300 85447841.3000 118871789.7000 120325252.3000 183196636.2000 128346947.8000 96731224.3800 73072557.8700 56150159.4600 70348110.2800 82813397.1200 110663536.1000 96584315.6000 51220272.3300 190940449 85464706.3300 120517220 176176071.9000 196481087.8000 77065713.6500 109838485.8000 176891160.8000 62254895.7700 72045412.2600 112296013.8000 185538422.2000 90944684.5000 117726864.1000 67206784.2700 80576401.4300 112342215 93347398.8200 58362886.1000 44206235.3300 182195418.2000 28456970.4900 101097630.8000 82423676.6000 109125969.9000 90297417.2900 108528310.2000 49868563.6500 167823680.7000 97265006.4700 100236297.4000 108957011.8000 107045401.9000 96383137.5900 100787053.6000 100344875.4000 Argininosuccinic acid Argininosuccinic acid 562808.3858 284437.1716 736654.4255 3509998.0240 1596784.9290 366025.1532 595268.3131 976532.3528 9763106.5580 288002.6600 349897.8111 280290.5648 308269.7461 1642146.2490 1597237.4000 831990.3616 395203.8943 322029.8082 1245243.5400 228374.6740 895083.6054 673779.6698 812443.4222 274322.6522 181868.5712 1739016.6160 1351445.4160 1205788.5630 1491746.0650 1025631.9800 1085956.1830 2236815.8550 498728.8724 358891.9140 1165264.7550 387620.9677 705792.5235 240451.7278 1502643.7870 1943083.5040 1460313.3050 1652867.9200 590965.1172 659879.0783 253651.3719 257268.3469 1217887.3270 622327.6868 308873.7419 772270.4506 2695826.7030 616833.5830 348933.5041 501579.6545 354824.6032 720823.5976 548665.4472 1517360.2250 1244297.7640 264993.7501 317240.9487 847151.2232 1219262.2830 396456.1487 1586679.0900 252173.1076 975830.5485 2228044.0980 1658517.8060 798214.5126 1204092.0590 1672422.9920 1285270.9290 1076971.5260 1174948.2850 245317.9888 493586.5131 1132711.7780 1224346.9560 1323721.5680 1087308.4620 Ascorbic acid Vitamin C 1544762.7690 1266665.9570 3873208.0340 1329891.2620 995564.3138 2245918.2960 1484435.2500 2013621.6730 102755364 2036900.7780 1977850.3840 1804525.7920 1776264.6390 34912163.5200 56732936.2800 2258524.9780 2069196.6390 1438671.5080 57195840.9400 2832912.6780 8255777.8700 779228.2921 2227353.7650 5503325.1710 1367994.2170 46149874.2900 27813066.2900 40808953.6100 38698292.8200 2435547.6190 683428.5197 1342588.2790 1920656.9700 1876347.3450 5170512.3780 1381558.2980 1561892.2550 1270209.2380 54288367.5200 18827300.7400 48331987.8100 49315479.1600 1660777.4700 1322262.6880 1292200.1260 1776171.5110 1764346.1110 1675294.6230 1334394.8340 2611965.6620 34770181.1000 766182.0935 2694821.7690 1788269.2520 1950005.8300 1153614.0220 60143558.2400 13266013.1800 610912.2099 2307013.5210 1410633.3000 7365375.6470 14826115.2100 1279084.9480 12851118.6100 35564092.1200 57082869.6000 15211518.3500 661579.3499 1595078.6090 2634251.9320 1199869.8680 1287751.8150 4059371.7820 6912858.4150 8343955.2610 8968544.6390 8250485.2630 6303730.2300 11323940.5200 5491431.2630 Benzoic acid Benzoic acid 4559381.9000 3984591.9300 3508067.3840 859972.6553 3617880.2740 3530397.8350 318331.1093 997680.5711 2231539.2730 3856758.1630 4309879.2340 586290.4251 3378089.4600 1814940.2790 2449667.5790 2672625.8640 2239579.3950 4907946.7400 2182459.7030 3088768.9270 2696689.8630 3124653.6500 3040102.0600 252797.6416 296644.2040 528104.6357 1820580.6380 2097435.5190 337132.6422 1793327.8410 3727700.9410 2565248.7050 2149471.9240 3642119.4910 799995.5235 407732.6899 4068440.5620 2754392.7830 2298146.6990 2717597.4720 1877030.2370 1477408.8890 535352.1663 1954377.6590 2668182.1840 1534311.1010 4538701.2210 506829.0113 12460361.8400 582912.7434 1716695.2820 875201.2799 4279260.4100 4143389.4920 2300518.2090 401063.2649 2765674.9240 3764877.3910 2805558.6100 3289742.3880 229849.2737 1051940.9770 2613234.8980 551527.0338 2279261.0670 884022.0685 397720.7427 983481.3802 264323.7176 1021296.1020 1495861.5250 2325645.3790 444148.3507 3807478.0890 715217.4183 955653.7091 1052697.7830 885156.8821 896317.3919 798225.4677 896795.0969 Betaine Betaine 7808442276 7277453742 2972795926 7610638013 6416975915 8952656692 7631151096 6739250765 4973089776 7949978923 5756250305 15426214406 13805994507 4797644163 5195297568 6588091252 6633928202 9452182853 5323707416 7611938311 6164742680 12505541871 5563991245 5230312147 6312862417 6659611005 5579569728 3630512338 3431047981 6170878719 7733853977 12468233065 5594180642 8239105145 7269864178 4098772033 4646328907 11703412218 5770532783 4972949652 6291403355 5148938299 9612443271 3447966710 6318472365 6291051715 9011207928 9218530287 17414528123 6755364983 6220651276 10699710721 10358136402 9232371605 7312955014 12539696090 5792365469 7157303687 11096549193 7836467564 7684290662 9412077489 10814482774 6215146929 6040398765 5789962198 8105368853 4074755830 13557466426 6336518814 5964956998 7326669793 7275000572 6866292778 7310231782 7148685681 6728172290 7410267442 7201570816 7114980980 7127421503 Bilirubin Bilirubin 54683118.6600 86109310.1900 62242966.6300 69835904.8300 103362144.4000 98934619.2800 82351522.6900 62622458.3500 96691197.2800 58063532.5900 262468014 100861817.5000 104310101.9000 20923758.3600 32967386.6800 95988379.4800 101217593.6000 180287038.6000 24073687.7600 116938178.8000 88968451.3100 99202217.4400 107690516.8000 242588705.5000 60529203.1600 25071020.0200 51070791.2000 55111829.6500 77263286.0800 23586335.6800 147238644.9000 496347738.5000 306317449.7000 76248597.8500 47021952.9700 163411019.8000 15836414.6900 104042493.5000 55153270.3900 18729130.8900 79252954.7400 78189932.3000 49585004.2100 18579722.7200 8172024.3790 176362836.3000 85210153.5200 60718719.4400 91806582.2000 53876845 55090275.4600 148596121.6000 109846196.2000 100286798.7000 51146586.6800 123545484.3000 61894683.5300 178154805 110473747.8000 334172211 41921387.9500 123237426.3000 58374859.5100 96202010.4700 40796209.3300 36534926.6900 69821694.5600 19704457.6300 99499361.0300 38915319.8300 60643435.0400 140099553.3000 77555825.0700 76779234.9400 63538785.3600 68943324.2300 81929832.8100 72667282.3900 67375235.9300 67052150.8300 69062881.4700 Caffeine Caffeine 4646864.7460 250748283 128109631.2000 9241328.9890 1779330.6630 5338014.6610 96760460.9400 19483596.5500 4604693.8430 17980203.5600 3527213.5420 64272585.2800 55981186.5900 11133433.3100 36860330.7200 308758661 1546627.9290 7359370.8090 42666088.9600 9057691.3740 175667887.4000 278430531.6000 12593498.8800 11080704.6900 25596020.7400 3002405.8300 50019705.4500 6224282.9500 116111330.7000 203765645.4000 16242535.2000 3423571.7320 594261103.3000 7903778.9040 595965666.4000 73239808.9000 5354578.8220 67066173.1400 72443504.5700 170282340.4000 138119014.7000 26771333.7300 23135096.3000 19860637.4100 76878991.7700 29264230.7600 83399126.7900 28429622.4400 4725126.4120 15356588.0300 4327879.0370 65605793.7300 4382976.6870 165638864.9000 5307675.5020 5526433.2720 7479222.6680 175403497.7000 8201957.3390 8681519.4460 547505400.7000 4940373.4160 6151791.8050 155152960.3000 149381697.5000 63411214.3200 172377621.5000 5594440.4100 7077612.9180 5008749.5000 68486017.1600 95844572.2600 18682218 9048266.8010 63205187.8100 152336957.4000 16080780.3500 8216750.6890 83880967 107626269.9000 6079663.7540 Capric acid Capric acid 14229661.2800 85626290.6700 44883300.5900 88939988.5500 31750033.4200 16066329.0500 30823604.1500 13894534.2000 5704927.0020 11856266.4400 48177992.4400 29824108.6900 33457636.7300 7916491.8220 32064000.1900 6650214.6740 7294777.2610 24242023.3100 26975576.0100 30253786.4600 9139987.8800 23299587.3000 202385770.7000 87664114.5600 13050980.8700 17312379.1400 4601454.1500 13264975.1600 25064729.7500 22929912.1300 27274796 23222449.5200 53665521.2800 21558339.1000 155710545.9000 28865967 72694838.2300 36268349.0600 24977101.8200 3892285.5620 4281546.3610 5726814.1530 11795386.9400 68908654.6100 206840075.5000 88736692.8700 3275539.5940 29123453.2800 36007775.6200 30927125.9300 12762224.4000 16476209.3100 23069376.6700 14713510.1000 4308092.7710 12022738.1000 21544408.5600 29569408 15064377.5800 75502050.0600 28754719.8500 23655261.4300 26308961.9400 37979285.0500 34915702.2100 60399241.0700 7237036.9340 18948530.7300 9827814.0210 53952535.3600 49495918.2800 26209543.1500 32122562.5200 19971619.3400 37823394.1700 40385434.8300 41288573.4800 44550204.8800 25427251.0300 43772447.3700 40339677.1200 Choline Choline 1197952628 1484121531 1605725213 957250877.8000 1007799726 1036181952 952716200.8000 1400036606 790762714.7000 1372257051 801115256.2000 906647567 1048570344 413256185.7000 447980239.4000 742465226.6000 1000504984 1151610014 533405635 1227231766 964007838.9000 1668764513 987031117.3000 975889199.7000 939096971.2000 875423103.7000 714644980.3000 596952345.1000 790680541.2000 680368002.1000 1102281274 1099174669 1009475031 1309543396 1044584403 1204751681 738040070 756477453.4000 596973000.2000 637566975.5000 603519241.8000 658836585.6000 1245236797 894889507.6000 846015167.3000 934755572.3000 1193886619 941696770.6000 949281902.3000 1317167308 542416907.3000 1277288592 1285784279 1318643425 817307257.6000 1375180484 779374984.7000 830211247.6000 974180205 800349935.6000 1030902380 1037137461 1119713122 995456926.5000 859398608.1000 993218473.3000 945435050.3000 1141579004 1867428251 754795747.2000 1407023393 970171146.3000 1192375578 1131080635 991670492.5000 1001097103 995826278.3000 987640602.8000 981632690.5000 965508576.4000 1012358916 cis-Aconitic acid cis-Aconitic acid 140819053.9000 133281705.1000 49248821.9600 51110707.0100 58534067.3900 127699221.9000 104987186.8000 135464376.2000 803912163.6000 128828064.1000 139890916 153103224.7000 63553455.6800 369225652.7000 369458270.5000 142957735.6000 88386684.9900 103690780.2000 563554017.9000 53517142.4100 116369909.3000 43350925.4400 48230522.2900 164892404.5000 62123920.2500 1009429406 495740795.6000 805174377.7000 718350818.2000 153561592.7000 29450116.5200 124760846.5000 153975977.6000 168762458 46556115.1800 113608227.1000 133375030.7000 70842211.8300 531209406.7000 333497983.8000 537575227.5000 617672737.6000 118860606.7000 87778273.1300 131522625.5000 148658048.5000 94696474.3300 119730045.3000 145225350.4000 139388365.9000 355140739.3000 37911894.0100 146703309.9000 136578788.4000 88464024.0100 120853362 1410096749 133822523.5000 34134710.0700 137458102.3000 106814264.1000 117533465.5000 50112967.3800 88037096.0600 539001752.1000 130575541 695929837.9000 30706505.3000 26615755.2600 77536351.3600 22695903.5800 32579880.4400 64900572.7500 41830002.4300 344271375.6000 301492005.1000 284344943.5000 340677511.3000 336959047.1000 352191808.9000 291288294 Citraconic Acid Citraconic acid 10794100.1200 12527978.9100 8021150.4510 14400975.4200 8557432.5300 5550851.9810 10777424.6900 12968638.2700 16296437.2100 7591265.1620 8090536.5100 5342534.4720 19834567.1900 7365712.1300 5967484.4840 6419048.6180 10875904.1100 5547657.9990 40084492.1500 12593767.4500 9486962.9050 11786540.7000 7494227.7230 5056864.7900 16316094.3600 11566128.4700 20001928.9400 11365749.9800 12875078.5700 6692307.2110 5748880.9900 2859811.4350 20490989.9000 5265950.1600 23197793.5500 5366180.4690 7375978.3240 7890281.6940 5968730.6980 26815624.6100 11933561.1500 8746228.5350 5604311.4050 5933427.3210 18763138.8700 47886870.3100 17516591.3100 9968231.4320 13445568.3300 5364176.6490 13028455.8200 14514598.5200 5883307.1940 6013675.1450 24913398.8000 9335389.8380 7078408.0550 5142394.7710 7635146.2150 6773343.4250 7980779.6050 10506712.1800 8685617.1050 7395307.8830 28691431.9900 16782125.6300 9095310.9400 6783205.8380 12424062.8000 7051350.3860 7273121.3130 9236969.9780 10310737.7500 5122499.0010 11448405.1100 12230025.5400 8352222.2940 13056842.0900 8529024.8110 11275574.5000 11937857.3100 Citral Citral 7209837.8160 4092480.7510 3688470.6410 3222771.0580 3309582.2910 5954040.8090 5467083.4580 6063281.6000 8343393.1780 10071916.1900 18137653.8600 8829919.3390 11026373.9000 4585389.4420 2396060.9340 1897240.4180 5878435.5950 5641347.5620 3880676.3440 3695131.8340 2982539.8160 2933013.1360 5269265.5810 11482657.5800 7200344.9780 5281284.9060 2252190.3770 4226775.5140 4711789.2480 1619950.4240 6048008.1720 4311268.5890 2646646.0450 11187173.1200 10318608.6400 4293821.6060 5192668.2530 5710071.8150 3806646.3350 4160112.9200 4371139.5470 9864104.4380 2899913.5760 4744287.0190 4159058.8320 1912354.1550 5704642.7660 5995609.1790 2807089.1660 5352509.8210 5838129.5490 4292697.8920 4756794.5930 6825700.8920 2597906.7620 4893100.1470 3569161.2270 5876462.5590 3713569.2870 7153715.5480 5372065.1390 12048907.6900 6647252.5330 3596630.5790 2465929.5150 6018587.5350 3252875.6110 2240571.1230 2147311.5980 5653714.0360 2118945.4640 2596698.5730 4034590.4840 3471042.0460 7073049.6080 5259926.9800 5016105.0640 5370337.1610 5321729.4940 6569643.1780 6147467.7550 Citric acid Citric acid 1607657505 1156345913 912493359.7000 533816568.3000 1320420875 1365633879 1468249399 1121088992 38558776265 1326072514 1694405901 1588804239 1393274511 41916260944 39626913184 1151630509 1078359375 1205804169 41303127090 940769843.1000 1517077342 628338568 873525603.1000 1512320865 687737548.2000 32462527438 33586983072 35877553617 35604476821 1203446638 718831189.5000 1192058469 1325656596 1540928790 914455961.4000 1216833866 1227402968 994628749.7000 39109071011 30833829318 32806043276 38285007713 1208876448 807963250.8000 1242226996 1387990111 843385306.3000 1398162993 1346652449 1365869312 36406735802 851101794.3000 1631206502 1080089948 971906312.4000 1174367181 37531193448 977627741.6000 826281522.1000 1376872561 1076949626 1293843809 1078666031 866253404 32005839660 1283683599 39020230019 536320160.1000 541416555 974774899.3000 441860446 735635014.8000 1138733612 619008473.1000 14683238791 13502678102 15486421101 16062608804 16270631269 14446067407 13890432797 Citrulline Citrulline 1395568269 817080254.6000 1735310386 1969179331 2104670769 976711954.1000 1085488170 568430820.3000 1463238090 246220451.4000 860957034.8000 945763688.4000 1310777517 692798119.7000 1515605222 620889561.3000 1091015109 1251344087 1239149176 1401053794 530327672.2000 2206697475 1637669647 818566375 841579152.5000 2036341718 1492874356 1101321768 1336328471 779765771.2000 1603173129 397016677.1000 1073453744 734063506 2080092790 1468426876 1279525688 1211701947 1551402580 1743168236 1298062769 1517887455 1170687259 1619072820 585951500.3000 700931530 1609643547 1621702976 1354521522 1305737547 1921418325 1883588807 1120648553 1093880682 937834456.8000 2182609186 1261050557 1932622348 2368167842 1224295359 1167369946 1199471166 2118065586 153971916.4000 1881712944 434759405.7000 2064952409 2205912432 2461660178 1532359543 1725724971 1687924024 1172676914 2118823082 832040481.1000 1131766414 1047646771 660177374.7000 1182321135 1164351925 774140637.5000 Cotinine Cotinine 306385475.7000 1475487.7660 951501.6237 753945.6092 120004918.3000 1222314.7220 1064539.6360 224691431.1000 19199031.6000 2244287.0120 959121.1631 127063841.4000 1245524.6690 774673.9878 123240538.4000 929390.3062 1056352.0070 1114359.7780 59804439.2300 33638427.2900 1227219.1740 56432225.8700 836012.3961 1233254.9790 896578.4022 67868736.8900 976597.2533 98349716.2100 26402024.5800 93172041.6200 892858.9459 759203.9768 1010590.9860 1034700.6060 884606.1239 952162.0463 1036943.4690 795707.6205 39943955.1100 947630.4290 636666.9373 1511452.3310 1252642.4870 900110.9217 35965317.9400 1066633.3330 997418.5117 202039623.3000 99950947.3900 880147.7972 46429018.3500 49990388.9700 49664328.8800 957596.5813 277636805.6000 236688395.9000 975390.2025 1170521.8420 827004.7827 880414.7541 1060570.8750 143310045.6000 924545.6564 1055273.6330 93865745.2400 1037416.6270 969125.9347 31343651.2500 87740984.6600 27335830.4700 17799651.2400 968697.7205 988291.3458 11184932.2200 30925516.3600 29660426.8400 27249126.8500 27684130.4100 28844016.9000 31878580.7800 28793131.7600 Coumarin Coumarin 50494132.0800 40907202.6500 30850792.7100 47167695.5700 30334008.6500 46336504.6700 31351536.9300 44791184.8500 23396860.4700 34971345.7600 23763892.6400 72400242.7800 32000746.3400 14641544.9200 26114350.9900 27539359.4500 36833799.9100 37757627.4600 31238844.5100 30418114.2600 29459939.9200 39012264.8400 29133914.0200 28287642.9500 26584865.1800 19441748.9700 31217537.6800 22638316.2100 21076892.1600 66868018.3000 30167992.2700 38438449.7300 46139724.0900 41332550.5000 36260078.3000 41259650.4700 51763471.6300 26208725.0600 27110721.1300 28728982.6700 30013883.5700 19662747.5300 42272127.0400 59768673.3000 39858244.9400 37277378.1800 63076195.1800 25598841.5400 25006889.1100 41974887.1200 30697598.8000 27409175.9200 45219251.5500 44360017.1600 40329446.9300 19976184.5500 27250536.6900 33903413.0700 24185851.7500 48751801.5100 59025238.0800 25722296.0500 37105543.4300 29198322.5800 25010135.4900 29224990.6400 23687361.8200 25397252.7800 43163601.9600 45764813.9700 27780700.6200 32848416.8100 29203893.1300 27422303.8300 31294528.2900 34213769.6400 32941481.2800 30001748.9300 26161621.5600 35965872.0300 32199556.3500 Creatine Creatine 4643456371 2471514572 3909670617 5061424424 2732086018 1901879077 7999854287 2770462491 1550445723 8070038648 3551100574 1817133004 1297034297 5658720180 3329698283 6072286922 5503186320 4095245781 2014857125 3895336492 4078781011 4291311073 3944405359 3709651901 5061292010 2204476001 1760479287 4823206626 1175824174 7699608546 3942412358 4652427625 4656837983 3706093653 4081067642 4794599045 4156658779 9316527937 1360569217 3735514902 1397370959 2041788635 4266791844 4633445132 3221180724 3399963989 2507777179 3895415479 8126082417 6176571543 1200527035 4735990027 3692663769 4062423528 3309893121 2705894611 974393253.7000 6809063462 2814805308 2669264307 8084746806 3698386151 2710292093 3633343626 6424222843 2154626944 1688032987 6977739228 4452518427 5553897173 2687083254 2896901880 2300408503 3379268507 3832523385 3596976941 3642343078 3744813777 3551407696 3776389161 3719481451 Creatinine Creatinine 10050538985 7656737972 8143478845 11752853102 7718194492 8968683371 9469308468 10886464187 8692375865 9887082365 13367840594 8744069666 12391675295 7066705387 9479208839 11595654648 11806304292 9699204047 7032426917 8615396819 13674167875 7396681656 9371889235 12995320698 9027899371 8274480208 9529640027 7846064002 8625253890 11575876979 8666913116 11583456636 12975505241 11664147708 7753790755 12072919347 10815520823 8324324054 8529586550 8305013611 8700073276 7964630322 10653343015 10000342817 10354331865 13215985006 10151277410 8817891517 8795508147 12135533801 9223586275 9074531113 9003147484 9237229898 12319982435 16834001806 6033671074 9186876423 9328283118 10886314339 9447867486 10143012028 9406761860 11474767563 8450937210 9621890660 10057226335 11275315865 12977497825 12131310793 8589794579 11004048093 10873522185 8649387007 10474249107 9139887974 9547872293 9732027143 8006018611 9904428910 10532588663 Crotonic acid Crotonic acid 29783801.3100 24691394.7700 30000402.4800 20263495.6800 22993369.7500 24699985.3000 29512119.5900 27328820.5300 117601183.6000 61178331.8100 38839687.3800 50955629.8400 27747441.3100 108305020.7000 96383972.3900 29393586.0800 37038740.9500 35044957.1200 139839047.3000 21771267.6200 37396099.7100 15213073.0600 26943773.7700 22127458.1800 21845064.1900 93413561 105792961.3000 100406233.7000 105384415.8000 23395148.4800 14570945.0900 21014829.4700 36381201.7500 24708641.4000 27337484.7000 20540152.3900 33894801.3500 24330604.5600 87333507.1600 119654144.5000 101862783.7000 122711871.1000 29158403.4300 7746761.7810 14676106.3800 28483966.2000 27543347.5200 19510991.6100 23296642.4000 36510203.5400 105255977.2000 20334563.9200 27674568.9200 41110889.9300 33860789.9100 52872832.6300 117861215.5000 31277867.3700 18410254 40721142.3800 37640865.7000 29389313.0300 24781914.3100 13520041.8700 102574691.1000 19936326.8600 84917591.5100 19198573.2900 27275908.9700 28783411.6500 5959321.2390 26210064.7100 9561186.5980 14545570.2100 51950713.9100 45761140.8100 49537414.2800 36091429.9400 47423630.8100 49545260.6100 49766907.9600 D-2-Hydroxyglutaric acid D-2-Hydroxyglutaric acid 21756895.0800 9435021.5250 36448814.9900 47613226.5800 26010554.8800 15315324.8100 14110183.7800 7458056.8300 79421366.2600 10080057.1500 15899910.7000 10669025.7200 11394945.9700 53563382.8700 68365991.0900 6209776.9760 16179575.6000 12074896.1300 40976269.3700 40154808.8300 17124363.3200 30166706.1100 32002315.9800 6981879.8220 9726834.8320 71979923.5900 52900577.5500 67751471.0300 82790215.5900 16710313.3400 38360448.4100 9103472.4900 15626271.9600 13584546.0300 77393524.4700 15839490.6600 7566131.2950 5212033.8050 54112021.7200 76514987.9800 48255369.3700 69642063.5100 12568981.4400 7059820.7260 9759633.3910 22325816.2100 11816081.6000 14300889.3400 41333607.6200 17240137.4200 64530431.8000 26387512.4900 13379716.8900 12481613.0600 13698014.9500 25782405.1600 55806823.5200 10896650.8300 24063196.3200 8016596.1950 13259101.0200 17537836.0700 21847784.5400 8327995.5960 69777285.4900 40482829.5900 51455322.2700 39543266.1300 26570331.2300 10036602.0200 21741467.9300 24633835.2100 36643697.6200 36391400.0700 19601906.1900 22542883.1100 13825408.4400 17879995.0600 24340923.4500 20328085.2300 17514764.2200 Decanoylcarnitine CAR 10:0 4448009.7110 16432505.9000 32384993 2080475.0860 27775080.7200 24597154.1300 11573778.9900 5731025.9170 2047854.3560 14794091.2100 24292027.6300 9347208.9670 13416372.6400 6175987.7640 20154220.5100 8314011.9730 16606781.7600 11446090.2100 5397495.8240 12884966.4200 7816277.7070 11273467.0300 10632925.1400 11038621.6100 2935310.4200 18310721.5300 4923598.5560 16128549.7900 9163064.1350 628681.5625 22852356.1300 9136323.7170 10022250.6800 14214800.1300 7597917.3790 9300719.1770 7596572.7480 21669071.9200 5067965.5940 1582161.7440 8397503.7130 10639108.4800 7717531.6020 6013051.0410 3526579.2260 12170210.9300 14224317.3100 22638800.6200 58256509.4300 29967909.2200 35624210.7600 18244667.9200 20378104.5800 10547622.5500 3993869.1650 19380855.8200 8121332.9110 4863194.6870 10618819.7400 4072351.2850 5473708.9110 13557651.3900 7720387.0420 30635577.7400 2394245.6840 38934600.2600 10697187.2900 4142576.3230 8402372.8450 8788442.4290 7642093.8710 21405809.9300 3360569.4130 12133807.9200 11301698.2500 11690747.8300 12153341.9300 11686963.2300 11784143.9200 11853290.4000 11255899.5400 Deoxycholic acid Deoxycholic acid 63205662.1700 9979900.2590 18490446.7000 9225349.6570 33412185.1700 46124649.4300 42999970.6900 8088558.1240 8141733.9220 49987687.2500 43769199.1500 22797894.8800 31831385.1400 10412258.6000 14817620.2800 93772506.4800 36288111.6400 20009024 15308937.9500 3644161.5480 28679782.1900 56858298.1400 2430557.4040 6194325.8230 19592331.9600 8254003.2880 57017114.3200 2031664.0110 18346282.6700 39574272.2000 11652406.4100 59015157.8500 52268283.4200 29034010.9100 27378396.5300 25759091.7300 22107899.4200 4415331.5440 10315400.9900 33294082.5100 18975160.1100 3367886.0570 33489183.2600 76034629.5400 79074253.1800 18738660.1200 47442775.4700 22071391.9200 88790812.1200 18642307.1600 5549955.9580 23644141.2700 9088576.7370 11956342.5600 36347724.1000 12787763.8300 12591027.2600 23763650.3600 13537181.8400 9302860.3610 25218768.1200 48201305.1300 47152060.6700 6288496.6160 27245845.4900 25907324.6900 3838646.4370 30196792.5400 20889789.4700 47400118.3200 10764939.4200 22800020.8700 26133057.8000 16703554.2700 28974007.8700 19732533.3600 26998949.9400 21356559.7700 25237187.5600 21596125.4100 28373658.5600 D-Erythro-sphingosine 1-phosphate Sphingosine 1-phosphate 8645346.2470 10017362.8600 8785616.6390 1741722.5130 13292596.8300 14390930.9000 7670762.3140 7920575.5050 6951846.3910 6559665.4270 8958510.9180 7138604.9230 6958495.6040 5727055.8840 5426822.9250 12243436.7700 2474217.6670 10643384 6009673.3740 8678651.1890 10512598.1400 9804945.3590 7139420.3230 9924811.3530 3307863.8740 6421396.9170 4041272.9950 5360774.7120 4231417.2410 4352582.1820 6591934.5880 6012471.9250 9030151.2990 10507904.4100 4143551.2200 10650811.6800 7308077.7540 4970626.3260 6875009.2180 7657487.4750 6925432.9490 9005782.8140 19749916 10257738.2300 6684337.5470 11082652.1000 6933325.8420 9059943.7150 10395394.5100 10073671.7700 2217984.2000 9725354.8400 7213693.7540 5314460.7180 5493121.5070 5812205.1290 5245265.9550 2827679.4530 3943056.1010 5003571.7960 3618043.2170 9178745.4020 5630930.0220 11043036.8700 9897503.4070 7035594.2890 10074917.8900 2911157.2950 7374114.0680 8903918.2470 5218340.2530 3934338.1540 8871718.1150 9714622.8800 7278649.3630 6138934.0890 7125032.6850 8352366.5160 6145465.2130 6541114.8150 7283131.1240 D-Fructose Fructose 79833515.8400 48471358.3300 21005186.1200 296232574.6000 45943030.7700 22638779.1800 29075112.4800 159966106.4000 5150770.5650 13331635.2700 16058225.8100 27941325.2100 50513397.1800 4299047.1380 4961067.8880 40200156.4000 7173051.3520 19810149.2100 69044487.1700 35614863.6700 337989739.3000 26196016.7200 29905796.3600 53715560.0200 43770220.2500 4997775.3060 51759091.0300 4483120.2370 4271669.6530 19938939.3300 10993663.8200 100590669 219650465.8000 19676788.1200 75434995.2900 21767826.1300 16218688.4200 6906463.1560 61942178.4100 7073646.2790 3672415.0710 5420468.3500 18967568.1900 27565531.0900 84678843.1700 78354851.6300 84099313.5600 13962376.6000 7921306.4170 15101628.3400 5833705.4490 14165171.5700 8510561.1850 187806372.4000 146954655.3000 31945002.9800 3469844.5120 22632552.6600 10650097.0500 79030777.1200 58848399.8600 28230422.9800 4542921.6600 88575975.3300 7671245.3770 8544696.8370 4005854.0970 43760964.1500 30851234.1500 39375938.2400 71486548.9400 11516816.5400 236174079.5000 20118844.3600 61030074.0800 58883694.2200 53571466.2600 56487611.7100 58673054.2700 56253649.4400 61005020.1300 D-Glucose Glucose 478759704.2000 213572908 347611200.9000 343495548.7000 304799889.8000 262676814.5000 244223534.3000 381016210.4000 785894781.5000 508992663.2000 461396351.3000 564687389.7000 275540113.9000 830844291.8000 685651037.5000 321400529.3000 401720766.8000 273839837.6000 994700392 256021242.8000 335569024.2000 246543158.3000 331324219.2000 340571620.4000 265752471.3000 1016506520 794590424.6000 741703721.2000 854825679.7000 274117596.7000 346266209.6000 252655922.2000 371495370.4000 369430614.6000 355780731 219283375.5000 497652450.1000 215084629 749464833.9000 563283567.4000 901069114.8000 1070102444 375679432.3000 74746444.7800 209131128.9000 292675064.6000 253245757.9000 408634962.2000 313518684.5000 367512484.5000 837313443.7000 298731073.6000 307973397.6000 416335892.6000 416321092.9000 580079193 915656981.6000 352762398.8000 240564106 482551958.1000 508930964.6000 241118612.3000 292406580.2000 177776477.3000 706523319.3000 247360846.7000 868531257.9000 207927455.4000 322886930.9000 377579064 73649423.4700 302898986.6000 123415370 118389390.8000 439178381 472980790.9000 407959600.8000 321032097.5000 345540479.1000 485833805.5000 447451710.5000 Diaminopimelic acid Diaminopimelic acid 7196143.2500 6247444.5500 3067563.7550 27754587.4300 4420324.4260 4865661.4500 5736517.1080 5120999.5300 5620019.3900 5001479.8050 6212555.9360 3304020.0690 3654713.4520 4465156.8060 3089853.5110 9700979.4140 5358009.1580 4691449.9120 2982241.1280 4766653.0400 5846498.9120 5444453.3770 5456000.2350 5830102.0460 8948492.9210 3990064.6330 4985082.3550 2695658.8420 4758865.6850 11220336.7700 4145296.3880 6407343.0630 7799066.5610 4974254.8500 4065117.3390 5329336.3760 7808014.3600 5502382.9530 4454692.1660 3308740.8250 3005898.8260 5691190.5500 6914026.6390 6007877.4620 5546036.5010 5899562.7670 5180134.2400 4322591.6930 11713334.6500 4086534.4500 4156217.7160 4163922.7530 5290073.2390 5052493.0620 5423032.6390 9965567.5690 3282712.0570 5910185.4700 4972736.9050 7832065.6670 6948480.7930 5716899.5370 4572031.7710 5909680.5110 4275204.5720 5200082.9050 4482143.3280 8622214.7720 8131418.6620 4851709.8110 6706920.5750 6265123.3500 7414203.9520 6495176.6930 6569742.4890 5312723.0550 5147169.0840 5199080.4970 5118959.8800 6830944.2260 5646356.8700 Dimethylglycine Dimethylglycine 900384248.1000 686516540 538464965 524496257.1000 411295289.6000 480677819.9000 646645264.8000 461306725.7000 537914728.9000 490914252.2000 825821531.6000 906276303.2000 722670580.8000 316180267.5000 448394013 916831327.1000 719351323.7000 712726316.7000 333995979.6000 592448174.3000 698543470.5000 562946601.2000 385997342.2000 570614976.7000 500824278.9000 712514449.4000 422523385.4000 369894461.2000 285273900.3000 646259020.1000 420573758.8000 1113253649 1084265552 410118040 349861849.2000 356975696.7000 376090492.8000 419213347 278994654.1000 205099831.6000 676836116.2000 424742286.6000 765854007.5000 389092326.2000 819447023.1000 709252811.6000 432127221.8000 471592976.8000 608165297.1000 638187463.7000 335111378.5000 758570576.2000 709504513.2000 593660747.2000 394539770.5000 1182732537 455702881.6000 470383221.1000 398447691.9000 558836844.1000 555185388.9000 669408107.5000 798399009.9000 284597992.7000 558439242.6000 556348453.7000 778116023.2000 746398665.2000 663443848.1000 484467498.6000 372554760.5000 376950403.1000 734664417 351776624.4000 512971682.1000 628850311.2000 452547096.5000 505468348.6000 671447375.2000 495006940.8000 523240336.1000 DL-3-Aminoisobutyric acid 3-Aminoisobutanoic acid 8175490.0550 8490818.4190 10523540.2900 8946104.5790 10493969.2900 16204027.9400 13916195.2600 7927722.3500 5895020.5870 20670777.1100 9836356.6710 12884779.6800 15857287.5900 9166316.4490 11147504.1700 14299417.1300 14562511.5500 19822455.6500 9771786.1270 12560891.7100 16305918.7100 21246207.4800 14456752.9700 11843921.2300 9219005.3990 9995832.9870 7912167.9210 15603789.8500 6405161.7230 11404988.1700 22787206.4900 19969067.8600 10335668.0700 20486283.1800 13834200.8300 19625832.3000 23130928.7400 19402735.4400 9503518.5930 6210004.4660 9960563.0100 10739578.6200 13347789.2500 20558389.3800 12985138.7200 9196884.4840 16167617.3900 8681994.7320 17869334.1300 15520272.2600 10025389.6900 14956316.3000 15868215.5800 14342487.5800 8503472.6720 15136923.0500 7659154.8890 11116669.6700 11931920.1200 8660711.7470 9982134.2920 23540068.9800 13776449.6400 21635034.2200 10205724.6400 18143104.5100 3675425.0530 18267727.2600 19927062.1800 25424231.3400 11318484.1000 18721552.8500 14904060.2900 12194539.2600 10777350.3600 14256502.0100 12303188.8400 12402923.6500 10936317.2000 12085995.0200 12585083.1600 DL-4-Hydroxyphenyllactic acid Hydroxyphenyllactic acid 82810006.0500 36505772.1000 48003588.6400 30994092.2600 26576347.8700 46219818.0100 29021444.1700 35331735.2900 47513812.3000 46662248.2000 40714507.5300 154608995.1000 67346107.5700 23386837.8400 29718469.9600 31254593.8300 54043136.7900 48977833.2300 31748361.2200 64445161.8400 39019500.7000 57825806.8800 59186270.6800 27919718.2300 36971077.4700 38405378.9200 44098672.5000 40505502.0800 29860583.0800 91272374.4900 48233558.1600 35627192.8700 76940342.9500 113598480 98886784.8700 78415111 106906105.7000 32725675.8700 29538782.5300 38576092.6800 39863200.9000 24236220.9900 44381003.9800 50154117.0500 60108435.1400 46647521.2700 61092225.8700 34504482.5300 63147902.7600 95943592.4500 49728392.0500 36213492.4600 63128649.5700 53431759.6000 60980894.8500 36883740.9300 31118595.2500 40128187.4900 33381352.2000 45677882.3300 43944171.9700 57248949.3100 39111672.1400 32544519.9400 29835816.7900 65621007.1400 22375820.4700 36139805.7000 43443463.9600 44099103.5200 36664089.0400 60233999.0900 45681319.3000 44180346.1000 47707252.0100 43104767.4200 43247023.7400 45782830.5400 45825246.9500 41594447.1900 47697661.5400 DL-Stachydrine Stachydrine 1810092213 21275900733 444648665.6000 5867852648 6530503871 33176631.7200 1387276950 9419975508 1561714012 417163873.6000 220192087.5000 3125116900 444210534.5000 11039116439 419879801.5000 1001517177 8636735188 1228248628 986998219.2000 3627244541 1488963176 6506583713 4583947794 2657602889 28735047926 2652882219 456157701.4000 191321963.6000 104441723.4000 6227699599 1744204348 13855213061 2610851146 927894730.3000 315274962.2000 194809572.6000 1000819159 635798449.8000 1442426710 8687233323 1242849407 2365924652 2034852033 111055814.7000 853868006.9000 1422968953 537940882.5000 2718718889 514780452.8000 83019789.9300 778434129.3000 2253223774 1048049526 1697866485 65963072.6200 1185761296 498791318.7000 1571637509 158535293.8000 355170887 1924728663 1128146238 3029654786 1982806103 272189553.3000 332688950 640593300.1000 11604251154 824384307.6000 129977139.7000 13312274941 347589127.9000 15788219803 496790278.1000 3559729979 3852789853 3479135537 3767823157 3698303546 3592343808 3638622816 DL-α-Aminocaprylic acid 3108192.7960 2306282.2760 2819242.6880 1054192.9330 4135317.9480 2870539.5440 2189271.4930 3003130.9130 5255430.7120 4811014.8500 5032051.8530 2385891.3190 3516378.9650 2868535.5620 5179368.1130 1693694.6480 1443615.9220 2293053.5020 3821752.5940 4034249.3300 9297996.5480 3937082.1440 944028.8390 4139051.2920 1483364.2800 8897631.4840 2690128.1510 1500462.5390 2310575.8470 1407011.3970 2474482.8180 4542916.9360 5326244.3250 2663368.5780 4397399.4870 1580479.5220 3443062.0010 6449174.0560 4247989.4010 3042489.0100 3352010.9720 3628374.8720 6110607.9130 1746934.4510 4178599.0020 1992431.7410 4449891.3580 5931809.5260 2254194.9590 751440.0630 2289214.3110 4832807.4650 2189922.0950 3652346.9530 1087907.3550 8289171.1900 1221789.5880 3096986.5810 1142995.2250 6810809.8870 7123627.5090 14719910.3800 4185762.3950 1939169.3090 1824416.7920 1884464.1200 3977569.4910 3815979.3420 7696194.4420 9730782.3020 3698066.8300 10914026.0500 4868086.9690 3340101.2930 3819195.3500 3891503.0490 3673029.8820 3982446.9420 3581441.2220 3546327.6130 4036002.4880 D-(-)-Mannitol Mannitol 14431267.8300 16365680.8400 8915534.0510 28176560.6100 8641309.4770 11315301.8200 8219973.9340 13352021.0600 27682748.2200 8868139.6870 10852562.2500 10666204.9900 17859569.0600 9370397.1920 7436632.9780 73199138.5000 11981403.8200 11653698.4500 4145888.7700 6511032.9290 21487722.1400 8483010.9020 8947519.6260 24263383.7700 9778060.2860 10949527.6800 36006089.9200 5220813.1350 14817535.1200 112402967.2000 28209370.2400 11001820.6300 27957974.5100 10723620 16866703.9600 47525344.5100 147128359 6369741.4550 8342333.5680 14736140.4300 3845445.4790 3940009.8720 12625460.6600 10777354 14686231.3900 22599379.2400 31963424.9300 13854201.3700 10900048.9300 7781325.6360 5543077.2290 8921890.9240 8857407.1840 20831870.8800 25424012.3900 51849519.8200 8147971.8740 9445203.2240 6419413.1250 11383779.3500 33722435.7100 9515502.1780 9484393.4720 12033089.4000 28956430.2600 12595114.9900 9357910.3330 24566629.0500 13942142.1900 7522717.3560 16235191.5300 13728019.2100 12479762.0700 16343855.7900 18941018.9500 18822760.1200 19404140.0400 18921884.8500 18570418.7000 18056372.4800 19606691.0800 D-Mannose Mannose 86584586.1000 48857587.7000 59392790.7900 48506896.9200 28026360.6800 41351962.0800 51427523.5600 2943682.2590 728416623.5000 2733103.6670 32948765.9000 3897303.2270 3777608.6010 365777235.2000 547071470.8000 2770570.8000 2646257.5690 26005732.0300 327958137.5000 25569266.2400 99544942.3800 35347864.5000 71611356.5000 45664603.7900 2214443.2890 381878177.6000 324248631.3000 437919559.6000 391060088 2459478.3060 1933041.1760 65981627.2300 98991637.9100 63207755.6700 1749097.1560 29255265.3400 3440118.1830 53991191.9000 327923450.5000 92849879.3400 384105636.5000 509862415.4000 1793385.1220 14838904.3500 43154364.1800 48973497.8600 49746842.0200 1840474.8190 2483860.9490 72431217.6400 575918552.2000 3222409.9280 72144402.9600 2021448.4680 76010386.1300 99773812.7700 456291938.2000 2038920.3000 36713301.1100 5642694.4070 1151031.0450 62068024.0500 1743824.7550 14933290.3900 431435964.5000 35055583.5200 393312231 40601413.3500 3031309.5530 1076619.0230 15137411.4400 1798007.7090 1445363.5430 32606713.9600 213486689.6000 191054532.6000 195979079.5000 219222692.9000 231223112.3000 185020460.3000 203936741.8000 Docosahexaenoic Acid Docosahexaenoic acid 11324133.8600 42546647.6800 54545972.5000 32366518.3700 37800339.7700 62824228.7000 34530148.5300 26074692.7500 6234263.4870 65250670.6600 84265959.5600 117079018.4000 48808162.8200 36559838.6000 15954049.4000 78898795.0100 92649749.9600 60256313.0500 26931125.2900 35493705.5500 37747446.5700 40199471.5500 66158593.6800 34769086.5600 11481698.4400 8806924.1190 12267922.7700 53664228.8200 71821779.8700 13007409.2400 36391069.9600 11966098.2000 57218239.3500 82542423.7900 21751551.7900 70520810.0600 19334150.9800 31162158.5000 8269804.7120 7672935.8820 36507171.4500 21574686.4000 33522977.1900 37638845.6400 17477184.4000 79067571.0800 15671778.9700 53073800.7200 60309131.2800 63162407.2300 20135645.5900 30427048.4300 45818108.5800 18769392.1100 15150275.5300 29205036.2600 114606816.1000 48328768.5200 37223334.1300 23830773.4000 44355900.1300 22061958.1600 43825632.5500 25514157.4700 17367314.7000 72280580.3600 14918736.9300 19507234.0800 21817301.1500 31618945.8400 88043481.3200 52331519.9100 32394818.5900 26048141.8100 38098282.1000 38629428 35592081.9300 42377161.5100 25992350.5200 41116074.8100 39347442.9100 Docosapentaenoic Acid Docosapentaenoic acid 5140015.9580 12694165.9800 38965651.6600 5367123.2490 23457602.4100 11091019.9500 17631251.8300 18811406.5800 2682889.8590 20380412.0100 36176822.2600 29581943.2300 12932156.6700 12867819.7700 8208505.6740 22964092.0400 36953422.2200 15601162.6700 11309707.5100 26295971.9700 17632458.9900 20771154.3600 19634918.0300 15258180.3700 3764960.2120 6894508.5300 3224146.4510 33575608.9100 33269415.2800 7607339.1940 35425528.3300 6346137.5440 17354507.5200 26949041.9900 18478842.1000 20038915.1400 7728492.1030 16229029.0700 5803606.3190 3921293.3710 9092841.2590 10245584.9400 6685577.7680 17638178.5200 7408724.1650 35933614.8600 10008830.4000 17270840.1900 27368633.7500 33111401.7100 12504831.8700 24864092.8900 28874782.8200 6258669.6200 4563707.5080 16872801.3300 42573975 10156370.1600 21190721.3900 6774324.3150 15279578.7700 20133873.1500 13785940.9000 6146008.6760 6303538.7340 47188110.4900 3062694.8480 7313904.8550 12838746.8700 20966178.5800 38885607.9200 16667260.2500 12887349.0100 24848321.2500 14013772.9200 15147721.0400 10741640.1400 18244485.2000 17074964.0100 11083552.8400 14291133.5900 Dodecanedioic acid Dodecanedioic acid 1987719.3860 2797905.8550 2421397.6280 3988510.0810 2566645.9900 1656040.6790 1346439.9940 1054497.2340 1401607.5960 2923383.7000 1759219.0440 1185370.8830 1454187.2940 1198331.8520 1577876.0050 933899.8729 822868.0802 2943517.7410 868195.1193 1447637.8050 2241519.8870 2173670.7380 18382253.7500 4468937.1590 1351452.6820 1174048.8910 1147785.8290 1449015.4600 5480722.2230 678940.5096 1411198.4800 1224004.9740 4317980.2900 2277614.3830 2165488.5710 1495579.7560 4831259.8800 2343266.5750 1232594.7730 1501179.3050 852462.4947 716427.5345 1374601.0480 1925686.3540 4234974.5240 2351876.0210 1165957.9490 2624561.5840 1807860.4350 2203890.3510 1801193.5230 1252922.7810 1542965.0200 2722189.4230 845709.8465 3098091.5230 1187597.6830 1862703.4760 2041152.3780 2639331.2870 2392321.8760 4962843.0770 1861700.9730 1551352.5350 1568444.0990 1299113.7960 747990.7396 978701.5392 2366152.5420 4327560.1520 1808352.1630 1419636.4800 2315180.5310 2869252.2790 1978956.9500 2186581.5320 2226763.6390 2047253.7320 2458142.7650 2046879.7500 1986898.5110 Dodecanoic acid Lauric acid 27509953.4400 119480058.7000 65670526.7000 528902742.6000 160810110.8000 73608934.8600 46447181.7300 18001451.8500 8243997.4350 31599654.2900 53839631.2300 32981349.6200 39389706.6600 29605581.1100 75759662.4600 20377734.5900 39666456.8800 76698082.7200 70008713.9700 110311188.5000 16818237.9500 41974880.1300 2073424454 118105142 22381875.4800 23856160.8100 7433069.2510 33022453.8900 152850397.9000 18844658.8100 70943907.3200 16814791.3400 50015269.1500 59823949.2400 182274925.9000 67733313.5600 303947948.3000 155871002.7000 26615823.9100 18809084.2500 28664101.3200 18543107.4600 37899847.0100 92099497.0900 180036722.3000 136202934.2000 12210225.6100 159902123.7000 42105050.4000 75843978.3800 24019989.0400 46061491.0400 61817290.0600 33093697.7000 8288204.8080 39460914.1300 68858200.6200 56636723 65537470.8200 133721695.2000 32291238.7500 46407872.6100 35574578.1200 32023232.7100 28096747.9200 105559374.3000 33269225.7500 20912487.2400 52366413.3100 74905138.6500 124609164.8000 81381159.7900 28922417.5000 80303667.9100 89906201.1900 100159452 93836109.0500 99430608.3900 94739710.4000 88064402.4200 97114452.7700 D-(-)-Quinic acid Quinic acid 16513237.6800 150494684 1481798.0860 39732980.2500 5109219.9850 3272172.8120 99113935.6200 235630531.5000 2929502.9280 25001038.6000 899010.2362 11089825.0100 161743035.3000 5326414.5290 3995894.9800 72920900.1200 12357952.5300 12792269.6200 91085638.3600 401220962 108817065.5000 120112030.7000 53550021.6800 1083191.3440 49766785.8100 2703002.3930 37001256.4000 11424132.3000 35357994.7600 44863322.8200 842636.9013 22456886.4400 344111131.1000 35213223.1400 247730369.9000 18786852.5400 6664079.2300 70518101.0300 6211401.7810 37970610.2800 5199349.2490 49204951.6300 8742616.0580 53811360.3200 301715735.2000 610162166.5000 357956096.1000 37948828.6900 6341051.1600 850709.4110 27009826.1400 594678483.8000 26007679.6200 4248451.5860 146831237.1000 3757859.0460 1070917.5200 55460665.6300 116056294.3000 3957818.1000 4344286.2520 77015615.6100 3800204.4920 60527833.0200 5156797.2030 24582534.5600 92659533.5100 23594621.2600 96397952.2100 2297984.7440 126145177.5000 70227449.2900 122194894.3000 3791504.8210 76545772.7500 74776244.2800 75547370.4600 68645449.8500 75270188.4800 69594025.9500 79542599.1300 D-Ribono-1_4-lactone 4901691.8630 3328150.8660 4028081.7190 7501934.2400 7010310.1520 3349840.7320 4499296.7810 2335736.9210 573613941.6000 1450304.9490 3622586.4580 3529661.6750 6027619.5740 326089622.5000 396083358.9000 1759688.8340 2599523.2770 3398263.6810 313801589.7000 4644466.0110 2401363.2140 4342963.8970 4240342.0230 1859140.5700 3822588.2750 369000353.6000 311106159.9000 370290158.4000 373845815.8000 1570046.4060 4875604.2690 2302478.7690 4113248.2730 3196006.5180 10761640.7500 4035286.8620 3826092.8250 2905793.7800 356104121.7000 377818878.5000 338407096.7000 376947228.1000 3263284.1580 1241507.4040 1188424.6130 2758058.8740 2265731.7980 3066634.6790 2108373.3860 2151161.0880 416278387.1000 558540.5543 2974936.8870 1456182.9140 1290475.0040 1737371.8040 332425104.2000 1998341.0050 4951789.2490 3003039.7500 3099011.0280 1865225.8880 5272055.9120 3123376.1080 438792951.4000 3637991.0770 357131076 8945161.8450 5739569.6720 1625743.0530 2968303.7080 4376058.2510 5806793.7740 2237346.7820 64262594.6500 70513286.2700 74959070.9800 72415153.6800 64117263.7500 60846696.1500 73723633.3800 D-Ribose 5-phosphate Ribose 5-phosphate 443814.8216 515195.9963 650209.6118 191420.3191 378690.6213 933625.1607 405431.3591 1152768.6540 2278889.3500 752736.2390 538061.1415 648228.1857 456325.0239 1538934.5830 2719159.6900 580470.7701 340483.0071 502017.2850 5004034.4650 165211.2372 1217813.4630 166654.7890 135752.9688 709653.6214 410707.8079 10980466.2800 677318.5795 4360635.9230 1465409.7770 755402.6814 632223.3487 1055613.3320 292552.4762 594490.6851 1234545.8880 364934.9820 397962.6092 402314.9954 4334348.5260 3356576.0810 3593207.8960 1660571.3230 536148.0256 870415.2395 896845.6979 433145.7085 611364.4984 535807.8886 394942.5112 506560.6717 386002.0468 325508.9158 514587.6466 686190.8873 371293.4419 411868.3197 2574050.1410 412496.9450 151033.9640 427196.1625 398137.0585 689328.3543 237272.3891 1331823.7890 1733609.3820 560508.4164 634149.3682 260839.7819 426887.9788 424252.1717 519168.9921 227493.0948 2168362.6950 290759.2622 540786.7896 520835.5501 595644.8931 604505.7101 552115.4815 529584.3051 586823.1099 D-Saccharic acid Glucaric acid 3588765.0180 5024695.9300 4443610.3700 429496.3398 1881723.9400 8177788.9330 3411571.2780 1216547.0300 11830149.8100 2686895.4380 2577928.1270 6202981.9080 2262006.1310 21255144.6300 11856753.7500 3152851.5750 5452833.8860 5253294.3610 8214216.3260 2401199.5880 7683750.8910 2112673.4790 2509235.9670 3666332.5800 8194126.4450 23441784.4700 15958628.8900 16043869.9700 21025477.3500 4144674.7790 1740978.4510 4583858.9400 628894.8753 5495424.1890 3316709.2060 3182425.0470 4265256.1380 5901151.5310 10183697.6200 32654074.1500 41087149.1000 11866197.5200 2699818.2240 1646741.6680 2898846.6240 3228106.8510 25165959.5200 2115716.4370 1039553.7410 2741835.9460 34748109.5200 873017.1846 8477831.4780 3532152.3310 1318823.3090 9889705.2430 13526081.1300 2129110.3030 4982052.2350 5627720.2610 6006082.9960 2998917.5100 1250058.3380 9810969.5900 25125023.8400 1299463.0840 12252989.5700 270378.6519 306748.8691 2273053.7300 331859.8781 438565.3039 2233404.7100 4671259.2480 11137500.0700 5293499.3150 11231546.7700 9771408.8300 9041853.4020 8874706.7060 9364531.3900 D-δ-Tocopherol 7719653.6190 9485159.9330 5560178.3910 3445846.8280 3261518.7300 11081746.9800 8496678.4620 8158187.2410 8688106.1390 14218239.3600 18534137.2500 11203343.1100 9692968.0980 6169367.5930 7716968.3810 2916872.4360 7704784.6370 9541490.4340 4852902.1190 7066588.0880 11629681.6100 4693620.7740 6692672.2170 12509522.4900 5011315.9360 8747813.5610 4768142.9220 7690070.8630 3549801.3440 1277817.8440 10222294.8300 5586194.4850 4923500.6510 12843482.8000 6702306.8410 6873899.3580 6099714.0820 8736245.2940 4463899.2390 7624740.6200 7826816.4940 9001896.4620 6924429.5020 8485076.9470 6791562.0560 3550129.2740 14420055.6700 21474286.3000 2698274.8430 11463248.8200 7316567.1270 5324480.8210 7181960.7070 6811897.5030 2693956.5980 9903420.4870 4132705.2330 7984660.6600 4107830.2360 8595280.8970 12087709.6000 11936311.4800 8425319.8850 3878874.6780 4438482.8690 9042216.4520 6544972.7320 2966115.6650 4595453.1760 7103208.3920 5601110.8040 5374096.0380 6996600.2530 2930933.4880 5935496.5940 6228777.5560 6255204.1320 5961315.3690 7764243.8720 6294367.7240 5308001.4060 Ecgonine Ecgonine 23078961.8000 12954382.2300 29829633.8700 37217894.3200 69240377.7900 18435834.4800 51164699.9400 25269975.6900 25112898.2300 58635350.8900 46947555.9600 26966511.2300 32146914.4900 40895794.9000 15278479.4000 15254294.0100 27436183.6900 52923777.7400 30560425.2900 23081989.2400 56117013.6000 55917514.7500 51266541.3800 73654379.1500 66902774.7500 29554767.9700 33626321.9100 29027225.3500 31062380.0900 58328427.1800 78875925.4700 24763436.7200 37380491.8900 37694320.9900 34254154.0100 39894810.5700 52003071.5200 21133680.8900 21053151.2300 12146929.0400 27586191.9600 47346789.4500 32564061.3300 14568175.2100 41297538.3600 40361705.3500 98284353.6100 73700944.7900 38512226.5400 34905839.5800 28995620.6900 25902649.6300 49632548.4000 43175501.4000 40984173.4600 540105085.6000 24597156.7800 23024020.5200 58316797.9900 35252284.9700 68052686.8800 40717702.9100 39807512.6800 55227847.8000 39622903.7500 70402493.3600 15750729.4400 198552550.4000 13657549.1200 112837250.8000 18802748.2600 27967967.3000 84862449.6800 41939554.4200 40574977.6200 50106167.0300 42778367.3900 44522169.7200 48213108.8700 46754505.1900 40555710.8900 Eicosapentaenoic Acid Eicosapentaenoic acid 1985582.8870 3170875.2350 7774249.1350 4998116.2930 4680069.7450 9513531.7960 8846284.9770 9764774.8060 1159182.4900 10258475.0400 6367220.8590 12164645.9100 4394060.8930 6099689.5260 864423.1913 7797130.9500 24917899.6100 6307187.8980 4837242.3020 7068633.6360 13094367 4236774.3000 18018840.7400 7143980.8180 4514233.5020 2733540.0010 2121941.8070 10243523.2500 15465267.5600 5906190.2550 10265995.2200 3177105.6290 6953818.5800 14433465.4800 8205056.7870 10540484.0600 7749204.6990 4710162.7080 2523841.9930 3290736.5300 5454455.2620 4927540.0200 4650912.0780 9045138.1990 3229986.0060 9816301.4950 4786433.8940 5897231.3630 9441800.5890 8653500.2230 2425219.3710 5749798.4280 17367581.7700 4936987.6600 5396054.1800 7523602.8920 12637344.7800 11714268.3100 7583678.1780 7683649.7140 15202616.6000 6322098.8390 6378495.0470 5207407.3520 1975085.7500 11841613.3300 1405002.2370 11163335.8100 4286785.9350 5008597.5600 20265021.0900 9202488.9640 3003726.9520 20861595.9000 7435141.1290 7359988.4880 6922827.8490 8275072.9500 7152967.9800 7160361.7780 7424877.8510 Ethylmalonic acid Ethylmalonic acid 5397876.5360 3043177.9450 10554388.6800 3744097.8300 1573820.6980 4891055.3070 4930566.0910 5739438.2610 24608837.5900 5895249.8280 4586120.5140 4321628.7280 4258250.5220 10509986.7000 11443701.1300 3811943.5060 8449063.2340 3230087.1290 16471409.9000 1832627.8980 3456788.9940 2177523.9760 2631126.7790 3299465.9410 5777066.4430 13550251.5400 11307837.9800 21977216.9100 11795315.0400 9436403.2510 3003163.7570 4547390.3230 4506854.3710 3154836.5660 2777190.5330 3461133.3140 4464089.6260 4826801.8360 8764181.1620 17832810.9200 24231263.3200 10176585.7200 5676923.9720 3196607.3750 3480218.9530 5590856.0470 3633255.5730 2594292.7850 5969031.8620 4832084.3870 30656847.1100 1820644.4310 3684554.5640 7403534.5460 16102121.0600 7662643.8640 14856621.4900 3606516.1020 2767954.3580 3326222.0930 5989789.0950 4383156.3150 1979198.7630 4172619.6380 22833126.5400 3640716.8530 8784040.8780 2963951.6690 2600477.7870 3898396.4050 3361064.3230 3645039.8830 4755852.5040 2775529.3840 6262814.5410 7969215.6320 8116663.6640 6938522.1300 6670510.2270 6299607.2310 7782439.1510 Gamma-Aminobutyric acid gamma-Aminobutyric acid 7518510.0790 8683727.9480 41596910.4600 20812241.7800 18057076.6100 7243159.3210 3823960.0460 6263514.9560 23625940.1900 8397856.7020 6248227.6440 4392136.4260 2624993.8300 13909341.2400 15763633.0300 4335333.9500 2871233.7360 5342820.4620 17735764.4500 38347176.5500 6943859.7400 34735272.8000 35005633.7000 9483610.6330 6988423.7910 32997884.7100 19168354.2700 22661118.7600 18115186.7300 3458375.5760 35611692.7000 1489618.0470 3328697.7230 7991919.4910 46293963.1300 7515197.3450 10144724.8600 4385569.3540 22912263.7600 16127492.9500 16556624.4700 20918117.4400 6727544.8680 11108246.4500 6022346.0400 6546898.3200 3733563.7240 7537338.5290 4070695.0700 7239857.9870 5102178.4530 41707086.8300 6828430.3790 8878953.8750 6070641.9590 12120669.2100 12803563.3400 9522516.8980 23840371.9300 11693060.9600 8767146.2210 13568876.2500 28685207.7900 5319035.6050 16655302.5300 9211182.4080 11257748.7800 30467397.6700 21599557.7600 6631515.7530 31023193.2500 20899065.5800 18559866.2100 40738886.4500 6337286.7810 9162346.7190 8961662.3330 6009155.7630 6461223.8000 6639075.8970 8638330.9030 Gluconic acid Gluconic acid 186769250.7000 94263852.6700 134128074.8000 248929579.7000 115509178 162916032 137435189.5000 121992147.1000 2308028568 122025518.1000 144811975.8000 74558643.6200 89338035.0300 1790065775 1699854428 61049060.9100 78675620.9100 134793674 1810629148 84749133.4200 189897692.7000 57257515.2500 132924879.4000 144283382.1000 129851977.2000 2129522793 2043044698 2427124534 2079751529 46940449.6200 82511092.6200 105083346.6000 152247846.4000 104821116 85165131.5500 116704173.3000 165785299.5000 46542984.5000 1566249787 2454900382 2341788285 1816668542 132854968.4000 64785062.6300 74198760.8900 122743528.7000 107650024.1000 184860205.9000 56310961.6200 172420556.6000 2561964312 97198373.7500 140759763.1000 111903612.5000 121271974.5000 398777942.4000 1775057606 106705584.2000 61527128.1700 155796518.7000 95772875.0800 103332810.3000 83813864.6700 81649881.8600 2307121892 56959979.4300 1750876059 115874440.6000 108327614.4000 57958608.1500 62124342.0500 85048032.4100 59152039.7700 93570795.1500 759138249.3000 713423536.8000 743223328.5000 766180121.1000 719055733.9000 735976909.1000 747004026.2000 Glycerol 3-phosphate sn-Glycero-3-phosphate 677953.2893 351037.5736 4878397.6280 3367871.0850 5008594.7550 689750.0232 803802.2659 1519767.5620 1545083.2300 737550.9393 701424.5090 562944.9602 850822.3872 2181348.5190 1657469.9180 510492.5265 1258615.9210 872293.9705 2698356.1950 3794918.8370 775139.4804 9292637.3610 4205169.2740 638715.6291 273638.6470 1802216.9400 2661214.4010 1150309.6970 2196154.3050 699910.8484 3461875.3260 652143.9039 630399.1955 588494.3312 4427871.3470 1253533.7990 1052411.7690 936155.9554 1884278.0990 3254167.2000 2996602.8160 2562454.1490 316301.0758 364072.7143 362451.9662 376254.3298 2163177.1060 697809.8804 571516.1756 512327.1921 2170204.7440 4369186.3400 839001.3520 629753.7321 315787.9598 302328.5746 1987237.4110 1980440.5700 3908029.3650 523138.4115 717503.9544 705081.5485 2981852.9810 772142.5763 1914649.9390 497550.0705 3685387.7660 8169847.0480 9231022.4290 728162.3595 4400682.7370 4897226.9860 5210618.0720 6163549.5350 354026.0572 621906.6593 667842.6883 363935.3157 369560.9563 543276.1322 446732.3917 Glycerophospho-N-palmitoyl ethanolamine Glycerophospho-N-palmitoyl ethanolamine 20486266.5500 17622475.9400 17996543.4900 14225814.4500 5478979.5960 10167587.2900 11189402.5200 11614906 6757395.3810 6078773.5830 9763123.4270 6765110.5130 13620605.4800 6008716.2110 3443605.2540 18507463.0200 17540595.3400 11844040.4300 5021379 9145288.7370 15743571.7700 12203923.8200 10106422.6100 10607147.5800 13553587.0400 9971937.8570 9743308.6210 7868164.4800 7159019.1040 19011422.6700 7250915.6680 8863298.9690 10973604.4800 11525000.6900 5970861.9600 9074669.9890 6196299.9460 11489977.0900 8169969.6360 7434267.7040 6021919.0390 5078273.4960 20259216.8900 7302820.4190 14612348.6000 13917852 5534122.9820 14904300.4300 9545971.2200 9359712.3650 6130611.5380 10942082.9200 10303932.7500 10095510.2700 14578637.2500 6223358.5400 11567724.0800 18466631.2600 4786895.1190 9982962.7170 12629799.3500 7272514.5440 7784179.1910 13665931.7800 12321600.7200 9427248.5270 9308713.4250 12650030.9400 14378628.5100 6876044.4400 10268261.3700 13009858.3000 9744945.7420 9524399.3810 9933763.2650 10219724.7200 10239484.7300 12573187.4600 10395962.5700 10518612.2300 9645471.3900 Glycine Glycine 56388748.3300 35470717.6100 121265381.6000 174825499.5000 138078956.4000 32059370.9900 83502077.7600 23954446.7200 102326698.3000 16246216.9500 35373906.0300 41960624.1200 72146307.2200 59004849.8400 96290951.9900 54475120.5300 74818771.4300 54149026.3300 86071618.5800 91484039.9000 47553828.7700 99277783.7900 93685570.2300 51722810.6800 55137468.1600 123443218.9000 87629580.5700 89269961.8700 95151736.0500 25486412.8200 117126432.1000 38968816.1700 46078771.0300 35206174.6300 88607290.8700 46833726.5000 41706319.8700 59366440.6200 139694703.5000 114414106.3000 85472452.4300 66787553.1600 70416397.6600 35552976.2300 32180476.4100 41628879.8900 43067195.0700 57685671.3700 81219809.1400 55893167.9100 99772037.2700 110568801.2000 52594309.9100 33925762.1900 127907581.6000 78350635.0900 101559410.3000 45957206.9100 136285847.7000 37115153.6400 39009550.1600 39079552.4800 102866147.7000 40843431.9000 121605093.3000 34370751.5400 111947724 154876250.9000 171202856 84957886.4100 152530495.8000 178380584 133656349.2000 116891177.3000 43879004.5000 49313425.4000 47098508.1000 42160773.3200 47195384.3800 52277043.1300 41265328.2700 Glycocholic acid Glycocholic acid 15653650.5000 7699202.6190 1502201.5570 3871587.3390 662228.2677 1265050.1060 4650914.8730 21488127.5600 8765732.4670 5480883.6730 875615.8818 138447626 1913489.7890 1443077.8180 9925783.5830 1126089.2350 19577884.2200 1824494.4620 5883321.0080 1867099.0150 4323207.6750 38375172.9500 2136299.6300 15740352.8200 16669670.6300 4340956.6490 2081774.3570 1317754.1560 258902.2679 22569309.6100 1994205.6640 2735789.0500 12459191.1500 24057148.3200 4973324.4540 8126289.1220 10369988.1400 973837.9474 3290789.9890 4774420.6580 2930994.1920 403522.6178 4306438.0580 803254.8204 3747428.3450 4542256.2140 5233431.5140 5761014.3530 5945370.9780 17389604.7700 6082015.6710 435282.8066 1659259.7280 27624248.8400 1409802.0100 6244427.5670 1259771.0850 6769278.2480 7862699.6370 8016743.9810 6315454.0190 3033839.7570 2810411.3700 3185660.5030 5719546.3340 1586170.2070 2465274.2200 1827723.2970 1231157.7410 5980614.4280 5925717.5070 1531764.4150 3073919.6070 5422498.6880 8066003.4870 6541113.9130 8470994.8060 6165241.6610 7002605.7280 8137328.1060 7436281.2710 Glycolic acid Glycolic acid 9110215676 6780050133 4759633011 5039102030 6941299415 8817678524 7244356981 8017824469 5510764863 7266743538 8985388741 4194581576 6931324992 6286566077 5576243419 7177608381 9073443865 6648307637 4523369307 6472487376 7316474539 6589460676 6920805578 9955368569 7317856440 4184818890 6368950122 4538476908 5512126749 4826296474 7434746190 6539868084 4969589687 5027044025 6877836872 9511735073 4751079224 6982598091 5041965850 5193936767 6160869525 6609386999 6754172141 6671858493 3984723628 8245590521 8127960459 6039782384 6492311164 6380079274 5270402018 4093078460 88315525.9700 4568745198 8137154542 4862969988 7744793108 7202222906 10904805050 8757651379 4473231978 6867033434 7604651456 8719405077 5418217891 7825978272 3501452802 7298649686 6227203400 5728655038 5878774296 6925594034 4817451881 6744803421 6485387051 7330542205 5222182474 3767872633 6463575436 6261390497 6766175372 Glycoursodeoxycholic acid Glycoursodeoxycholic acid 26784742.3000 39862640.1900 18788198 16197442.2000 4892051.9080 19295764.9400 43029744.7700 52530366.6700 39695844.9400 51051637.6000 8286442.0650 604616556.9000 18959506.0800 9892304.4530 54644679.5900 18782865.1600 33899933.5200 8205167.6760 71131388.3400 6275521.5450 28406948.1000 241818269 9285523.5010 42724918.1700 80249315.6700 43912514.3700 27011991.3400 1484764.2220 3718250.8490 132046911.7000 10670062.9200 5502789.1630 72071959.2500 63538069.2600 89764857.3600 5835476.6250 61432894.7500 895769.3591 29595875.1600 52370528.5300 10687011.8300 884958.6887 19586840.3400 16544096.2200 48129736.8400 19428629.6400 36151134.8800 34691435.6800 29470644.5400 98914533.5900 27426985.7600 1613449.3830 7980716.6450 168900500 50758653.1400 55349725.8900 11892092.4800 56809744.2500 10386225.6300 46365445.8500 47508394.9100 30169644.3000 28261217.9900 39134716.2700 42770156.8900 3520254.6350 17307937.3900 15726458.0500 3582110.9770 24751909.4200 38372756.5700 11453195.9500 22501635.1100 27680937.8300 30659922.9500 45615801.3000 49365563.1000 41631961.5800 41337908.3300 40553116.1300 37216115.6000 Glycylproline Gly-Pro 193970083.4000 130494961.7000 410965.7587 265340.9851 371003.8878 182966505.5000 126831208.3000 255179561.2000 230070.7337 142516647.3000 180799743.7000 198872177.8000 171894121.9000 241881.6120 148139.1940 2075070.2850 431649770.3000 119023888.7000 238889.9083 302067.9024 194533389.7000 287247.1897 284155.4398 7898935.6320 98926195.3900 587710.3614 235706.4701 183831.5738 218673.1389 132024672 334023.2181 86506595.1700 134838928.2000 202537285.6000 359680.2717 136276106.9000 124044820.1000 113439314.3000 193442.4270 190679.4119 183401.6504 173041.4801 104466960.7000 85566534.9000 76147792.8600 18629577.0800 5621669.0300 283531483.8000 119370628.5000 169081660 183648.1972 287110.5079 238964217.9000 206301612.8000 154735521.4000 143747672.8000 233323.8390 17222289.8800 222029.9186 145314997.3000 147062523.7000 141761966.1000 262717.5778 307994383 159187.2702 173391171.7000 179935.6092 248941.9817 217218.7855 140147193.7000 339547.0213 268792.3997 334000.5353 364215.4271 64357121.8200 69079180.5600 64864691.1600 65707381.7900 63380941.0600 66824997.0600 65862151.7500 Glyoxylic acid Glyoxylic acid 22072554.1600 13866915.1600 17714866.0300 19304240.5900 15593800.5300 13741772.0400 14910466.8700 17465264.9600 59262963.9500 24010055.3400 17992808.5600 28876850.2500 14117317.3100 58605731.1000 54765542.1300 20737264.5600 20179114.0400 21548842.5700 64701590.8800 12507929.9300 18316552.6600 10706063.0400 18315656.6400 11282841.6900 15125380.5400 65734548.2700 58381953 60587390.9200 64076048.6200 12773923.9300 12754123.9700 15472382.2900 18719171.7500 12657157.4100 17759990.9900 11363066.4200 24815007.7700 13346542.2000 62433824.6700 75664148.3200 58806364.4100 46034486.4800 18689727.2300 4395383.1160 8296211.3640 12037642.3000 14233109.0400 16991981.8000 12955351.8200 20758838.1800 55102633.7100 12310881.8000 17073193.5000 32039950.4400 22943734.4700 37420151.7000 62666859.5700 17243475.5100 9843287.9720 23482308.0200 21373561.6600 15450916.0100 12257490.3900 6442124.1910 62151847.8300 12324420.3400 59106323.1400 9903796.8830 15537138.8200 21153637.1800 3098714.8190 10773007.0200 4481323.3170 5460221.9620 27874971.4600 30341159.3700 30450982 25997411.7800 39590867.2600 25462828.1500 28020999.6400 Guvacoline Guvacoline 13777875.3500 32029400.8400 10070941.7300 5501150.3110 89300243.4800 10793576.6900 21292258.3600 10427602.9900 8234241.6160 25777877.7700 12153518.2100 5572364.2130 2580012.4540 6671130.5080 4673481.9410 81617027.3500 11356692.9400 13625717.7000 8874354.2010 18423468.0700 72267620.6700 122693535.8000 21334643.8800 6804933.2180 75362177.4300 18376156.0700 44142179.7800 22269498.8800 8260343.9790 5471431.5790 50996172.5800 13797843.9300 6543681.9140 10376536.5100 48066800.7000 30916087.2400 9311884.7230 13648260.7200 2919617.5970 4848543.2390 7805717.4810 16158281.4300 24174793.3900 26855927.2900 119172499.9000 14347501.5000 56215670.3600 11962031.0900 34686819.9100 7505846.8760 5189020.3410 26486647.0600 11066020 3491947.7290 210505456.7000 17041358.3800 10548937.4000 8461788.4990 54806964.4000 12589270.6900 12326302.0200 54025132.7500 12247194.9500 81627538.9800 80794289.2700 62852707.1700 27853602.8500 33408078.5600 181923974 5763376.2310 7164415.4800 75206175.4900 5559799.2450 98032560.9000 27657578.8500 27438515.6300 24918159.5700 29404241.2400 25163245.7300 24239530.4300 29682195.2900 Heavy Arginine 362303393 316288077.1000 343233960.7000 316541565.1000 387863898.9000 366079824.4000 379682875.6000 286756869.8000 349528327.2000 389261776 413704580.7000 366216324.6000 501996912.6000 284012216.8000 217491110.9000 376372861.3000 388456494.1000 424011105.6000 278598290.7000 398125433.9000 494228159 265386858.3000 297422353.1000 604239553.9000 274729989.4000 288465655 309447448.7000 339586728 296380998.7000 296231295.9000 307113618.1000 310400141.5000 368073260.3000 379358671.1000 341793195.1000 354937877.8000 377147649.1000 251636627.3000 321894115.3000 277636430.8000 283349242.1000 324589218.3000 481828799 327581175.2000 470705052.8000 463696298.7000 315010077 482761802.9000 425734950.2000 459849037 294211577.9000 441228167 490279224.4000 339676968 282462421.7000 308645376.1000 422548923 312775889.1000 389767007.6000 532496045.3000 378964157.7000 412002817.7000 419892094.4000 514453425 287545770.9000 528238149 345020546.9000 270750561.6000 417023428.6000 449989699.2000 287200495.5000 421398864 361498665.3000 386843229.8000 326370200.4000 302890124.5000 365267766.4000 363321488.8000 329995455.6000 322935312 326456100.1000 Heavy Aspartic Acid 6767003.2000 6587879.0470 21477265.5400 23449861.9300 23422762.2800 5326864.2690 6741956.5010 3169844.0870 23336523.7600 5288476.4850 6955457.0790 3748263.0040 6705110.2770 23256432.4900 14910953.1600 5410755.0960 6666558.9540 8184029.7110 22406409.6000 16820101.4600 5693292.4330 12980315.6300 18045970.4900 6089825.2490 5196992.1430 21746779.0200 19761590.2300 22714376.6900 22170474.4300 3247720.2160 25999953.2400 4407130.1870 5884541.2650 5203021.6340 23193086.4200 5366497.4070 6569770.1610 4385196.4500 19380865.2700 17930801.1900 18584691.2100 20440164.3500 6103875.3930 5674083.7590 4035118.0870 5527923.8890 6015515.0730 6009788.7100 5716649.5080 5436949.6070 25995289.6100 23782680.8000 7091854.2150 4060492.9660 4512985.3920 6110893.8750 30406288.2800 7107000.5310 27148621.4500 7210473.4020 6575700.7440 4570237.9870 33046392.1500 5237449.3360 19487986.7500 4371333.1450 25549843.3000 22935775.6300 25405373.5200 6450126.6380 13269490.1600 28364486.0100 14531912.4400 21301800.8600 5502710.8350 5136667.1410 4271210.2560 5424316.2340 5332065.7350 4869712.9310 5278926.8040 Heavy Cystine 5807380.0320 2749343.1200 14537484.6000 19257931.8200 19648491.3700 5138558.2640 6019430.9870 3293793.0820 10715621.7400 3499095.3620 5566111.1180 4223020.2030 6865493.6120 9644347.9710 9344113.1510 2623113.2990 4168291.9340 6132628.2050 10632742.7800 15352060.6300 7190168.1040 9771217.7460 14202467.1600 4106168.2900 4100906.0050 11787796.5400 11635098.9700 11407066.0900 12206841.3100 5290114.5480 15637569.0500 2255201.1330 4906112.7010 3351202.2640 15016880.9500 4632671.6130 6649458.8350 4913931.5130 11098140.5200 9442340.6210 10236830.8900 11357732.9300 2986817.4960 3757817.6070 2953863.2470 5688111.7620 5237535.7350 7298810.0700 5817210.1930 8518590.5370 12043536.2500 16148041.3200 7029480.1620 4468763.4600 6225600.9530 6051118.3140 12646882.5500 7767255.2270 20528209.0800 7071204.4370 6243863.7600 6123043.1490 24189908.3800 2308337.4400 10867243.3000 4062456.4990 14108685.4600 18472095.9800 19770318.8300 5061438.5280 10339585.1800 24349121.3500 13098764.5500 15708778.1400 4213440.4820 4977315.9470 4699434.7550 2877072.2750 6473014.2270 5184657.3450 3558353.1740 Heavy Glutamate 18117356.3500 14582826.9000 26588632.4400 25992925.3200 26029182.6400 19173674.2900 16596596.5200 15097555.2600 28708194.0800 20316760.1600 20542265.0100 18156076.8800 18825340.1000 28368254.2100 19834971.4000 18695016.6500 22343864.1000 19512396.5700 30908412.9900 21316994.6200 18261298.0400 17584593.5500 18727773.9800 22803077.3300 13463718.1000 27634830.7800 21228786.8800 22883602 23555540.7400 14853247.8800 29199591.9700 15099468.4100 16779472.2600 15022447.5800 25665209.9300 15687034.1100 21980937.5100 14552418.1600 24937938.2400 19569038.0700 21448276.5600 24269305.4500 18107799.0700 16747864.4100 16381795.8000 20385918.7000 16491688.5800 23913557.5300 19133334.2600 20515268.2800 30953934.5800 30265839.5900 22366214.1800 16206845.1900 17396853.3300 13216907.4800 38040410.4700 19905841.4000 25114631.3900 19935422.7900 21368662.4600 15410444.6600 29484102.2600 11550852.3300 26651212.5900 19140093.2800 23806836.1900 21405176.0600 25040655.5300 15434528.8200 9688983.7370 28698005.7700 16440086.0800 23123958.9900 16829785.1200 15906421.1700 19338440.5300 15808031.9300 13251127.3300 18413612.9100 17013310.7600 Heavy Histidine 646263595.2000 386105001 596239793.4000 549281420.5000 618195317.8000 652220586.8000 575742464.2000 460242075 495840702.2000 540468045.1000 688222582.5000 671848075.5000 683080632.7000 395133014.5000 369808540.5000 542250673.1000 561127901.5000 523160282.9000 492063609.9000 459786782.9000 574968814.9000 349872195.4000 498542703 714782718.7000 431013141.1000 490341009 420532661.5000 428189091.6000 418265209.9000 373045916.3000 672021152.2000 406101364.6000 534072209.6000 467332040 615333328 475669194 736780502.2000 478593830.9000 494142443 409231445.6000 394690120.3000 442745932.9000 508645609.3000 318242262.4000 457645779.3000 616297272.5000 566222238.7000 757054286.9000 599774229.1000 679941721.9000 506520424 553254093.4000 708862853.5000 552891588.8000 456144734.2000 398613773.4000 516633273.1000 590524958.9000 685256443.5000 655590483 571097933 523593271.1000 638752004.7000 519918079.4000 399179615.6000 513289646 492700490.5000 442236975.6000 537947679 466777537.2000 258224340.3000 565406789.5000 339418466 475399414.8000 351250993.1000 542577148.7000 552394339.1000 495148841.2000 514757128.8000 460955800.5000 439645526.2000 Heavy Lysine 71001935.3300 48044087.3400 50200013.3400 54329507.3200 60498291.8300 62724107.4600 61872529.4900 46754181.7100 59769547.7500 58795252.2900 66819534.3400 60865023.6500 74324412.4600 48809260.3000 40816248.1200 64242069.8900 70568818.3600 60012333.7000 52990501.0500 50227242.7800 82746002.4200 35364189.6100 44521826.1200 85629211.4600 47366364.8000 57210725.6200 48794809.9700 50370693.3400 51828506.5900 49926820.1200 53561319.8600 51632991.7500 64988204.2600 52165938.2000 52751520.5500 48925501.7400 67968417.8900 49701895.4300 50805743.5900 40215243.3700 46689499.2900 55766104 68192430.8300 43769711.7600 51171536 63932267.1700 55527934.3600 79011620.6800 59847802.3200 70620507.4400 53177692.3700 57143179.3100 77175426.8100 54221750.8800 60652293.9700 51610155.4600 55973876.4200 56335801.7600 68049925.2200 66946667.9300 60761135.9600 61946625.5200 64743860.7300 65665828.6900 48248665.6200 62433613.8700 55233228.2300 50128630.4300 63196567.2400 56471788.6000 39399115.2100 60610719.6700 49230609.1200 52618512.1900 52690436.0800 49105941.5800 59072745.9300 54629052.1000 56383280.9000 50407880.3300 52623028.1500 Heavy Methionine 425669905.9000 342077479.4000 330420521.8000 330600453 384969628.1000 436512898.1000 441638556 310606115 349916091.8000 321242898.1000 441472152.8000 228307889.4000 457307481.7000 305656796.9000 273233460.9000 457768536.2000 430736428.6000 422943811 318644254.4000 306473507.8000 447911437.1000 279168588 308401005.6000 455387918.4000 269242372.3000 331899141.8000 297378438 321024790.2000 316466046 282382537.4000 371345642.1000 345413392.7000 366757734.4000 331874730.9000 353510415.9000 302933419.8000 380048464.5000 309410306.8000 306064228.1000 288353268.4000 275487853.1000 322851878.1000 403516591.5000 256883251.6000 316012073.8000 397199980.9000 387203439 468608498.2000 358831565.6000 486595283.8000 321962199.8000 374283149.9000 474507067.7000 369543078.9000 376748765.1000 316907914.1000 340511992.8000 369164004.4000 382571226.6000 411563627.9000 373564726.3000 383546778.2000 435578879.5000 424589372.1000 322014017.4000 392368489 389546596.5000 331082926 416893252.9000 381960056 242342749 416770613.9000 291649392.6000 374754507.6000 334482170.9000 330764586.4000 328472362.2000 330481001.1000 332630768 337761734.4000 326158670.6000 Heavy N-Acetylaspartic acid 57527723.8400 53453042.2500 213663527.1000 171501771.9000 174509186.5000 53635612.5100 47124930.3300 30643720.4300 104497828 44170488.4400 45999106.8000 35771120.0800 55790686.3200 75769028.1100 77891075.9400 53835878.0500 63040413.1500 93406711.5000 74889790 212235943.5000 46451418.4200 113133812.6000 178279181.2000 53226005.7900 40284262.3800 115259936 100943274.6000 92696042.5400 88340614.4500 31133583.3200 159280447 48160389.0300 51161217.0200 51479690.1700 189219868.6000 41285048.8700 52506058.4500 44753016.6600 110337894 76236727.9600 94507120.4800 72390496.2700 50611601.4600 41410336.1300 37044308.2600 59116428.4000 61938320.4800 50678018.7800 45382393.8200 50504095.4900 89194669.8800 182617975.4000 78863756.6400 59197851.0100 54669641.8900 61164674.2300 81572339.3100 74276459.9700 158565045.4000 68494421.6000 49696636.4600 31260651.7200 157607744.1000 53568142.3500 74893574.1000 40066988.7500 114981225.4000 182468374 196440511.9000 55873115.6000 148475559.7000 228674508.9000 165991466.6000 240092030.8000 39508011.1700 41962112.8800 39888265 38026484.5200 42168796.5100 39478861.7200 40119132.7500 Heavy Oxoglutaric acid 72373130.6600 45852063.3000 97582056.0900 115407302.6000 102920523.9000 70592640.1800 75715069.3900 54853401.6400 67882630.4400 56166590.9300 78331472.3100 61125588.0600 88453877.7200 57423500.5700 56387098.1600 48091413.2100 59397989.5500 75542960.4000 62265995.0900 75589640.6600 83017573.8900 61559521.8500 81761460.4300 69307483.3700 55435376.8100 74772884.6700 62869934.0600 64864851.8500 65935367.8700 58698872.6900 106745286.9000 52080714.9800 74697217.3100 59390450.3100 83340897.1600 55082702.7400 76510411.8900 61371255.8800 67615458.4200 53202904.4100 61199069.4900 62646820 56313106.8300 55613932.1000 49804060.9200 72499434.4700 77572902.1100 75692065.0200 61485780.3500 82652692.8700 68086042.7500 102201672.3000 85806846.0500 61834069.1400 75210323.7900 62579248.3600 65359068.2200 72327004.9800 103506214.6000 73152951.3400 69908343.6900 67007999.8300 111656885.2000 45405496.2700 57560296.3200 61235560.1300 71690910.4300 85239249.4400 110272573.9000 68688043.9900 64531169.3400 129407780.6000 85316255.8900 76310315.3700 60341529.7500 61611584.3200 59324581.0300 56022032.8500 67247168.5600 59504339.1000 58738483.7700 Heavy Phenylalanine 389881728.2000 258748866.7000 350002726.3000 303386014.5000 333366407.3000 355470954.6000 397638310.1000 283471524.6000 326859850.7000 346581567.5000 405262047.4000 329947744.9000 464874422.1000 233079014.3000 251492871.5000 405411696.4000 189424810.1000 398888945 330002838.1000 305558849.4000 429077891.7000 233821587.9000 300624189.6000 460490935.7000 191850281.8000 320225192.6000 289301142.6000 290235808.6000 321616450.2000 311439509.1000 318549410.9000 287904084.5000 366446059.9000 328112187.2000 295946162.8000 286572273.4000 312852248.5000 319353819.1000 297622328.3000 215805217.6000 260216585.7000 292102770.1000 359627130.4000 232531607.6000 327119487.6000 367385227.7000 342115106.1000 444584364.2000 332619799.5000 465246766.6000 334625213.7000 334479452.9000 420890869.7000 324928156.4000 350136077.2000 243336199.7000 313969277.4000 368943059.2000 378454773.4000 405051923.4000 377856942.1000 348265544.1000 403484819.8000 372102811.2000 286913332.7000 380252765.7000 336906626.3000 261820542 340835630.9000 364448671.8000 174985864.9000 391713370.6000 196430765.7000 325791897.8000 285814236.9000 284853079.8000 291144536.7000 310127237.9000 288999932 280363950.3000 287502431.4000 Heavy Proline 687792665 528374761.8000 653551150.3000 554647752.7000 566211496 711670934.6000 681019478.5000 563053668.7000 603319133.8000 549723577.3000 667642386.2000 655757389.6000 719058648 637476854.3000 458358581.8000 709830580.2000 712308368.9000 748302639.8000 478706009.4000 453483581.1000 845200002.7000 453726910.2000 482596829 772791120.9000 435239906.1000 603630742 443572911.9000 635201796.7000 512690591.9000 435658324.6000 618595583.4000 463592414.3000 609028956.9000 499589725 422711178.4000 491375820.9000 581011710 502131073.8000 488852125.3000 499484732.1000 577238196.3000 576507760 710090114.7000 407109393.5000 353566851.9000 683581064.4000 616222165 731500732.8000 641533081.6000 850310037.8000 684540720.1000 576489010.2000 773191597.9000 671715708.3000 519173145.4000 503519550.7000 573837134.6000 523172705.8000 659221232.2000 567773485.3000 564529710.4000 520627253.7000 597904281 814177893.9000 469527201 660514132.6000 650988879.9000 451432985.2000 722561590.3000 578148468.5000 364200493.8000 625588451.2000 405151800.2000 556130443.1000 545616983.4000 519066489.9000 536585864.3000 509175353.4000 532160760.8000 545802716.2000 525875200.7000 Heavy Serine 7442252.2380 6154530.6690 21443885.9300 28951826.9900 23667272.0800 5536496.4110 7070976.7270 3424250.9520 27718944.3700 5617934.5820 6689625.1620 5555926.5720 8603772.1180 28023487.3900 15625846.3600 8783854.9760 11417411.1100 9747554.2070 24847639.2800 17058697.0800 6000831.1000 13708556.8500 18316002.6000 7136835.5140 6303930.3060 26078743.4700 23860607.6200 28775607.7000 27110028.6900 5707464.4060 23759651.7600 6037493.4520 10469491.9500 5258330.6970 22253188.0800 5783427.8300 7808147.7660 5347442.7550 21017698.6100 19137154.4200 21121803.9700 23202370.3600 8263092.3010 7455179.8680 5081649.7160 8095968.0860 5429754.5120 8111893.5590 7876353.6870 9571032.3420 29280450.4000 25805726.3900 9522158.3430 4668252.7380 8298113.3860 6706499.1080 34435820.1800 6933477.3030 27317995.6200 8621815.4550 7932364.5470 4355315.5960 33933645.6900 7583090.4200 22068292.8700 7537019.0020 30121871.3200 26586867.8500 30407640.4400 9150963.6840 16480634.2100 37379246.5200 19813787.0200 20801372.6100 6320304.9610 7231952.4210 5956172.9090 5945449.8320 7233914.1120 6740519.7550 6167902.1850 Heavy Taurine 212799915.8000 144278212.1000 173665700.9000 179995311 151206809.1000 138059909.3000 172188989.1000 164138858.6000 166733606.7000 204788704.3000 169919897.9000 232530513.8000 234553913.3000 142954368.7000 139368269.1000 141035688.1000 210041270.9000 223835919.3000 161008746.1000 143222490.1000 205949339.3000 99874084.0800 151124064.7000 215416249.5000 152634903.5000 169911315.4000 148548205.6000 159030154.7000 155901665.9000 173674435.5000 153485124.8000 152237525.1000 181664125.4000 117959856.5000 164427782.3000 141322201.7000 224444000.6000 155726436.5000 152931838.3000 128397277.9000 143309073.8000 156491629.7000 144285288 91268041.3600 123182590 142444186.4000 209300982.9000 190033169.5000 209870352.7000 208657866.3000 161210288.1000 141006620.2000 212196982.4000 214930249.7000 167223063.7000 162312540.2000 167334794.5000 209466580.7000 167735617.3000 241193910.9000 198867512.3000 179893501.5000 210747994.8000 138221061.5000 140543450.3000 173863895.8000 178410197.3000 138906567.4000 196737186.2000 181110842.3000 59123659.0800 195630810.6000 86472925.2900 152870475.3000 183205832 172834383 166843709.7000 166133593.8000 164263479.2000 183971586.3000 175458266.6000 Heavy Threonine 154770845.2000 141477395.7000 125484251.2000 163756827.1000 152342333 153852401.8000 154080731.7000 149332229 213566863.9000 175268378.5000 170303776.7000 156318276.7000 137523271.9000 211272300.1000 140770183.3000 180624888.7000 200247698.2000 175271589.7000 182828079.3000 116032811.3000 199213632 76260590.0900 146674145.9000 193468149.6000 117321911.4000 199410943.8000 185483522.1000 193470581.2000 210440779.3000 137419373 144277811.2000 129784636.4000 201748645.8000 103844827 143197677.7000 103468659.9000 150904803.7000 107137185.1000 182049386.4000 149750181.3000 160650390.4000 215349694.4000 149828759.2000 75346891.7300 92046992.3500 171577169.2000 140174649.4000 179097451.1000 150872850.4000 173537116.4000 190170836.7000 142733439.4000 184656720.5000 179174119.8000 135956621.1000 162265986.4000 222260135.7000 120710459.3000 135260384.5000 191356507.5000 160825439.9000 127403039.3000 186982005.8000 151582976.5000 155393266.5000 156087988.9000 226860059.3000 109898677.1000 170553682.5000 133892572.1000 64759357.4200 166684986.2000 81499865.5800 116658199.5000 180571115.5000 154916333.5000 159752951.9000 160191068.4000 159020286 172624911.3000 168974151.5000 Heavy Tyrosine 188958573.5000 154218550.7000 198777250 202699405.5000 209644176.2000 204446650.4000 185287138.2000 169320886.5000 177645178.6000 188306391.9000 219737570.7000 143909413.2000 228082273.2000 167745867.4000 144450188 181867740.5000 173318849.7000 220146310.6000 155979479.7000 155592544.4000 309326134.3000 100677370.2000 168580475.5000 287523579 167656819.9000 205287522.9000 138660026.1000 162716275.9000 158958179.9000 128145226.9000 181776104.6000 180053807.4000 224099570.9000 139382627.1000 184610370.2000 179516987.9000 225399091.6000 164106439 161667851.1000 168089035.2000 146746067 184929753.5000 197008271.9000 121564068.8000 175746256.6000 231720995 162986123.4000 251908599.2000 220520992.3000 210956000.3000 186700744.4000 205424650.2000 244231363.6000 198652200.7000 207171206.6000 128831754.8000 191782300.5000 165744093.6000 253452941.2000 216975917.8000 194845685.5000 206285913 229919725.6000 238930208.4000 166899295.9000 215717617.7000 207871358.2000 179182306.7000 226571294.3000 188845395.1000 136696771.9000 223545097 139767457.4000 159465284.1000 166783189.2000 193709842.6000 195358645.9000 140717161.7000 157022499.1000 187585397.7000 181545945.9000 Heavy Tyrosine_2 348644136.2000 285945773.8000 401041190.3000 306749395.5000 335824788.4000 430691763.2000 306207765.6000 269297473.3000 334131730.5000 333701148.4000 354208016 245153337.6000 381982789.7000 263458922.9000 217859911.9000 292354144.8000 282257381.7000 460141461.5000 243018295.3000 385287537.9000 396813644.6000 167260028.1000 272589485.5000 432063733.9000 227440759.7000 271266133.4000 213634062.3000 263178428.3000 255899820 202108804.7000 317336577.8000 275348319.6000 273289853.7000 327873721.9000 315916676.1000 238369242.9000 288447399.5000 256695549.5000 296203362.9000 237157456 262462547.2000 262559658.3000 302545815.4000 199523937.8000 235141402 345445097.9000 367103156 373603802 293710218.3000 360336869.3000 242459886.6000 361345730.8000 485136834.1000 411301029.8000 274096427.6000 312917216.5000 268557049.2000 407606818.1000 333628211.5000 389375453.7000 308050627.7000 266244377.9000 313671344.8000 319171411 253710029 284842965.5000 296787113.5000 254025961.9000 279895788.6000 274214912.6000 183671930.3000 305345056.1000 217097866.2000 349162899.4000 251064960.6000 248016913.8000 257122417.5000 235883940 259856236.1000 249757971.6000 247283460.5000 Heavy Valine 101648176.6000 73696566.4400 78864520.7500 77981534.7300 100116285 104193212.6000 108192145 77013812.0900 102621233 78684673.8000 104255632.2000 92979896.6400 117187886 87867135.7600 64500461.8200 101750530.2000 107007527.6000 107435767.3000 80805817.4800 63572937.1000 136076249.2000 51454487.1700 78363063.1500 152436926.4000 56197927.4200 85734429.5500 74962244.4600 86665645.0800 84917258.9400 60605040.6500 82560429.0600 75258649.2500 95137300.2100 78702109.3100 62226773.1500 71925937.2100 80457881.7600 74622676.7200 70183831.6400 68057361.1800 72552724.9200 90798018.5400 107148306.6000 53028960.6800 57843225.1800 92563578.5300 78200908.3800 118780981.3000 95995805.0700 127435253 108919287.8000 82893465.2600 122754034.3000 81845760.5000 94430436.3300 77912890.0200 90239341.1300 79423987.3900 104949490.5000 93590502.8800 91468788.7400 90766442.3100 97480833.9400 117440442.1000 71718808.4600 100564920.3000 108616527 70363358.1400 112823976.3000 84972070.5800 55956664.5500 112984368.7000 65110859.0800 83099386.8900 78028859.5200 82771945.8400 82310661.5500 83094101.6200 81820305.0100 81869823.5800 77938662.1700 Heavy Xanthine 175366077.3000 158921412.7000 210348914.5000 183261469.7000 176639035.1000 167132496.5000 200925175.3000 159347858 124441238.9000 197381480.3000 185063953.3000 243585431.3000 243696126.1000 108453732.1000 94965259.3100 215120959 216417371.1000 197959775.7000 108055319.7000 183783882.6000 194427783 131823169.4000 163458639.4000 256291504 128448318.6000 137456792 126954372.7000 120962288.8000 119746635.8000 198803429.5000 191020495.8000 181059743.3000 174979822.4000 158783969.9000 173803740.5000 162359245.6000 215088435 183632761 117924886.5000 98722261.0500 115136252.4000 115095114.5000 214766199.3000 167504443.9000 171764887 235598253.6000 241512836.7000 189721070.9000 182814024.7000 207959334.4000 145498508.3000 207959397.7000 216636332.5000 161725565.7000 169684015.5000 142391775.4000 141936902.9000 216172423.6000 224668107.1000 212304735.4000 179905879.8000 206366762.9000 238059627.4000 184475738.8000 108503905.7000 194296475.5000 130495974.6000 201717534.5000 212189887.7000 190286834 133350915.8000 228697391.5000 140126052.9000 188463997.6000 150549918.6000 156024369.6000 154248874.5000 152067547.7000 172076418.7000 157063009.9000 142258674.4000 Hexadecanamide Palmitamide 909756624.2000 962361919.8000 876854301.6000 481725293.6000 1405252843 950329326.9000 852427169.2000 942285110.7000 413156665.3000 692300914.4000 738329035.5000 1014281306 938259330.9000 448718815.6000 521366522.1000 731102462.7000 630206399.3000 908164853.8000 593924644.8000 692352133.9000 887238120.1000 483516525.1000 610537378.1000 623165440.3000 303834296.7000 255688680.1000 604022615.5000 777649752.2000 565719830 459033781.6000 1107206410 612439952.5000 647743682.3000 800174792.5000 822479588.5000 572388209.5000 848053366.7000 644412822.5000 695478287.8000 322466116.6000 582116071.9000 609587203.7000 686909277 673657626.6000 495736985.9000 1064740645 673378774 1157425060 654468931.7000 955808777.9000 515212487.5000 607834039 931617279.1000 1019638616 747196942.3000 1397633850 358824891.7000 734608105.5000 903517109.4000 1160021988 897830813.2000 876703882 942450984.6000 695154902 473776540.4000 551649028.4000 540758161.6000 372026225.6000 838238978.5000 460565902.3000 271578273.2000 491496311.4000 388483678.8000 742388953.8000 516402812.8000 551069223.1000 520081779.8000 608389047.1000 499708162.8000 556225842.9000 521142619.7000 Hexanoylcarnitine CAR 6:0 3732528.4420 8400912.4760 9848759.6380 2634733.7910 11814352.3700 5730566.3750 8736071.9570 2851510.8260 1351832.8090 10196696.5900 7510066.3790 3817050.1830 4962451.9570 4023756.3360 7596473.4560 6011878.1060 7984386.3320 4416004.1480 3265970.0720 7433976.2410 3632426.0590 6062631.5360 7971104.7280 6361052.1500 3046655.3440 4949798.0860 3204292.8050 6686617.4470 5261810.5660 988134.8333 7622848.1720 3103588.5900 5583760.4020 6125779.2980 6273681.5200 7699465.1000 6143873.5460 10133745.8400 3090962.5790 2126786.0620 3439699.2620 6941571.1320 4236194.8140 4996358.3340 4575261.9790 7223736.1910 5794047.9790 6915094.4410 18384025.6400 11607798.4700 12057598.9800 11153098.4500 10621717.4100 4753357.3610 3478934.7040 8770559.5310 3926240.3690 6631643.5720 4938318.6030 4884677.4380 5627191.5200 5914415.8570 4522232.0300 12514932.3600 2975297.4730 17482489.7800 3402100.5220 4126907.5410 3975062.8470 6746006.4880 4879134.7700 6408012.5310 3471560.5490 6306944.4850 6321220.3520 6220562.6140 5746184.9560 5853015.9250 6190368.4840 6285362.9370 6095601.6600 Hippuric acid Hippuric acid 34586154.9300 86834236.6100 15048630.1600 998883898.2000 24666007.1400 4575055.3600 38595024.1300 74869541.5200 84052797.2000 69936110.4300 16786709.2500 85458939.2700 247753555.9000 12787278.8800 33713477.9800 72509271.9600 15542325.0900 69342320.3400 9473045.1880 184475458.4000 100413415.7000 109989277.3000 23200428.9300 64151761.6300 108189257.5000 24300317.4400 30138822.1900 23391203.0800 66081915.0400 48252383.6300 12097472.6400 32609163.4600 42611107.0400 228002200.4000 66069359.3100 69545384.5900 14596777.8500 28107604.0600 36237797.5800 22892190.7600 121076828.2000 10431964.2900 63373833.5200 107824836.4000 393276802.6000 120716938.7000 46443157.7200 13830234.7800 75111607.5500 10085730.1100 52209874.0800 158408918.1000 34556729.9000 100548846.8000 142049888.3000 38096125.5100 13397329.4600 114941909.1000 124928065.2000 151474523.8000 103768498.7000 7556777.3950 10082100.6700 174356676.7000 166139974.1000 26524251.7200 43171459.6800 142307574 231838756.1000 75645468.9500 125215219.3000 74985054.8900 345777592.6000 102978496.6000 94905441.6900 92765496.7000 101797274.2000 78842718.6700 91406866.9400 89000531.3100 100593046.7000 Hydroxyisocaproic acid Hydroxyisocaproic acid 9359227.2850 7844058.7120 17601078.3400 5312547.3540 7722668.4880 11117615.3600 5303378.6160 10504316.9800 14234891.7200 20040445.9700 16664740.9900 18286250.9300 21622562.5000 8376259.9210 8307961.8960 10300866.4800 11944213.5800 11099226.7600 13064562.0100 14771025.3700 13042337.9300 12459458.7600 8443125.5430 8085950.3510 5389322.7270 11646969.1000 8211053.9970 15545158.6100 8948185.9630 18484123.0200 10657376.0900 5776253.3510 13588164.1600 13012104.4100 18961211.4400 13618258.1200 16937567.5900 11099115.7900 8910541.6160 5840666.2670 13487258.3600 8114559.8210 8049076.0520 13497128.7700 10328734.6900 9699083.3660 9364262.7450 7534437.7380 66898218.7700 11925311.7300 16656152.2600 8685340.4920 12410796.7500 9477300.1110 6108807.9540 11286084.6400 12884015.3200 7121047.2840 8425242.5660 9898910.2710 7979856.9840 12058628.9700 12232165.4800 10779001.1500 8534835.8190 35828001.8500 8852595.1900 10327175.5000 8433347.8630 12137926.0100 14336935.5700 14978774.1300 11613437.4100 13383531.6200 11160752.7100 14477937.4600 11766712.2000 13076546.4200 13051861.6900 11714991.6900 12473430.2600 Hypoxanthine Hypoxanthine 129633966.7000 501690200.8000 1572593844 509549892.6000 1546423939 1032160961 298897739.9000 764741036.9000 948923156.9000 444343118.7000 525838897 339122746.6000 167440876.2000 220747315.1000 314746743.9000 466467977.6000 41832233.9900 1161521965 345165529.4000 1030114625 541455782.9000 471186304 664497832.3000 391711847.7000 143990642.9000 831287612.3000 235475215.1000 670162199.7000 484918210 260940512.3000 1029539564 96486666.2000 271964098.2000 458489826.4000 837012252.9000 95445415.8100 375911874 472961032.9000 389794034.2000 398383236.6000 487805340.7000 723307277.1000 608061603.6000 890759600.7000 801175140.3000 446603550.3000 258880249.2000 708275450.2000 197610902.8000 533290085.9000 64718566.1100 1175332998 692151448.1000 727548753 177745159.6000 202731749.9000 447739633.2000 370461404.5000 314163158.3000 452354438.8000 202201165.3000 487612395.7000 571084418.7000 1071726584 607924581.4000 438321607.9000 885469900.8000 1320968572 725108410.2000 876768107.2000 1611423901 1238957458 756215771.8000 713179767.3000 504519744.4000 496545665.4000 517113538.6000 536014679.8000 490177770 464992781.7000 530604211 Imidazolelactic acid Imidazolelactic acid 4278596.2560 1489704.4220 5599794.2730 9213712.7610 2059403.9340 3025966.7570 5676109.0570 1123117.4810 3022026.6160 1986777.2210 3101618.0500 3078839.3960 3533070.9790 2669848.2800 6775512.1910 3734424.5910 6190042.7320 3722493.9600 3270239.2600 10282721.1300 6388003.3110 4959425.7130 4062262.8430 8515161.8750 5071401.3550 4140299.8910 2786206.9340 4082809.0710 3585373.2090 5459806.0110 4309574.2980 6862813.2930 6072111.4560 8679547.6730 5503052.7460 3348546.8240 3888196.7450 5190164.7860 3484681.1720 3028119.3200 2101654.9550 3846162.4560 4685544.4990 3486792.4810 4654861.0110 4142288.8370 4035679.7510 3259737.5180 3329440.1530 6121530.7500 8205642.0630 6915846.0690 5612991.0060 1394634.6870 3785330.4080 3420627.6520 2000092.8970 7065374.0320 3088808.2220 4033231.3810 4078963.9720 5057301.0810 2934686.8150 4416304.5200 7111276.0770 3909788.5440 6194567.6770 7010141.3320 3195786.0020 3483132.1470 8144874.9520 9954475.2000 3392595.9900 4206954.3800 3815751.3930 3973249.6140 4243341.9140 3777431.5270 3495144.9500 3733779.3500 4202640.6450 Indole-3-acetic acid Indoleacetic acid 5622153.3580 4463430.5510 2190273.6180 4853006.3110 3109249.0210 9277624.6290 5572183.7920 2605312.0280 2350512.5890 12369108.1600 4996560.7940 16664551.4500 7402335.4350 5238096.0280 6017644.5520 7098522.4040 16365248.1900 3571499.4880 9988486.3780 4329146.5930 26994841.2800 7290403.3720 5986625.7510 5488130.0470 7261826.2980 16256239.8400 3686571.0470 20861466.5100 2096293.8380 17938047 5431108.9810 4942790.9200 10089190.7800 6837350.4610 9175658.7230 4663777.5760 6623699.3700 4707215.8730 6966703.4550 6573911.0720 5526711.5270 1544684.6580 9917171.9830 9962204.6570 9875711.1120 24695884.4500 9390633.3760 2967186.0730 20573293.4300 14092139.9400 2471215.1000 6487121.1210 2812693.8350 4542902.5140 7918740.6010 12700827.1400 2958921.1540 7090329.7340 26031507.6100 19756554.4100 9132624.1180 4850954.0100 5698382.4800 9260605.2140 8634867.9240 7657929.5890 8739058.1980 9949903.2940 5416031.4140 11628196.6600 8876777.3600 14447817.1300 8563410.6550 22983489.6400 7383157.0310 7286586.2270 8056435.6350 8516689.9340 6736858.1430 7427698.7290 7665749.2890 Indole-3-lactic acid Indole-3-lactic acid 44690995.7000 16763367.3100 35723219.8900 51241597.8600 16802676.9000 28398082.0600 14677958.6900 16248726.8600 27437659.0100 34126475.3200 31691550.8200 25073716.3200 33241280.0600 20285537.3700 21122944.5700 37105086 33089366.9500 27024947.5500 16539912.9500 31045363.4500 37079872.6100 26144271.1900 22574620.4200 35312025.3600 29870764.2600 29628563.5800 25299314.4500 37672152.4300 20755034.8800 73560954.9600 28279629.0400 28544819.0900 51308065.1500 50019934.8500 51525377.0900 53091146.4700 35099495.3600 17798966.1800 26727102.6700 32426055.0500 29577918.3400 11790740.0300 32376090.7200 26058614.5100 27745754.6700 44824010.4800 38797979.2000 28107150.7700 18354983.3000 48208623.8100 18039143.9200 26318580.3200 28866782.3700 23883958.6900 24144655.6400 25405819.6000 27870357.1400 25012293.8300 21441116.5600 27960136.4200 24471159.1000 32831912.1000 21379841.5100 22903388.3000 28342692.4600 67868203.9100 19268628.6300 42401770.2900 36849866.9200 32852117.1500 28918929.2000 57616702.9000 44523018.3400 35820818.3300 29733216.0500 26501457.1700 27472802.7200 27229551.4800 28128874.1900 28418355.7500 28086016.0100 Indole-3-pyruvic acid Indolepyruvate 8937143.1690 8583880.2720 13662501.3500 30809366.1800 11590245.7400 9563616.4770 9646203.2040 4246457.9980 16423166.3700 9533333.3920 9618052.5150 2499979.7180 5044031.7840 15182175.1600 11205793.4600 17921077.6400 10309546.3400 8174782.5460 12537891.9300 17855930.8100 17493306.6800 6507793.6900 12395170.9200 15392731.4500 11997285.0500 15664083.3100 8321621.1970 13906573.5600 7477854.0710 10497256.1400 14026379.4200 15868843.1100 22589177.4600 16311664.3000 12086350.3400 14523645.9100 11162916.2100 7181426.1850 10327016.6700 16898682.4000 17315633.4600 9657632.9570 15920747.6200 12556956.4500 12210038.7200 17805735.3200 16599360.6400 9033266.6560 6699359.4010 9391394.8040 14706682.6200 17374671.3000 9284595.5930 9319436.5600 6690933.6750 8217624.2250 11946860.5800 7341065.3960 11057855.8500 9549917.1070 20870514.6100 4762888.9850 14320817.1000 14187646.1600 20994334.6300 17152307.6100 15386272.1500 20886491.2300 15127234.5200 12658385.1400 15759496.2400 22078134.3900 21951768.2100 17497272.5300 12254185.9900 10116554.5800 13192749.6800 11804831.7400 11650652 11244592.6800 11923050.3900 Inosine Inosine 1657120.8810 1374529.8010 50382723.9300 8649710.2070 30497283.5000 5919817.8610 1263566.5770 2299666.0740 15160526.5200 2678945.5230 2096665.6280 1939062.7000 1459108.7390 7069546.2400 7331167.3990 1689902.2030 1624436.3310 1987708.9280 11103006.5800 16044411.8700 1346568.4780 5114977.2630 11550093.2100 1295469.4300 1284522.9460 25886237.9200 2750468.2740 17684868.8100 10899787.7600 1438325.5510 30202905.6500 1397650.5880 1448388.2290 1428783.6310 20403929.3100 1178979.2980 1690535.2520 1312570.9950 11449902.2000 8871111.3180 5532802.6990 8999009.6100 1537855.5910 6031487.8320 3914364.4270 1617454.4700 1827308.9310 1385337.8310 1606245.7440 1736946.1880 1113304.8280 20514867.2000 1703865.4590 3068843.4080 1307668.7270 1395629.4730 7252540.4730 1412368.8270 13062786.5200 1444700.9860 1469602.8340 1541671.5320 4465239.2370 5500695.8320 6358162.1030 1649085.0490 4771047.6070 7731225.9070 14235485.2300 1788771.0920 20105842.3200 10364447.8700 77868936.5300 10888735.7600 7583397.2150 7926734.5910 8616031.8310 8159529.9950 7978850.2160 7981227.4190 7693281.8500 Isoquinoline Isoquinoline 9333273.7380 8252178.9290 8150119.1580 8963292.8440 8496031.2170 9670355.7500 8798627.4100 7232305.1250 6316321.4250 8455896.2320 10529680.8800 6665531.1020 9192789.0270 5151290.9550 4782537.3970 9608720.6310 9930180 12111683.8600 5854192.5050 9066736.2190 11020375.8700 6450117.9750 7827465.3740 11969402.8500 5270666.1740 5978862.8260 5326644.3880 6045178.0310 4605626.6310 12514977.5900 8240146.5810 8728579.5890 10773279.7100 8450688.6460 7434694.9430 9125172.0660 9315894.0470 7529426.6570 5889906.4460 6113579.6380 5899300.6940 5927659.9930 11944899.2400 6653681.3360 7445514.5920 10389165.9700 8831292.4640 9795894.6890 6159280.5410 9749379.4470 7222977.4530 8784810.8840 10300301.7000 7786673.3600 8328157.8100 5873550.8670 5604735.5760 8255144.0750 9996618.3890 11294474.0700 9607831.7870 7638538.2820 8012702.6170 8230486.8980 6228422.6880 10546686.5800 6484213.9140 8950096.4860 11550801.9300 10002407.6800 7244770.6810 11780617.9000 9427835.7100 6716915.2380 8535195.8760 7321998.8750 7266815.6510 6731167.5340 7639683.8130 8084116.5120 8201714.1670 Jasmone cis-Jasmone 7611065.4000 3334123.5580 3212120.0350 5663508.4020 2902989.1350 6348972.4950 5776389.7150 6301950.0140 10624324.4300 12041252.8800 19049899.2300 11527706.0300 8294625.1550 4103959.0030 2579060.6670 2544048.1770 7588799.0130 3827320.1650 2365687.7080 3466763.0540 4332390.8560 3132474.5510 3344665.9700 14833814.1200 8845706.8710 6300133.6050 3411002.5190 4671482.9000 3367851.8740 2027251.3140 4285177.2630 3282693.9100 2447022.6320 9055843.4140 7673206.1270 6022431.4030 7987376.3670 5244123.6840 3405276.8750 5382882.7250 5662587.0310 11752184.9000 4891535.3670 5101978.3880 3137887.0080 4068744.4180 5202436.9890 8526252.7060 2404012.9510 4666723.4310 9213543.7230 1971427.8520 4491200.5380 6707779.6410 3399409.6920 6542916.0770 4182650.1890 2740531.7130 5435192.4100 8898882.7600 6744014.9090 13974797.9700 7591921.5890 5074814.8190 1996399.6150 7730284.7000 4385278.0290 2348903.6890 2768138.1520 12633954.3600 3199167.5580 3682832.9270 6281782.3070 4116149.5650 10239466.7400 13331875.4600 11955563.2100 12955866.8400 13429137.5200 9648101.1590 11446708.9900 L-Acetylcarnitine CAR 2:0 1474848183 1287793152 1702657609 1166446178 2857172057 2510211351 1727280450 1328324058 572418538.4000 2766326875 2104558417 1345055406 972958108.9000 722553282.9000 1211005886 2058061740 1473351454 2002474507 770566099.2000 1615685300 1428282259 2127696189 2352174483 1488031776 930159462.1000 817268363.7000 1092340368 1624272166 1257872788 930544278.4000 2591054673 661453673.4000 1653625991 2136399550 1969209782 1932527284 1568341052 4002488985 1036386766 730560497.9000 1121595188 1504249978 1244716408 942718941.3000 1041155037 1311130635 1660895501 1521838495 3766749034 1802802949 1838125990 1688060170 3176081444 1636405595 1304289024 2956074111 1044120159 1569867590 1528942930 1536386047 1608174602 2068027808 1161894777 652708557.7000 942235403.4000 2208010067 662739923.6000 817658522 862130371.6000 1527032833 1027194602 1653916904 911549414.9000 2267050210 1512016018 1549257962 363148198.6000 1503222353 1443511611 1331596134 1282205127 L-Alanine Alanine 1039739481 812648661.5000 1426210347 1221954970 916407780.8000 1005075441 1244300051 1038199841 1078410913 1071725107 928978476.5000 1253403752 1315416140 898688731.7000 791909841.8000 1460745778 1206068567 1138660687 1152905000 1435836349 1291843804 722221646.5000 1353669120 1604483088 951148767.4000 904704158.4000 1298809005 910144819.7000 1030389511 865472864.3000 816008055.7000 1233570874 1307320937 1297134406 1179778413 1138216858 1597690147 989125746.3000 1047533597 947988746.7000 1029639402 1059095685 852826152.5000 941579523.8000 1016344527 1033543518 1340943483 1207047611 776295835.2000 1352357996 805451384.4000 1017282755 1443141619 1094079771 1333358067 882071632.6000 1214375577 1378468080 1034974799 1514530655 1156442659 1121894988 1560431244 1210223352 1054285126 1553384020 866975969.7000 897591862.2000 821426403.3000 1078296350 949850982.4000 1163982688 1202133293 1287988258 1178034163 1030917670 1038215985 1054062896 1094373801 1093296855 1114488530 L-Arginine Arginine 3837963693 1825264378 1693378862 2984521134 1733050614 2501121012 2564309072 1286787405 1847178424 1904863426 2898686656 2479390179 2169860958 1819899665 2143953853 2060008059 2571004682 1755878198 2217832961 389541893.4000 2767138044 1004097014 1323492964 1561944794 2339020636 2571351130 1589849560 1356464181 1684882005 2741996687 1813417486 3069419355 2185314514 1782445809 1736517309 1532058451 2726920975 3082652766 1694294934 2004109800 2022199015 1613705208 1266105445 1466622264 824304929.5000 1713576881 3201447984 2917563954 2088891294 2233545289 2437876242 1164551369 2762357593 1954777771 3295466986 2306864856 972988577.2000 3382116510 2848822412 1793773033 2842184576 1619962410 1974250115 1169795034 2084395239 923140572.6000 2002518702 2903708794 1941758500 1405310670 841598562.5000 1639581258 687319554.9000 668524869.5000 1923621701 1742734479 2125976203 2076314797 1996484409 1849954341 1902355864 L-Ascorbic acid 2-sulfate 19528860.0900 16918170.0200 12104564.1400 25059262.0500 24314331.0600 25349786.3900 20344305.7500 22659843.1300 10979138.5700 16432154.3200 21237764.5500 21323189.1400 22256135.1700 7925474.8060 6667163.0080 19903831.3800 29637484.0300 13392521.0700 7915145.2330 10725431.9800 24666266.8000 14761410.8700 20834069.1800 21984756.7300 17192223.4500 20619169.0200 7718391.2500 3004079.3220 11297178.1400 39929509.8000 14203692.7700 26691163.7200 18741578.5300 31320867.9500 15819000.2700 28294737.2900 12299152.6200 15953098.9800 13009956.1600 12792214.3900 10570769.5600 6388597.8720 26353547.4400 5931159.6680 14455798.9500 22498231.7800 14047259.8500 28553923.1500 25823818.4700 11470726.1100 7465717.1870 12829727.8100 28867701.2900 14513110.6400 4567535.4790 50148468.1900 15903408.9300 16232231 18280870.0600 28602227.5200 22815539.6000 14932578.2600 9189178.2220 24342467.0700 10426781.6900 15859706.6400 9398235.0570 11828945.8200 14602191.1500 13444703.3900 20592405.2600 18231166.8000 23750149.4400 10481981.0100 15202765.5500 12634250.6600 16119808.0600 15220030.9800 14812386.1300 14564304.6200 14334928.4000 L-Asparagine Asparagine 44347541.0500 29944795.0800 96754854.1000 123631624.7000 71130681.5100 37838801.8000 42039000.4300 39005373.1400 51732380.2600 31801290.2800 40791701 68950357.6000 46514353.9200 53270667.1900 71684109.8300 34693767.0300 33389863.1900 40303735.7300 65889337.4700 85070027.7000 52203803.9300 94206509.7300 68178409.2900 45741591.9400 33468677.0700 74171081.9200 64652730.4400 61272127.6500 60758036.4000 33991957.8600 85209876.9200 51912177.6800 33295051.8800 46733354.9100 59333795.9400 42519995.7300 44363848.0800 43659859.8000 54885276.5700 77403556.2900 59661527.3900 39245384.3400 45673312.5200 37459238.9000 57070027.9500 39536688.3200 52189129.3700 32636653.5000 42209564.9500 39018954.9200 93208321.9600 102691306 39739364.1000 39214675.1500 49724509.3300 29243378.4300 41228485.5800 38635613.6300 80399476.0900 37481471.9100 51368283.7000 43662605.2300 61963256.1300 34383164.9500 107665998.2000 31462345.4300 83347638.8400 89950338.2600 100564282.7000 45108766.5200 64813266.2300 84783776.6500 110280385.2000 64424260.5500 37390468.3400 37450249.8500 38941631.0700 37575585.7600 37315928.8300 34564084.2700 39565985.1700 L-Aspartic acid Aspartic acid 2212406.0930 5235275.1540 12872842.6700 12865839.8900 8234578.0100 3702018.0400 1928233.7030 2792563.5300 7965474.1720 2825672.2130 2978064.0480 1930709.2030 2839242.0170 4089000.4800 5474083.9460 2049681.5900 3129696.8290 2368333.0360 7017388.5980 7058102.0010 3035603.6900 5861296.5790 8334007.2160 1722929.1490 2753424.9820 12313779.7000 5997989.4450 11163284.4800 7040509.1150 2815538.4970 11141151.3700 2953705.0070 2379915.0710 2352323.8680 10123667.3000 3290290.4930 2576049.7980 2472816.9120 5484799.9280 7548158.4860 8141057.3610 8907891.0550 4114897.8740 8103524.3030 4283149.9070 2832762.1100 1000770.8010 1761382.2420 2179410.2630 3913545.4300 4805171.5050 13933471.4400 3384921.5250 2458877.8850 5402018.1900 4024724.6020 6079511.2210 1806941.5690 5165789.4880 2318801.6490 3077690.2640 2144290.4330 9189660.2570 3793218.9330 7834380.0930 1690113.7270 10501460.9100 18769008.1800 8597315.8850 3464856.1930 23546500.9600 12020562.6500 9841888.8720 7225738.3770 2433575.0880 1677968.9670 1494098.3040 1915669.8320 2019209.2800 2525321.0330 1799297.4360 L-Carnitine Carnitine 8806568463 5542301908 6686932544 5383264499 7293934141 7224065403 7225398729 5517335641 5273861047 13068313788 7791122584 4867266388 6489334897 4958167730 5085758565 9748324666 7607999402 8422418167 5068549648 6037055598 10395147242 6256144143 7860100222 9027713132 7061512606 5942552362 7172074372 5496177818 3556161821 5726016818 7008743351 6047987380 8518589287 9780857012 8681777933 8554142343 6746026548 11038184661 5705490530 5570773408 5521163173 6602023336 7656950412 5561378685 6192608805 6296568249 9893889074 8525133116 6930513256 5649162749 4869295174 7834381312 8779325055 8508432047 9854360697 9184303361 2431991407 8113637161 6944989807 4632625729 7808549389 9411088991 6977190212 8267585670 6181258832 7027696828 3884741535 8670074549 4411467188 8841357727 5902519040 7445699715 5785855964 8677739668 6764200796 6918033405 6831198679 6857036573 7023922511 6663859874 6822337426 L-Cysteine-S-sulfate Cysteine-S-sulfate 23370061.0600 16096665.8300 115140112.7000 96835818.4900 114285299.4000 39533136.0500 44470407.7200 60578368.7500 2232542.9770 49572172.3400 62681593.4100 47294103.7000 57825318.4700 2702869.7330 3122526.0780 20180220.2200 3968974.0330 29008486.0900 2066366.6170 159232593.9000 80347445.5900 269802054.7000 134826109.8000 32316174.1300 51957843.4200 3229167.2200 1942136.8760 16829850.9900 14090796.3000 34109786.8000 88505782.1000 10986910.7000 12847730.6700 58937082.6200 162932540.6000 53209690.3800 56729500.8900 40204084.0200 6377440.1930 3205050.7750 5152992.2270 2174969.4880 21171038.1700 21792406.8100 33022302.7200 3566252.4320 21925575.9300 60101852.6400 41195903.3200 69283498.0900 1807442.5250 307510140.7000 57566036.5200 69677547.2600 23790196.7500 17707424.6400 9681015.6110 10253634.3100 140051914.2000 32208571.1500 23980167.3100 29613043.0100 65039927.4200 56036074.6400 2986693.0060 24435561.4800 3404410.7150 26131929.8500 234607254.6000 31790802.8600 106564013.5000 53599029.7500 75544282.3400 191054858.7000 55398944.9900 34758345.4400 34765308.0700 44463212.4700 49371140.2100 45802674.1200 42164333.6300 L-Cystine Cystine 53765169.9000 12639529.7400 155523530 177310843.6000 130094505.4000 20535775.3900 32947792.6700 17102972.9900 60726081.7300 45926709.9700 42924266.1900 28024822 27308026.5800 84346527.3400 79586263.6000 15566684.8100 22905130.8100 27534512.1900 96265197.6600 95830194.4900 11826222.7200 176347470.4000 199790716.3000 15727364.7100 25845013.3900 81281313.1300 78327508.5200 43295419.9700 41910649.3500 11328147.1700 137474644 23347340.6800 29651215.0800 32054140.7400 90399288.6000 33634884.4600 43047872.2000 49875599.7700 75581646.6200 65814490.5000 68067838.9000 131158363.9000 12669412.2100 10110372.2800 11793714.7200 20852834.8000 64109396.2500 23918195.5800 13573268.5000 64815183.4600 68147872.3300 154563972 20887068.2500 22207135.1600 49444026.6400 52511688.8100 23824147.9000 6714544.7520 226930537.9000 33352367.0300 38038389.1100 6390283.4730 47828988.3700 8651099.3120 57203708.7100 842292.7675 77011672.3000 30913198.8600 164031660.5000 31006855.3100 106960965 18090798.9900 84126306.5200 137557498.5000 26418786.1900 32550759.4400 31290748.9000 23636119.5700 38129348.9700 33973662.2700 24128739.1500 L-Ergothioneine Ergothioneine 22800870.7000 15606622.3000 46116060.4200 25666593.7800 38437990.0700 28958589.8300 12741349.3400 10032458.6600 14423653.8900 73057916.3800 48353418.1500 17651367.0800 8234103.9260 54083442.5800 16719415.0800 17393375.5200 10146421.2000 43076792.5000 21886665.5200 6841786.3830 45063331.6500 21521371 39544680.2300 17037544.4000 29744173.1400 31358527.8000 24757883.5000 22494836.5900 18920844.7800 21569012.1400 54461671.7000 12349745.4500 29723745.9700 59870504.5300 28530983.6100 29222730.0700 95625502.9000 22802973.3500 15436707.6800 20348147.2400 30473770.7200 70231985.0700 18625168.9500 23953013.8900 28173271.9600 22271054.6800 54115604.8300 60047237.1400 12479193.2200 19984167.9500 13411904.9400 23961979.5600 25130952.6200 29975854.6900 11207496.9400 11893281.7400 33485280.9800 42677088.1300 25742882.7700 12788164.2200 46806024.4400 18932940.1800 29154202.5900 67338448.1900 9086849.1660 58501157.0600 19671206.0800 34555774.5200 14411599.4700 75683808.2000 31402354.6600 33913989.7000 30174508.4100 29103281.3000 35148045.9800 25481934.8500 26889987.9100 28209963.1300 28923554.7600 31143303.1400 31033294.5200 L-Glutamic acid Glutamic acid 3832656269 2961533649 4862728730 4671700066 4096645603 3359706239 3660413189 2939666349 3781155948 2649491678 3041511640 2913062189 4313921017 2957486496 3578813867 2802666823 3235678158 3306397979 3243259062 3861719344 2814750644 3408200465 4480195205 3721609407 3347899104 3984205449 3736434470 3590328623 3881533917 2496249409 4345527882 2609303695 3190913562 3260614520 4289845662 2742285674 3524731792 2845148110 3244662540 3456326405 3108799604 3609508462 2912748929 2485040080 2831656829 3135013296 3277189402 3845958857 2854079716 3317900409 3512883273 4493754392 4153687008 3791083704 3489322698 3313403816 3190155912 3272674593 5313622765 3618573071 3361115401 3359970733 4923113644 2937188543 3380781903 2859783808 3903176495 4196067360 5361745419 4113051500 3366503994 4967421602 4173633095 4461587826 2866639350 2992113137 2967955745 2833374189 2841348389 2786875186 3023200012 L-Glutamine Glutamine 11022188119 7903796469 13470096194 13547575304 11984448583 9798678209 11104674234 8621284695 10425168276 7201416846 8788015843 8331303530 13361931613 8632407920 10066071168 7910739499 9714003290 9446119844 9104716176 10611318764 7702706369 9338843777 12401816105 11041105994 9555805133 10723043429 10678290293 9787457890 11005687261 7427004749 11757526881 7770049608 9537432337 9357177209 11048866253 7861556515 10040730366 8581792035 9973703039 10196061182 9015621069 10209177909 8228683328 6363341757 7969656613 8763048029 10181190675 11409514557 8571835981 9449073625 10826076853 11661666947 12024971997 10869040286 10004156977 9097621658 8921851084 9453366790 15457052738 10189356531 9720406825 9376232656 13957613691 8207666843 9412954288 7785455042 11575598809 12017739495 15878488567 12060394029 8300543195 15040907007 12040953036 12786430464 8236546133 8722457848 8657555115 8205009364 8079234250 8031285635 8821411838 L-Histidine Histidine 6826935496 3845764885 6279144230 4580968267 5108506595 5961253691 4832924678 4551504335 3263441984 4649302599 5164248920 3872850929 5663691757 2169806844 3280714863 3862587585 4092893900 4963017232 3890645097 5559343437 5063756666 5546100715 5631308659 5724840661 3355713770 3415921355 3232169408 2952596362 3377403207 3571498942 5788906518 3740852398 4308712654 5985482905 4571124189 4844325413 4731214069 4070369983 3637594901 3120295361 3699949641 3037112386 4109891462 3332267404 4121799970 4134108134 4866467489 5677404874 3117384055 5536194392 3868180090 5702018508 6709801643 4845861193 4485739893 4198147798 2742208766 5498015510 5590062854 5088702048 4854680161 4534249973 4737287372 3534574503 3240647949 4201768992 3498287908 3811544635 4816461578 4708988731 3128732645 5194714225 3970425706 4840216766 3059066118 4639448455 4748758192 4248066217 4206281021 4018153755 3826388592 Linoleic Acid Linoleic acid 245531012.1000 174225830.6000 144315964 178994374.8000 147186271.4000 259871963.9000 254567907 148360402.5000 57497547.7300 201108824.9000 211141943.5000 277511959.9000 196060530.9000 129255369.3000 198707568.2000 282434503.3000 204394411.2000 173360294.4000 206753741.9000 165857959.3000 214238767.6000 135955359.3000 136374537.3000 259355660 135172087.6000 120104106.8000 144683878.6000 197862398.8000 206198325.3000 196137594.7000 203710346.3000 221709765.5000 239583100.9000 152314988.5000 193869619.7000 193459626 186425946.7000 156225868.2000 192601869.2000 144460492.4000 173531664.5000 186287253 201819354.7000 164559195.7000 203037908.9000 355165949 168420487.1000 264968300.5000 170373067.4000 264352951.3000 170162809.2000 148360680.2000 220333180.9000 236728318.7000 210842988.5000 232991458.8000 113482650.6000 205652770.4000 220847916.5000 257871223.5000 264344240.8000 267236944.5000 188872403.5000 163790716.2000 186731627.7000 212441198 161926469.7000 144227873.3000 257356852.5000 201886142.8000 125081062.3000 231326463 200291302.1000 173353868.6000 182010558.4000 160731854.8000 187633974.2000 180985459.6000 183884603.1000 211417693.7000 142659829.3000 L-Isoleucine Isoleucine 1518648071 2116698405 1835784025 2038036851 1228723498 1888048196 1109221388 1558289564 967149156.8000 1818610132 1362429354 1169633171 1551934539 483451994.9000 1091118353 1354877498 1691131419 1182536391 868102999.8000 992962653.2000 1203611741 1340125389 1351435976 1371978381 1321687026 1444354324 980285226.9000 1453756725 1189216612 2040021020 1463649896 1106287170 1727411783 1147392568 1980268093 1246104526 3015876228 997153486.6000 1001567988 951074610.2000 1207334836 1010118327 2132339876 3276972115 2171166916 1964646663 2813339123 1207461427 839048038.2000 1306603376 1108917552 1551887442 1275345827 1458816971 2005176454 1687157719 792810082 1436921076 1489581887 1881599780 2590582565 1565378861 1721885409 1316667669 1019675490 1647525453 1087689561 1182906674 1203780913 1512953229 1018056959 2084852565 1079986861 1227893007 1380648358 1273083182 809802062.9000 1608012683 1268338964 1436753579 1111725728 L-Kynurenine Kynurenine 223988449 96073612.9200 78170433 222862994.3000 78480280.8300 116376412 122609095.5000 107965297 73894230.8200 92741569.4300 133051845.2000 82665236.0300 71539813.3700 55722539.7700 50559622.0600 137528360.1000 100215961.8000 137961495.3000 50968531.5800 97050373.1400 129434339.5000 76376063.5600 118156189.2000 118216439.6000 137129894.7000 52954143.3200 69505984.5600 48757529.7600 144275737.5000 75610755.1400 97462430.6600 153568793.3000 147908792.6000 121321395.5000 122240109.3000 166155303 105646878.3000 115906659.7000 75264348.0100 59324399.1000 44507333.9200 69317771.7300 161667053.6000 114625956 92556896.1300 135676476.6000 154240525.7000 62868300.6000 43970844.9700 167743760.6000 50544746.8900 128300607.5000 119224721.8000 88458891.8300 51300469.4700 159565042.9000 67633088.1100 132955944.9000 105220434.5000 132373343.9000 77783941.0700 175885211.3000 153597035.4000 206039324.3000 70132890.1400 138186575.3000 67974790.1500 74628708.9900 117011401 76352437.4900 82504549.1400 135723330.9000 81711881.8000 86262478.7500 99394159.6000 93489671.9400 100616911.1000 99599566.3000 97626524.1300 96493136.9000 97716769.7500 L-Lactic acid Lactic acid 8457984718 8896821010 17956650006 7565563312 17613835994 16104591761 11649700197 16426965288 5620269925 12588653918 11744117557 10741539679 9043901488 4508743602 3432969264 15595446712 7600288691 13584988080 5014796097 19827713663 13536793785 13077178037 15621894005 15364031487 5587657079 2612272189 5806615432 4162307565 4971331567 11880314519 10317407670 8335882800 15544946725 13100662906 12871308302 17768412079 11635089801 7948758981 3281186145 4044023078 3366057774 3802300396 14869261577 23779417735 23698720095 11924624122 8903489316 12332263735 12747334570 11147489058 1582622519 13362404281 10900201449 14420763402 8138156102 6700370060 9153538887 10176569445 8840661381 12941622450 8526513493 12639434660 10490642546 30353668199 3897932276 24909047822 3691532190 8726959697 9035444678 12112877316 28436473884 10877560641 18641858758 23198801646 11160946196 11003588266 10911124041 11186501364 10917999903 10933897728 11125527656 L-Leucine Leucine 3929223558 4130847148 3239859449 3938080714 2305784336 4110431350 3638529908 4286999445 2189720826 4023016666 3425727057 2623244108 3071815998 1658914745 2558551780 3321911479 3858925474 3704445056 1886873892 4325262535 2960346369 3071315833 2899851200 2362297231 2372867331 2420820761 2255027068 2695101941 2584414472 4606394720 2961779031 2447961502 3084715910 3604208225 4263841138 4275385998 5496891076 2899537715 2193930125 2611744568 3345032498 2013099040 3739857931 5789622620 3867834128 3794068089 4748849709 3069389660 2862715966 3018732653 2056088284 3669785342 3067353672 3664451638 3474560125 3088390222 2686498120 3584434749 2755036408 3883790340 4078151493 3778731966 4493568583 3111732933 2113668717 4022272686 2126600659 2613256080 3377806550 4325987588 2350099589 3803483612 2718513347 3971183707 3289637911 2874962528 3859133588 3024108100 3387534270 3255806306 3168449176 L-Lysine Lysine 1482299875 1481556701 1588267004 1783575623 1031436985 1723421495 1796613565 1472467132 894248450.4000 1646411340 1291445581 1206273863 1603577998 727663674.8000 1217263199 1527347759 1315986090 1879091660 1193736780 1517526173 1670418606 1411783047 1263175108 1249926005 1352082158 963161000 968974680.9000 1107856558 1006113005 2132890791 1426560276 1841560873 1315927501 2088233095 1224308441 1567534849 1899205906 2288918977 921446482.4000 1243437272 1339335749 1164193198 1774845841 1845060271 1598349502 1580112507 2056687923 1228413729 1113867064 1522355270 1149367257 1753894995 1738723545 1187019665 1659323279 1290348886 764366981.1000 1514038784 1525696840 1686501866 1794562592 1425857238 1390399832 1338455130 1071806479 1394565044 913935158.6000 1393422347 1573678551 1741166875 1086023739 1232630030 1266228896 1275707293 1400969097 1241190740 1566632119 1456668150 1486358496 1316202475 1371254348 L-Methionine Methionine 1109316973 1222895401 1032224366 1083664767 846592476.3000 1040111693 1081990872 1048785196 586182710.5000 860883330.2000 881066356.9000 8488559275 1259189591 486404088.6000 906992739.6000 994375233.5000 1016077000 1195058289 781052326.4000 981675265.7000 1102132469 930439725.1000 881154802.5000 962589715.7000 802418171.8000 671550494.6000 735369573.2000 566044159.2000 798212390.3000 1382369359 987608751.7000 1150094005 589664621 1312940853 754481165.8000 981259598.7000 1149943942 972066575 549707420 848266301.5000 837286847.6000 563722721.6000 1044129284 1183362181 1303936169 786822602 1468876400 940673649.2000 1006900259 1045733052 781840521.2000 926132209.1000 1126738329 1282533612 1376541448 953870555.7000 404808911.9000 1092452989 899336478.9000 1034523437 1246986382 985806524.3000 993585765.8000 682363029.7000 762939890.8000 754714376 652423871.9000 642293694.9000 1160604472 1343796557 738255735.4000 980308382.2000 691352632.9000 840990713 1031475373 1013907322 1014084911 1057990971 1024010004 1006533797 1025749034 L-Phenylalanine Phenylalanine 2604816874 2984912818 2206470376 2809119021 1913320670 2445181424 2307958836 2409103867 1758542011 2093733722 2288192677 3306838783 2025624751 1457314826 1762681486 2416325384 1246244405 2438075222 1602619716 2468098343 2580136816 1854160654 2127995742 2572666668 1482633825 1268503321 1410269447 1557274492 1355651819 2842003177 2249401324 2160374235 2714807069 2699567229 2063834529 2123472727 2078025712 1816073664 1418114250 1666370204 2284447650 1637730079 2468239548 3129418151 2624736669 2294308666 3066006219 2065611551 1731110408 3022448245 1663812355 2384217411 2679795904 2532625319 2337031824 1929343534 1469045885 2631121372 1879452365 3117190771 2922442712 2076674493 2596874137 2548298052 1478039331 2100903350 1434929684 1533885112 2149891461 2386948572 2751268435 2054855699 1705462110 2217141975 1962498314 1981801117 2028754977 1998316711 2036403638 1932438197 1978371385 L-Proline Proline 8968457795 10762156690 10047160513 13089732531 9700651343 8368330945 11189883447 10385742390 8794919870 10532323585 9539086460 11461488070 13597638549 5941127535 8184931236 11189468815 11583156291 9809557891 12188519720 11095904553 10948121234 9791034653 9086643562 11295108615 12323402239 10079548726 12051310714 7477790033 9482737455 15779065694 10409310332 15285071340 12599080837 10725183068 15305281472 10563674269 14859163231 9632479142 13036702776 9391196529 7505872365 7346560531 10340023389 12458781070 17859291310 11399523654 11928719896 11442639472 9187514408 10488737367 5856616312 10822833213 11303289425 12109414307 12134456157 9190308553 9181758725 16794515241 9705039608 16473181205 15724541865 13327743739 13773226420 9238893741 11467739049 10827433595 6599644527 16049916574 10041368456 11575071886 10704192285 12773852496 10562053667 9509177081 11026206242 10584141854 10865371960 10600867843 10707569380 11118650958 10651548428 L-Serine Serine 108536038.9000 97893711.0700 325524536.1000 289139100.2000 306872892.7000 71147973.3300 85292706.6400 40059299.3500 206573541.2000 60891568.9800 98238948.3400 124032891.8000 162537493.8000 171462958.8000 217347310.3000 90369197.6600 102706830.4000 128095316.1000 245708851.9000 227700773.9000 71233717.2800 247977136.3000 199508764.5000 67285673.5400 79332618.5500 263335252 198605781.4000 276375270.5000 150695288.1000 34183965.4300 335761962.9000 81857838.9600 80451651.9700 75390610.8800 221619994.5000 112480179.4000 77817405.8100 138733926.4000 205450591.3000 250323669.5000 229199335.2000 234505524.6000 129839342.6000 110804144.5000 112728511.5000 83432671.5000 103048159.5000 84401341.4800 141797387.9000 120777145.9000 245241955 325011243.5000 88253362.2700 66654447.0800 185907733.9000 115762136.4000 165500184.3000 98347613.4000 269022129.5000 67891646.7300 86655764.8100 115324083.3000 251829074.1000 93324711.0600 274941939.5000 60933649.4800 257905543.5000 285991446.3000 376897823.9000 243183032 319011298.9000 436172847.2000 315214044.1000 253052515.9000 92201403.6100 91875694.1600 87687250.4100 78775774.3200 85560807.9900 103248937.3000 85497021.1900 L-Threonine Threonine 2440203254 1590933230 2156096729 2294036455 1835671513 1951384339 1958354703 1933897489 2175333960 1842301490 2126878122 3133477163 2924057439 1122620047 2406570331 1964638699 2068895524 1963444880 2061853542 1662796727 2521624588 1718618822 1644092542 2030296601 1900679551 2382595627 2383406063 2122613164 1663051424 1536201339 1628837187 2082781060 1689173874 1651427941 1576555960 1768678960 3057470245 2433139510 1731162129 2263769956 2397717467 1742808822 1885400377 1380608255 2152489338 1932357513 2126996188 2103229081 1738657425 2955108919 2535540463 1729295717 2204746868 2173265019 3124704138 2092554900 1144385838 2264978851 2088330280 2275556028 2047352465 2315777385 1850702319 1302273505 2544986554 1628562364 1990944343 2162177946 2297887969 2306694008 1217329897 2301035983 1498867688 1199904909 2294131518 2175444967 2116240374 2113351944 2109013380 2267756097 2228641328 L-Tryptophan Tryptophan 4039613567 3367526054 3068365673 2967751509 3083655080 3888154553 2912268994 3049079858 1885868129 3203455234 3444423018 2717340278 3294607974 1791189888 1681468869 3443232907 3506207963 4169812091 1971890472 3844076330 4038258759 3099857749 2782547895 3909111763 1668362499 2137930293 1622032181 1923091248 1338664104 4881743062 3306554695 3362051936 3447138188 4053523321 2990583209 3796471361 3665194279 2910516757 2068290656 2225875437 2503922748 1991560428 4277034064 3800310790 2726974596 3742810129 4135944465 3417309865 2246741852 3409207157 2192045917 3752849771 3610967931 3068696286 2380121492 2753642852 1605979622 3149028068 3561523941 3722901722 3757581454 3310657298 3506164027 2971081286 2007034034 3503338475 1996325927 3113494716 3793271962 3394173894 2634589161 4015868090 3248672705 3422144023 2783227549 2986025302 2826234531 2832890535 2892234060 2896513179 2799668462 L-Tyrosine Tyrosine 2549913695 2028977656 1807448401 1883997669 1252595984 2325232766 1774822989 2105574407 1087307798 1886548147 1237796034 3062557180 1767774120 751762015 1392310755 1696468707 1980561921 2148853713 1525036324 1430151735 1890915958 1801506829 1584794173 1268590991 1345662677 998464456.2000 1620840949 1264482975 930143737.9000 2590115109 1927077445 1923344193 2080412422 2060815644 1915646510 2086283703 2408951363 1384517309 1525844922 1373551781 1457878040 963375554.2000 2013746024 2381387971 1988552807 1951406069 2843019818 2009689261 1335797064 2145379511 1580451730 1372623934 2375246911 2377224501 1992961554 945851560.2000 1360433387 1849521701 1155856760 2370868688 2523231390 1416408223 2000687982 1570028224 1333645544 1553270676 1079096291 1448164231 2107084476 2259561862 1393288723 1414106180 1449799580 1346314737 1652461428 1639152284 1759110234 1619428046 1444573301 1709831090 1699736486 L-Valine Valine 3017569584 2967444876 2785719462 2910311948 2086424265 3223143916 2576738720 3238736475 1938275319 3093658752 3150619850 2457716594 2984438566 1618108860 1854785525 3070647273 3295287000 3185911997 1680908839 2500460708 2765909578 2100094464 2022630557 1950116362 1737587595 2152831852 1747868388 2413553565 1626532084 2742941604 2619269369 2381669983 2689804331 2737133610 2585568013 2719483854 3356852656 1882508096 1772536235 1839920292 2329255144 1814525068 3226966989 3537019095 2415906267 3521245776 3523647162 2967134911 2191833278 3264387337 1986312098 2862119211 3224008170 2698707800 2670073516 2555419635 2012319445 2218348611 2510082478 2906738705 2791615305 2772534545 2919381082 2838137303 1774465921 3145024154 1853493887 2108876211 2552597064 2948168840 1852137211 2995438534 2035360783 2481709067 2352905579 2406449219 2416944400 2367449657 2343406381 2401794555 2362455503 Malic acid Malic acid 198948247.9000 126529402 164980232.2000 130123341.8000 176144140 107423931 98110825.7600 164095454 448961065.4000 100659081.2000 137413809.3000 136705115.5000 90397334.6100 203809200.1000 187308983.3000 113912609.4000 48995100.4600 69424845.8200 249367021.2000 193914690.5000 143816140.7000 144070174.3000 185630758.9000 182829592 67182982.6800 194048671.3000 243434918.5000 370464015.7000 237203350.2000 129430322.8000 129312298.4000 144962180.7000 123428649.6000 162470633.6000 124531644 150319171.1000 114036557.7000 88934603.5100 132077980.5000 367687555.6000 142558860.5000 281462610.9000 129135199.2000 164927013.1000 225682034.1000 127217047.6000 75610463.6700 82605407.8900 199094373.9000 133582447.2000 379547057.5000 175068867.9000 132383311.1000 136043218.3000 77444948.1600 93517908.7400 285124019 129180789.3000 106359663.4000 130510650.7000 99237647.3500 151615167.8000 136700719.5000 281963651.9000 370878595.1000 173336447.9000 197133380.6000 92390561.1600 116959165.9000 91180613.0200 337313622.8000 115964438.8000 179889999.6000 364773015.6000 174872820.6000 174680443.4000 169528025.9000 170040643 178937015.3000 170112054.7000 173700876.8000 Malonic acid Malonic acid 1203950.2560 916938.3939 337698.7000 942569.8859 433242.0218 526092.3189 402133.4884 910236.4373 25717432.3400 425824.1623 515854.2370 454100.5310 1076930.8190 19491313.4100 15963497.0600 1227433.1740 609652.7626 751794.6869 23956134.4600 555718.3082 844180.6186 413528.7796 417869.3644 786301.4125 405070.3171 20935550.7400 20383543.0900 24373910.5200 24430408.4400 1006462.2290 315845.9052 402325.1991 1338110.0210 1054969.5780 510272.0306 481940.2507 411362.7836 508672.9520 15559341.5500 35015115.3400 31890120.1800 16695787.6600 377091.4563 211106.1320 495831.4367 384159.8588 821770.6863 503514.5155 311484.9802 455633.1970 36574481.2700 330019.0379 784999.8991 1484287.1010 864343.4920 1711697.1270 18946796.6300 526643.4656 304529.3820 969491.2092 1683279.5300 352208.8381 333316.2264 900809.6219 25364263.4200 766885.7744 20425859.1500 333903.2046 690085.3329 382504.4614 185135.5485 428438.0426 481698.0957 655912.4925 7574939.5440 6821450.9130 7520655.4050 7309852.4530 6909821.1240 7424330.6880 7329471.6770 Methionine sulfoxide Methionine sulfoxide 74325414.1800 47315498.5600 37107586.5500 122270830 25577864.8300 22156079.3600 37011154.6800 79544612.0200 48857322.2800 20016760.8600 18630364.3600 815892108.2000 68258984.5300 19365372.5500 53620733.0700 31266302.8400 26662927.4800 18583309.3700 35343641.2200 25426948.8900 39555281.7800 73522112.5400 42393805.3000 38056098.1700 50164370.5400 35279666.8000 39463169.0700 21142034.1900 45956636.5900 85688775.4300 42770947.1900 28620327.7800 65025711.3200 15854934.2800 44649993.0700 47015950.5800 38631783.7200 18929794.3400 60976788 56944306.5900 35363653.5000 43621815.8900 31437152.3700 57725360.4600 172152293.4000 39993156.9600 38878332.4200 73280988.5000 29188102.1300 25428367.3700 69642029.5100 21403867.8100 25911609.0700 84302647.4300 113814015.5000 32650811.9100 40373644.1500 50971216.2300 26502571.0100 139809464.1000 72972365.1600 23951356.2100 54855224.3200 62339788.8200 52275965.5900 19813879.5800 25440571.3800 48285584.7300 77331158.9000 62278051.5400 83274609.4500 61217758.0900 55824532.4100 24414297.4500 65262951.1100 65955915.5400 73224703.2600 51730489.0700 61558773.8400 65607150.2200 70572752.0700 Methylcysteine Methylcysteine 13382626.7800 26062322.1600 70466575.7100 7818637.9650 18130744.2200 10321369.2000 10583045.4900 12171240.7400 5257518.4520 8783524.0830 21619269.7400 10184809.5100 21529222.2900 3618390.7390 5773221.3220 76725214.8100 10917102.5900 12652473.1700 5053608.2830 17627277.2600 11346971.6000 63807715.6900 9189063.6190 40471405.9200 8387226.8490 8984357.4210 5134960.2050 6109862.8770 10240041.0900 5177158.5180 14084515.6200 13613383.6100 9608747.4090 14839987.3400 7259187.7650 4918667.7060 7472707.5470 48391955.3600 6284680.3390 6660194.8040 11524584.7100 11572186.7100 7481794.4390 3612306.4770 5350726.6620 7512716.3860 10190407.5100 19096932.5600 13250123.3800 11586906.6000 9594403.7740 17605154.5900 8411941.7440 11823270.3400 7249720.8700 13739137.7200 3597345.3520 24017270.3200 14296562.6200 6888048.3600 5647890.0710 12644969.6600 6103391.5800 15830531.6800 8735890.5560 10094477.3100 4599940.6840 40208727.5100 12721468.6000 13628681.7700 5497074.3370 7636403.5620 18025264.8300 18084416.2200 12642606.8700 10143877.9800 13851023.3700 12784781.0900 13345225.1400 11566930.0700 11893739.1400 Methylimidazoleacetic acid Methylimidazoleacetic acid 34628708.6900 8044805.5720 5996955.4110 122245197.5000 5704562.5440 13968824.4200 10319214.6800 105017610.9000 18250021.9900 32846069.3600 35706140.9200 15748747.6900 47299521.5900 56862426.0300 30730821.4700 25129207.4700 17171459.6100 18252221.9400 10583716.2200 6853211.6370 51209292.6700 16221565.5000 14874559.4100 21481345.4000 19355136.9000 39579856.3200 17122992.8200 37246681.4700 22489672.6400 134426254.4000 50972279.1700 30051436.3800 85663247.1200 160954939.8000 25563211.8500 48418970.6100 28697026.3400 5753292.7230 28440514.9700 58116141.3400 27986949.9300 9143500.5830 38890988.5900 87256014.5600 70899099.7500 55764902.5300 37082565.1400 30082423.2700 13645648.3000 10325788.9300 37270464.0900 6886881.9970 10613215.0200 23878013.2300 44589780.1900 448943598.2000 32357436.7500 12888696.2900 46050947.2200 42640605.9700 70501398.2300 27541861.3300 39882290.4900 43393811.1900 18614166.5900 26225466.2700 62787333.8800 29914940.4500 19083362.4700 26817331.4000 41787360.1900 42542807.6900 35587784.6600 26728885.8000 42519011.1100 33368957.0600 40198707.6400 43308674.8700 38987053.7600 36040523.3800 40866562.3200 Methyl indole-3-acetate Indole-3-methyl acetate 38314740.0300 89712719.8000 15336035.6600 20721355.8800 6103648.3950 133743.1126 16023690.1000 10575666.4900 19076809.0800 2462806.6450 7071668.9480 158391.7862 20905773.0700 1515878.2890 4139238.5290 11616778.5700 8218379.1540 105744487.1000 8044086.2760 38301760.5800 10018936.4600 99689770.3600 2232562.4540 8720071.4040 13778589.6600 8718584.5820 4633995.1530 139067.4597 5198557.6100 4619547.4630 7773874.8090 10845743.1100 35834369.3400 12424076.1500 4960110.5090 10251558.3700 8976922.8780 4980147.6050 16850519.0200 14841777.8000 11473476.2100 2308717.5730 44019764.0400 20011365.3000 16689280.1700 373792.1272 5029896.7980 7016207.1450 2712805.4790 3139747.7050 2744514.6310 11408842.7600 1765648.5830 20151750.8000 2774868.5540 23735150.2800 5614889.4900 63753405.4200 8251064.2540 11108424.4300 10314366.9400 994777.4273 15988363.2500 5660188.1800 17260453.1600 8740331.2870 5637282.5970 5188535.0280 24124502.4500 4314906.9250 170367407 25237690.0100 5161244.3170 46176618.6100 18493080.3200 15541307.8300 16662122.0600 17262509.3300 15162981.6100 17150348.4500 17779560.3000 Myo-inositol Myo-inositol 7409155.4000 7839212.8930 8740729.7940 39124095.4700 10585833.8400 7176335.2810 5889431.4090 8513028.3170 4582555.4670 7550957.9390 8127037.9550 5713514.9610 8417004.6420 7478641.8520 10285241.9500 8442494.4860 4940069.4600 5932692.3620 14568910.7900 9545848.6010 10703820.5200 13949498.5100 16709877.5300 8475776.7850 11996232.2000 5747280.0520 12045364.1600 4174498.5090 3761952.1810 10691009.1500 10743489 12210385.3000 10526952.2200 10256695.7000 9133713.5140 6102261.7970 8774013.8090 5880483.8700 6605380.8350 7659077.9010 5122297.7050 7138743.1640 5455324.6180 5739080.5550 6281811.9050 10771090.2200 6303006.0030 8304697.3710 6326750.2280 10046936.3800 4974172.9820 12048532.7500 8062286.3650 7998381.2510 5423644.9160 10316198.2000 3844391.7910 6973056.1350 8524927.1070 6765274.6430 10474187.2000 7345756.4940 9322052.8100 9151889.2310 11648715.7000 6914513.8080 4764031.8780 12142164.8700 16894249.0400 5195163.6840 21353497.0900 10819244.9100 16741647.6600 6117604.1460 9121370.1000 8175522.9780 7733006.0110 9106886.6920 8098318.9660 8963187.3550 8416465.5770 Myristic Acid Myristic acid 207992096.9000 462012397.2000 828100589.4000 339607617.2000 635642142.6000 306977595 327690610.9000 300905584.7000 210009242 374540916.9000 380839717.7000 157922083.2000 258537656.8000 204879668.1000 178685908.3000 373372603.1000 372784133.1000 506905756.2000 155879722.5000 461701308.1000 210570545.2000 360814294.3000 1413847753 337411778.9000 253222555 261746319.7000 193708859.7000 313021063.5000 512878075.5000 222004822 485303417.7000 251379430.1000 368267988.6000 347264446.1000 701551546.3000 482868416.5000 526407458.1000 559746596 217640769.7000 145949824.4000 202859658.7000 226953721.8000 316511610.5000 606831264 528773793.2000 625523392 151282091.2000 424337926.5000 317711989.7000 477411382.5000 357829957.3000 487281342.3000 509756111.7000 228506114.2000 172751987.9000 322967384.1000 497246066.2000 493663846.7000 412215179.8000 434674815.5000 273414855.8000 328460683 292211154.8000 316739268.9000 231086291.5000 629351830.2000 204044966.5000 232862540.4000 322407647.3000 460530008 488760117.7000 387460079.7000 212206268.9000 507018457.5000 356301648.8000 344540452.6000 380510642.1000 368703256 365546066.4000 333981953.6000 366189813 N-(2-hydroxyphenyl)acetamide 1492577.1390 3078657.2110 18901283.1800 1641357.7200 1113473.4290 1474995.1450 1621078.1880 1255313.6970 1167419.8500 1229285.1120 1336781.8530 1229193.2860 1323958.2960 960424.6801 789008.6987 1400627.9060 1316635419 1452837.2030 1119872.4350 1261284.6830 15151765.2000 1131651.4020 1043064.1880 1427746.9850 5616359062 1600675.3330 838606.0895 1064196.3410 789337.3794 2600410.4810 984278266.9000 1323480.2110 1762680.2180 1303268.3080 159797339.5000 1348861.1680 1452020.7030 1088322.8910 1015837.7680 983744.9433 1132949.1350 1024087.4200 1642285.9750 1263340.2040 1315206.9080 1485334.3220 1422960.7900 1376746.6900 973133729.3000 1357712.7050 988315.3515 1291390.0230 1382148.3290 1700219393 1429905.6280 1361025.5420 949855.4446 1264713.0110 1251801.6740 1414159.7570 66098365.1100 1385305.1590 1278622.2500 1247517.1960 938036.0562 1419860.3430 1403664.3150 1371996.7670 1557217.9220 1019155503 1170886.9280 1365463.5890 1441824.4270 1664123.5380 261087510.7000 264661073.5000 265607844 232716730 262586796.1000 270901992.9000 256279828.6000 N2-Methylguanosine 2-Methylguanosine 14621766.7500 21295853.9600 13430832.5300 5422979.8250 13177749.8000 51262328.7900 14152212.5400 11903065.1300 461960.9385 9615569.9280 27155307.4000 17419092.8200 23946425.9000 392235.4126 369498.9343 36580477.3000 689211.6291 26125125.4900 400130.0817 19036969.1900 24269045.3500 18029169.1600 19334969.8000 6457757.6310 10872936.2800 573134.0284 355597.1785 507287.2482 696515.0965 13341375.1900 20338714.8500 7774077.9630 27662491.7300 25946249.2200 23577656.5900 13706199.2300 16027260.5500 15411199.7200 416879.7250 433941.1103 455937.1101 373407.2431 31602079.2400 14720566.6100 16587079.0700 653990.3376 14473150.5800 23011741.7700 7348017.2720 31549421 504214.7735 45183783.3400 26603818.7400 14581219.3800 8842672.2650 6376676.6610 541629.6875 6408554.5350 16416530.7200 19361877.3000 16674247.4300 21093038.8000 17462718.9300 49854622.4200 429483.9781 11101327.3100 419383.0832 4224281.8860 16472764.2000 25968814.8400 9638329.8860 15406061.9100 7200326.9870 13378347.1400 11193720.2300 12499375.0300 10747044.9600 10491078.6700 13929849.8000 11117703.1800 10965076.1200 N6-Acetyl-L-lysine N6-Acetyllysine 18397078.9000 23804489.8500 13518525.0100 46444367.5700 13255271.1700 18262616.1400 19128541.6200 20461990.9900 16824771.1200 14486513.2500 17441325.6100 15179210.2600 16335678.0800 10950832.9400 15371926.9600 16333558.3800 16671356.8300 22250274.2800 11877256.5700 12896184.9000 20194913.3000 12921289.9600 13427063.0700 21539043.2600 15854988.6300 15037799.1300 13845766.4500 9716309.1970 14325804.5200 19849381.1100 11251418.1700 17468193.7400 17168670.2800 9662824.2690 11323447.7700 16746819.9200 19682600.8500 13619376.4100 12559693.8000 13583971.4600 16852687.4000 12758376.0800 19925763.8200 12003089.3700 12154867.7500 17473925.1600 21611155.7600 11080052.9900 21142717.4200 21683354.7000 18329002.4900 19030841.1800 20098001.5300 20211760.1700 34451825.7600 26044436.0100 11050513.6800 14112281.1700 14156009.8400 22888629.0200 25064069.9300 15067216.4800 12852677.2800 15998160.2100 15011172.7100 15176613.9600 13382210.6900 17608902.7800 16868287.3700 20240861.5200 12221332.3000 17546589.8200 17144079.9700 18077114.9200 16677894.4800 15910742.0700 16971924.6000 16650731.6500 16369458.1600 17170178.8600 15933368.0400 N6_N6_N6-Trimethyl-L-lysine N-6-Trimethyllysine 62199848.5700 37428197.4300 34803284.0300 139853771.7000 34285825.1700 40400832.8900 40861985.2400 84455268.3000 46964550.7100 106705551 85765585.3100 72644558.2500 58007022.2200 29858504.6300 36070565.2100 48615346.9100 83975360.9100 42018564.7100 143750393.3000 63218904.8900 90156071.2000 42980501.3900 58740749.1100 53184222.0300 75117752.8800 55056813.9400 48805583.3000 43875403.8600 30256078.1800 64003485.4100 49202333.0500 51774767.3600 62521101.1000 56081125.1100 70911849.4600 116965334.4000 160663769.2000 92324213.0800 25824902.8500 43103290.5400 83518914.7400 37873282.4900 79680863.6800 146592599.1000 58910727.6300 141537435.7000 54689075.0700 130088391.2000 42602103.0600 48068688.2100 66473195.1000 70029387.0700 49892338.0300 75185257.8900 98566818.8600 146813030.9000 23973578.8400 54652186.1500 89364020.6400 65423708.5500 67936940.0500 69295231.9400 35329739.8800 43293698.5500 48016149.7700 55930286.9900 54642605.0900 120246272.6000 104933870.5000 73365690.2600 48224192.3300 55415917.2200 80587422.7100 68223853.6000 69635065.2100 61829738.0600 66194169.8900 69246678.3400 67641479.9300 66917790.9200 65342288.5700 N-Acetylglutamic acid N-Acetylglutamic acid 2816688.0590 3056579.9790 2832914.5330 5238561.5830 2030604.1080 989200.6006 1947268.5430 2201317.2940 2412577.4570 2079555.1240 1883947.8050 3334985.1510 1471223.3940 1456365.0570 3366716.5260 706056.9057 433342.8602 733281.5858 1293323.7480 1956409.8370 906959.7588 3436099.3350 3974545.8070 2757205.6250 1488450.9930 1570284.7390 4333536.4230 1733118.3940 3151606.5570 3229919.3380 1642286.0730 1117349.3830 2177002.5500 1471465.9690 3646039.3890 2275411.5000 4702793.9820 1447022.4520 2603310.9980 1482549.7190 2507099.2760 2110156.4360 1130844.0640 6378023.4910 5573302.0930 3730412.8300 2005521.2190 2167220.2750 3040529.2800 2083557.5330 4133642.8780 1806099.9900 1742932.0220 2249038.6930 2009372.4960 2428947.5220 1422272.2170 4085266.1420 2026887.7890 3552413.9010 3373796.5760 2290028.9180 2156619.5080 1250315.7060 4422818.8000 1775585.0970 2154913.8130 3107953.8280 2008003.9900 1801822.4680 3315675.3260 1077179.9410 1997846.7790 2507220.0080 1772872.4960 2571788.1690 2125987.8620 1884960.0510 1858153.5210 2125967.0710 2138175.8170 N-Acetyl-L-alanine N-Acetylalanine 22540069.8400 18012964.2100 16581797.0400 45310644.5300 14121427.7400 20018992.5900 20099998.0500 22137231.5900 11691138.8800 17033880.9100 24729130.8500 25640533.2500 18821201.3600 10624175.3100 12413800.4900 17630013.4700 17928691.5200 18122944.1200 9924981.9770 17682836.7600 22782296.1500 13754530.7000 18328432.8200 21685521.6500 18267995.9000 18058972.6400 12038775.1500 13278544.5300 13432137.2000 14306129.1500 14603714.6700 20109829.9500 20935355.4100 18921087.7700 16696993.2500 18865330.4300 21137170.7500 12945464.1300 13396852.7700 9829608.5520 12281845.0800 12403555.7200 18936183.9000 18093447.2300 18915802.8000 20132110.6000 22041129.4900 16154554.9700 14539510.1900 24749350.8600 11784310.9500 18364172.6300 21255267.8900 18019774.2200 20092247.9000 33417777.6500 11406007.3700 17244717.0800 16757129.8600 19314843.0300 14890049.4900 19738161.1300 14051757.8600 16742587.7200 12170281.5300 19569896.3800 11857200.6900 18466818.7300 16697105.6100 15567953.3000 14867657.5000 17417962.4600 17879002.5700 17313781.1100 16766292.7300 15374599.7900 17729278.1300 15687554.3300 13850550.3100 17846064.5500 16277284.6000 N-Acetyl-L-aspartic acid N-Acetylaspartic acid 7679816.9650 5132942.7320 10530426.9500 20242639.1800 14963707.7500 3070620.9760 4967028.9780 5138919.3780 7114975.4240 2669937.4470 4664581.5680 4772353.4450 5430033.3520 4262565.9870 6383124.4780 4137694.1480 3362355.1900 4510761.0360 4568297.8660 10433743.0400 3200919.0680 12760456.7900 12674684.6100 5597032.5900 4554524.8230 7794546.0870 10174271.3800 4952096.9600 6738672.7240 2923423.8780 8728454.8980 5111950.4680 5854513.6050 3779062.1470 10240143.7900 3813619.0550 5063120.2140 2351376.3730 5530085.8930 4628711.1990 5453465.7860 4641543.5940 2867248.9240 4328884.6610 4431913.7060 5568505.8230 3521565.6260 5120210.8130 6821189.5370 3799286.3120 11238672.8500 11503588.2800 6214597.8410 4128095.5870 6117248.4640 6359407.2570 3289213.2050 6491499.8180 11313265.0200 3966789.0510 5416414.0530 2905469.2380 11171923.6500 6717054.5480 6867889.4670 3972134.3040 7722415.5360 16045054.8800 22348558.6000 5267868.8850 16078569.4100 13994505.4700 18093070.1300 12514247.2400 3784244.4510 4122896.3090 3416008.0920 3803234.0300 4868751.3900 3464264.0350 3649480.5060 N-Acetylornithine N-Acetylornithine 106122619 71780474.7400 135871542.8000 393938185.9000 122853236.9000 106651587.5000 85641995.7600 62558298.7800 232217299.7000 20263157.6600 76981797 53537846.1500 50984284.2300 153033224.8000 85626111.1900 135063784.4000 181040753.5000 88757031.0500 85798811.1900 192135036.1000 196152165.3000 240259960.4000 26019109.0400 65992874.1700 91120827.7300 114235199.2000 104829895.1000 14791398.7400 32687052.4700 200960240.7000 170755412.9000 194715776.2000 222276370.4000 115238353.8000 71487827.5800 45947679.3700 66305458.7200 138004977.2000 92647747.6900 129853908.4000 142197495.8000 55919404.7300 201360852 73316349.4900 91845143.4200 57525626.5800 73750817.5400 57998963.4600 88414105.1100 36772006.6500 33160315.5900 155146013.2000 91675328.1800 98891041.0500 86779406.1500 126837044.5000 57270054.7300 79887762.2300 52720128.3300 81256344.9500 296080954.1000 70165319.5700 87444425.2000 136991403.1000 99445469.2100 76950436.1600 60275747.4600 203395011.4000 95881436.0100 99677644.4500 115183822.4000 148156627.1000 118543816.1000 127367085.2000 108307373.1000 108242457.4000 109988193.2000 108714714.7000 115075128.8000 104165488.9000 108596185.8000 N-Benzylformamide N-benzylformamide 505033407.4000 408391430 353345152.5000 417173744.6000 292649507.2000 451762345.6000 313359669.2000 443515883.1000 257302941.2000 325833765.4000 265515263 635918243 321975851.5000 164902574.1000 271488319.5000 294175197.1000 363026302.3000 416243535.6000 290794167.8000 343103875.4000 339688142.8000 370631439.4000 322273111.8000 296394077 252764541.8000 223455777.4000 308056578.7000 235056078.8000 206799298.9000 540685999.7000 359031245.7000 345328201.5000 409524666.1000 390589174.6000 385070986.1000 382497342.1000 469746639.4000 252796718.3000 270827229.5000 278745922.5000 283345034.8000 187504697.8000 394144263.3000 504094897.8000 397636918.7000 388437447.7000 615468705.9000 344628419.5000 230538099.9000 414638300.7000 315733981.9000 312900283.2000 454953741.8000 401541570.1000 369102940.1000 177900536.5000 269163152 353487781.7000 268354181.6000 427705971.8000 456371670.1000 253863815.3000 378660456.1000 282231826.5000 250131643.1000 281451242.1000 256535587.3000 260513077.5000 418561357.8000 420290370.5000 269294024.5000 318428674.8000 273896902.9000 304502645.7000 325976529.5000 330915450.2000 325481389.2000 321509347.5000 314855303.6000 331156730 327027669.1000 Nicotinamide 1-oxide 5131194.5340 1279381.9830 2126279.3670 5284506.4590 4789448.1310 1334270.7230 384392.0534 3247722.9000 579366.1167 2488813.1020 10791161.8200 1112269.8210 1478763.0390 1628142.3560 1061739.3790 1682388.6640 1759908.1730 2895616.9430 851445.7066 4365890.9200 2029259.4390 1354909.5160 44942877.4400 2007035.5940 1308909.6860 1883373.6460 3094416.0750 3465739.7650 19152417.2000 1091437.3990 1359098.8430 2189333.6600 9331393.7720 5076003.8190 1245451.0100 3954201.1510 2212137.9800 2232775.4050 2352279.8070 1225710.0020 1610337.1790 1328069.2880 2798837.0590 3430445.8360 1883675.0370 3995354.8690 2945304.0870 1630068.6370 904290.8720 1996868.6850 772867.1432 2422629.5440 3717206.5290 2313998.1700 7405826.4100 3145838.3290 2505470.9900 1288032.8370 1963807.9540 1240342.4080 6275813.1060 2123804.8460 2543887.1150 1614058.7240 955557.0020 3970687.9800 2622257.6880 1060444.1710 3063312.3280 1709517.5290 2548254.8440 1288717.1780 3243607.6880 1241235.7020 3198014.1540 2884901.7880 2368189.7800 2853143.9490 2250982.1060 3057457.7750 3166447.4340 N-Phenylacetylglutamine 10867343.6500 6428971.4430 3593815.5140 23842427.9800 6452116.4770 5880796.7700 8770437.9460 5282735.6210 9078931.2210 15872439.9400 6761923.3730 14107701.2400 12147757.8700 13830172.0800 7012538.3350 6118482.7330 11532727.7900 7731073.9930 2441379.2260 4155278.2390 38771410.5500 4714760.3060 2201507.6710 10614696.7000 33066431.0200 6737182.8220 11780052.9100 10940457 6297194.1590 7147234.9200 5618777.1140 5018179.7270 16909504.3300 12836027.3500 6921187.8280 26515427.0800 34272093.2500 6564385.0990 5718732.5360 8145144.5900 33527434.9900 1856892.9140 4675655.6250 15674459.3400 23458528.7100 8505834.5140 18757114.9200 25668484.4500 43363496.0800 5160222.0780 9830051.3680 3036602.8340 1777120.3120 6914613.0370 30425060.7500 100864865.9000 3607468.6820 7940129.4390 117979036 9079258.2370 2460479.3690 1030606.1580 5710768.4970 26356706.8100 9089286.9650 10414288.9600 3069446.0200 14546700.3800 5849556.0180 22801218.4400 6090926.4640 8956903.8620 16633768.7700 5092715.7270 11095170.7200 10033664.2600 10149053.7500 13846211.7700 12012416.3700 9327088.7680 10808187.9200 Oleamide Oleamide 213730678.9000 148114502.3000 203443492.4000 144902614.7000 295112913.1000 275120394.9000 205485272.4000 201533344 83417507.4100 179652424 189274955.2000 227106856.5000 202618181.9000 86496163.5800 150673430.6000 190133162.3000 115463109.3000 218010886.9000 209791798.4000 197734187.7000 234175945.3000 168914096.6000 137521119.7000 158636655.8000 87081654.9400 78122311.5400 119636521.3000 126404164.6000 139442750.9000 64336246.1300 265485515.9000 154063974.4000 154392282.5000 146393605.5000 195520529.3000 186660595.9000 212191768.5000 161131986.6000 59115984.5600 109787074.2000 148360087.3000 168375662.8000 206360312.9000 136163951.3000 164439187.9000 241420002.2000 197178956.2000 254436511.8000 164988674.2000 204539350.7000 97592221.5200 167924049.8000 252894948.2000 224840427.9000 157970628.3000 325113821.2000 91764189.7800 170927510 134111532 220686654.9000 222487199.2000 212967680.1000 149137517.3000 169265439.8000 136181350 136411947.4000 133184576.2000 70977035.4500 146717280.2000 153292794.5000 56944920.1800 136329468 113912300.5000 190180302.5000 112642471.5000 192718045 148853579.7000 172425464.5000 135330982.8000 152311132.6000 147768949 Oleic Acid Oleic acid 1516131247 4127141628 6585628291 1467050552 6746634175 3496702520 4410166099 1955547034 712107614.5000 5062644798 5393250430 4168299647 1878909142 1558388999 1960778944 2781282981 3583973268 4525186011 782582320.9000 4066160089 1212308286 5954179696 5911173052 1588770478 1340561180 1198780945 1202484773 4585118863 6770423539 761133244.2000 7006197714 999376831.7000 2148536085 3553359566 5521256506 4484624313 3378167489 8089582295 1602346343 429566442.4000 2642520460 2659777201 2474392772 3992111859 3464183736 4308857637 952573192.6000 3048112604 5024806293 6196188985 4073167861 4860873299 5653817087 1616222838 591083299.2000 4485857672 4577530824 5379477350 4778825995 2419957656 3723147131 5718898193 1959520376 1468013480 1325633990 5651112630 917614237.9000 931526478.7000 2942484580 4989246267 3319207918 3401831159 1680187544 4794547481 3176634945 3024733630 3363141134 3235859491 3255855030 3133940887 3120434604 Oleoyl-L-α-lysophosphatidic acid 219275975.4000 168439513.3000 140407191.4000 215409835.7000 210096448.3000 219000628.3000 240073699.7000 105599688.5000 111261078.7000 179792806.2000 228052672 98576917.6000 322053711.3000 96889939.7500 101288252 271773958.4000 400273181 257772576.3000 158093352.5000 208268521 345780034 266702493.3000 234128991 325254871.2000 255517543.3000 292780577.2000 225910715.1000 183618653.6000 227077558.6000 337634971.3000 271798718 160238566.4000 106533292.2000 227324279.6000 204897913.1000 225344104.6000 289919997.6000 118429700.9000 174408337.7000 112424504.4000 170176000.5000 210799643.4000 440432972.1000 287453148.7000 347778402.8000 294360638.8000 200983449.8000 270113817.3000 118752996.7000 183586048.3000 104728469.9000 241505750.9000 215012510.6000 206840296.7000 245368655.7000 154293263.9000 120043217.1000 334147004.9000 244389361.2000 72156149.1100 326598406.5000 242364059.5000 243520832.7000 282222955.8000 193573634.5000 350189590.3000 300406374.1000 276266952.8000 311738295.6000 341195661 317393178.8000 99188561.0300 297371821.3000 254115645.5000 219271880 212749502.6000 219439898.5000 232247514.1000 242056280.6000 210991403.4000 209801892.4000 Ornithine Ornithine 1825565178 1522983752 1325447783 1271742923 1276423045 1579790320 1486162514 1651810240 1061736152 1346751997 1107132532 1574639577 1792070468 550760152.7000 874846967.8000 1159931815 1089670273 1359738910 926477228.3000 1648250719 1203719310 1922767230 1263769269 2229437391 992132395.3000 967544377.8000 874294429 953266551.4000 805848699.6000 1774596650 973769958.3000 1241251728 1409577552 1806153992 1371555123 1771892988 2114541475 1630363548 1041011465 1157189602 1322500629 1172466846 2234296203 1813899223 1769978422 1438540374 1471727507 1761010897 1256631936 1591281833 999026830.7000 1858478815 1688215074 1520279333 1356887308 1371341496 844678496.7000 1355877958 1572464112 1473650037 1515778054 2045350623 1596244000 1460318449 1283405384 1297540321 1346554024 1224508565 1734987824 1976324229 1521869833 1331843192 1719229044 1619133534 1337628476 1179093775 1430978683 1401715201 1385024205 1305367995 1274381745 Orotic acid Orotic acid 3098055.4510 6330660.7280 7539041.2080 13175478.8600 6270256.7210 8004420.5390 4906320.5160 2861465.0470 3240392.1030 3670952.7190 7453272.9440 2668138.4920 3697826.1850 1143819.6760 1561840.5990 4449676.7830 1862132.1470 10967145.1400 1534454.9050 4913738.2510 5474705.8770 3259136.0160 6324634.3520 10222614.8300 4486578.8370 3740250.1760 4440000.2020 2828016.4900 1903114.1080 3690068.2510 4027098.8060 3543976.5140 5194371.9340 5901654.3720 2880514.6580 4055465.5720 3675791.9880 3550180.6980 3428158.3710 1750459.1560 1228187.8360 2201672.9430 17543095.1500 12262580.1800 7212091.5950 8162521.8100 4387920.2540 3003322.8670 6850635.9790 4275979.8320 1715749.0630 7822839.4880 6973872.0530 4577128.7800 5529397.7190 7106640.8870 1807389.5890 2053074.6390 2887397.4820 6660499.3090 3726412.3230 5466799.8510 4875392.5690 6139443.6610 1854749.3580 4347133.2290 1472811.8720 4558736.8550 4293542.0020 4692192.3550 8216292.2870 2722150.8350 4011540.8380 9462843.6620 4389086.6060 4158979.0560 4588693.6350 4776072.3440 4255437.2050 4659762.0150 4132854.7230 Oxoamide Oxoamide 21430281.9900 649073.3716 471941.0150 503843.1691 34094172 573689.2522 511952.9690 21218933.7300 1048551.2400 1068151.9430 509121.2431 4463285.8760 1284532.3040 533431.6551 12548722.9900 485432.2766 681931.6839 791296.3308 7349893.1030 5337325.3880 675351.5288 12248550.3800 542465.0197 623268.1926 446268.1855 1654285.8930 354459.3775 13095776.8300 6461587.8400 3814284.3230 555620.7839 319643.9763 663578.6970 538988.7745 520775.5769 599739.9508 429492.5104 418686.0475 14324272.5400 586124.8233 405604.9584 435132.9852 666129.5949 575766.5434 2019693.1950 607291.3096 606142.1465 5504228.1610 67557586.9600 567337.4744 15052258 9805245.5540 25381070.8900 627364.1365 35462831.3700 24073777.8500 579308.3610 965154.3819 491365.3198 479919.8053 618063.6750 5952475.5250 462284.6769 568954.2116 17719323.2800 590202.6162 468742.7208 2593252.5500 36232947.0800 10049957.4400 1304153.4050 618592.1345 647880.7590 7019351.0620 2550096.1410 3115512.8260 3224964.0730 2375202.1280 3772417.6470 2737206.8750 2643750.5130 Oxoglutaric acid 2-Oxoglutaric acid 166446137.7000 116028685 145396105.2000 103015748.3000 118546334.4000 75420413.0800 67998371.7000 133576112 67679853.7500 115989445.2000 81645565.7700 113894332.7000 54668389.2800 74657047.4800 63853662.3200 46191670.1500 58942746.2000 102232404.2000 54463471.0900 241359002.5000 103282572.7000 203994086.9000 209779018.3000 98019410.8000 102830058.4000 72832368.7700 89107938.2700 103387903.4000 93014243.4700 96943700.2600 127365063.2000 62854437.1000 99507693.4300 85176590.7100 201508912.2000 108778025.2000 105692588.6000 59651708.2200 50210617.3900 48312742.5700 60815153.6900 90374915.2300 67787167.4600 172708799.1000 145521960.3000 100612885.5000 89291933.9600 117261049.9000 200302041.8000 105500761.1000 44914017.7800 190297852.5000 105573434 153178000.9000 54179020.8000 156763259 160495661.7000 158132018.6000 160616391.9000 198518830.5000 142326178.1000 99737665.2700 127928634.1000 221103548.9000 61643250.4400 194391755.7000 127619745.4000 70021566.7400 161392624.2000 98526466.2000 204437968.7000 63485095.0700 88202060.3600 241813046.7000 98973197.1400 101447307.5000 99937047.9700 92144546.8800 108964547.5000 96411302.5500 98679943.8000 Palmitic Acid Palmitic acid 1421927967 3325020060 5329772749 1134581800 3801797348 2717258158 2753339316 1539232805 755314103 3540585023 3560335804 2394022932 1551340495 1241729125 1592534367 2796209759 2259788466 3389629117 925991784.7000 3085581671 1353820504 3253873844 4799242125 1221225586 1085293567 1069061402 908282217.8000 2183676336 2489164740 1128969443 4081597018 1163126048 1874169190 2601785372 3309963171 3161416767 2584089743 4257195879 1275969967 718568603 1869187984 1837662629 2614808411 3245057362 1963782460 3006620007 1074269714 2681553838 2572652238 4056646183 2832924974 3009467951 3311730379 1341899039 783836242 2389347487 2696914220 2741727377 2121877910 2112952107 2298515478 2654094061 1751570791 1355499278 1331259792 3118522598 769668151.1000 707037827.4000 1511989728 2267469895 1846315674 2223912821 1107261858 2909788416 2244740229 2417845996 2386605761 2361404219 2371339079 2269700687 2333782159 Palmitoyl sphingomyelin SM 18:1;O2/16:0 252370723.8000 257969733.2000 86435769.6300 132605904.2000 136793169 474969401.6000 278629871.3000 256493969.9000 109922345.3000 130307321 322431703.6000 303398105.2000 312988322.8000 93338465.4800 157832034.6000 166457549.9000 189981674.2000 265441430.3000 174258574.2000 169118251.6000 249176419.9000 103573214.9000 106942372.2000 280018189.4000 115839595.7000 151485658 108794746.2000 139181884.5000 55744734.6600 47844691.1200 175267753.8000 114609296.4000 160922311.8000 273415392.7000 122663181.6000 164680289.2000 204370755 301455311.1000 102156368.6000 103495397.4000 156835972.1000 124649251.6000 230603332.5000 86817183.2500 105136620.8000 167741281.5000 283511267.5000 209032712.5000 438977399.5000 278215134.7000 143097067.1000 130187552.8000 383082688.7000 256237006.1000 183701414.6000 193453789 157432622.9000 114174584.4000 180041501.3000 104936300.2000 195974687.2000 198720118.6000 85612271.2500 164260565.8000 225172142.4000 186504946.4000 180135524.6000 52064106.5900 159634014.6000 133412147.6000 47491452.2000 170919277.4000 110049333 107495252.9000 101251847.9000 124239523.6000 168868776.7000 78567539.8900 104111501.3000 115338700.9000 126992987.4000 Pantothenic acid Pantothenic acid 3522063.6160 3636564.2970 4189651.2860 56287729.4400 4467746.2190 3621542.8860 12698649.6200 9261321.6140 1918510.5770 3352792.8650 3317803.9880 3074710.9960 1525684.2940 1782117.9930 3082802.2210 6415135.8360 5065186.8340 5841466.6090 2806162.5580 11205642.5200 6584827.0380 3729702.8330 17537676.1600 8761486.4950 2429738.4740 1742533.3520 3387314.1000 5785055.6830 11042220.7200 115102008.4000 6385176.2050 13008500.4600 15555945.8100 8467189.6790 6535879.4430 3329801.6040 1880732.3040 18274671.3700 2271794.9890 3443602.4380 2444658.3700 2515893.7950 16708816.2700 1077776.3430 1769913.7430 4894433.8280 2428359.2130 3528825.9170 4440072.4110 3524943.9100 954541.5979 8293136.3880 7112409.8000 16438332.3000 732255.5508 17288437.2000 10411082.4700 15588321.7900 2822814.0940 8690000.8250 28229587.1300 5983064.9940 4891905.3550 5648041.0260 3353677.6690 6156174.6900 1791286.0590 3646060.8310 5896988.0230 21731961.1300 8209422.6870 3810116.8780 2906999.2930 3641405.6190 7455270.9090 6835016.9160 7036818.9630 8086228.5770 8002770.6080 7650233.4020 6503821.0240 Paraxanthine Paraxanthine 1249308.2630 1789997.5380 3106190.4460 5367513.5840 1340018.7740 2412594.1220 6326599.9000 17900766.7700 2501079.0050 3735563.9820 1249359.2300 1270359.1760 7015477.9330 1093715.7680 1546596.9360 2882944.4100 1474726.4060 694200.5477 682376.7484 16160089 6520844.6270 8735863.4410 7787737.3320 4401182.4330 2008085.1080 1315337.4880 4365875.3960 2188468.7780 6186788.4010 931196.2982 5745266.0370 3157085.6510 10053515.6200 2044485.8460 5794694.1990 6171205.6240 5047331.5490 5600655.2960 1669031.7480 6081427.7880 2655853.7940 5218583.4520 4955199.3600 2122509.1600 10908699.1000 19728525.4700 3336500.9290 6035695.6430 682783.0091 5956958.1790 1029247.9220 19689901.3000 1806781.7510 3993179.5390 9650458.8000 2678398.0170 585456.8427 2988480.1490 5314763.9820 1749966.5460 3856569.4390 1964844.3290 1011879.1870 2994188.1440 4303218.5230 5531726.3700 3622245.3070 1546621.0530 7224395.5660 1972245.2650 1775483.2860 7399787.6240 4084419.0110 3193798.0080 4841287.7830 2584719.7110 3870497.4260 3692293.8290 3825440.2790 3488745.8790 4301178.7530 Pentadecanoic acid Pentadecylic acid 13263364.7400 47035704.5800 46749561.3500 14463386.9800 80112921.6400 29400474.5800 29520515.3100 19401490.4800 4823447.5880 44072775.8800 33536191.5300 17946915.6700 15477012.4300 16795212.7900 15560414.1700 17296586.6100 26299895.3400 35287266.5100 11585787.3900 35876826.7300 15121144.7900 25836226.6200 61696839.2200 24773672.7100 19686849.1200 13732883.8400 8346437.8200 35319643.4800 61243429.6000 8563570.9630 52273416.7200 19096607.2200 39082568.7300 30102549.0300 79489257.3100 45467211.0500 55874321.5600 59470582.3900 18171812.1200 5126080.3470 14113620.0400 21735302 42648614.2000 82653769.1300 81023908.3100 100745592.8000 5932851.8090 22412884.3800 12188173.8000 51540056.4300 18247806.9000 59299277.7300 42176108.4600 14460547.8100 6809954.6530 18351887.8300 55432812.1400 40254471.5300 40253948.3300 41999883.8300 19093092.9600 37955122.1000 24380520.5800 22385807.4900 18796856.8700 63141809.5700 8230611.6350 18875544.6200 30378692.5100 54406748.5000 58353208.3000 29079561.1400 21439573.0200 48254382.9800 30010116.8900 32160993.4600 29257715.9300 23259201.6100 31293676.3800 32862701.2600 28998097.9000 Phenol Phenol 20181750.0100 16617432.5500 1046721.9770 5442389.9110 20939766.6100 18073698.7800 440194228.3000 12292637.6000 5057144.0140 15187879.3900 12107417 381415.0383 15143341.5500 11074858.2800 5859541.7500 9193699.1430 9366840.7330 22491910.2400 476260.7831 4096720.3680 16803157.8700 12350891.3700 6602536.6150 15193608.7900 10434082 13169492.6500 11701575.4000 11030041.6800 10059291.1000 13821902.2800 2814030.6200 50745514.5700 797925.5542 588886.6224 14548730.0400 587446.9844 18261430.0800 14832334.7000 10785068.9300 1547346.2950 12780101.3500 3317998.1300 3019620.1240 5089095.4260 9372423.6800 16410471.1900 21245069.9800 21339462.0900 17140568.0300 5054502.5120 13635573.1800 721872.7418 19075857.1400 283123420.8000 783874005.7000 68233729.4600 399698.1323 20890857.3800 16469355.2000 17308650.5700 18192926.5400 12567221.1600 14952325.9500 3841058.5750 11368544.1900 13384435.1500 4902976.6140 13562329.9600 17045177.0100 13696897.0800 10270859.8400 15857945.7800 12377358.4800 2607291.2040 25192797.7500 23671467.2900 25469461.0300 25058766.8800 28566567.8100 27396016 21958340.8300 Pipecolic acid Pipecolic acid 101072119.2000 148597686.6000 1178609315 104003300.1000 39620369.5600 167944145 59011748.4000 296612510.1000 40772839.3000 91045680.7600 348665716.9000 268209839.5000 151293014.8000 49805138.3700 36467302.3900 701663952.2000 49459242.4400 145615300.3000 29685544.7800 238830281.2000 80979308.1000 1340774062 59844227.5100 497313300.7000 50031897.2500 64389286.8100 81820639.1300 21889281.6800 159700073.7000 145246091.9000 383256611 440078590 163999808.5000 83387266.9300 155288780 89622454.5300 97012387.4100 588201368 20339586.9100 87730557.6300 53448845.7700 177230720.8000 122604090 66210387.3600 101587028.3000 135814919.7000 60074376.2600 79750827.5700 353264888.3000 112292093.6000 167256883.1000 207236901 44207837.1700 223320863.2000 52622622.8100 152369132.1000 32707174.1900 535570387.2000 498797226.1000 100383562.9000 103382656 66654619.6100 47145940.4000 70366750.8700 61900687.8300 99479123.8000 36843889.2300 1022840047 71882534.6100 154101839.2000 80022689.2600 42558662.1300 99691056.0700 282419829.1000 188963813.9000 185849544.6000 191721786.6000 183130157.7000 186432901.8000 189660276.2000 186876127.3000 Piperine Piperine 7076924.6710 49206948.8900 5647951.1110 5342299.7220 5627633.6200 7397141.0380 5916429.4200 33989314.0800 4792264.2230 51923707.8000 145466735.1000 517688657 6743079.2390 24799406.5500 184073941.3000 18808415.1700 11715881.7900 20319785.1600 24211360.5000 12915078.1700 100594251.2000 6466113.7190 55748561.6800 25544995.1200 5346383.5200 48512981.8600 75921705.6500 5069261.7900 4968640.0440 26008295.7000 449969673.7000 15314070.9400 45896927.0400 196011609.4000 36573746.4700 19998511.7900 43723639.7700 4893078.6010 5104054.3340 6070325.4720 4144345.2110 23521325.4600 210886726.2000 6039684.8140 91216507.8100 6620247.5970 74320701.9300 59225847.7300 47183999.7100 6071436.3540 24101769.3100 14726151.8900 23866072.1700 89591350.4500 60186547.4200 43879728.5000 30469821.3300 7052158.9820 46621699.6000 132776138.2000 154408065.2000 10519838.3500 59100314.7500 21445608.6200 7344414.9250 59921716.7800 4735074.4580 47608204.5700 10245444.7100 54628265.3900 9728626.6090 315474533.6000 17083182.7700 8602715.6140 35532059.5900 43270994.1200 42347674.5700 50558135.5900 47121045.9600 41242127.2700 35419381.0100 Propionylcarnitine CAR 3:0 53983649.0800 85740987.5400 73050200.7700 64805201.5200 53804522.5100 68947651.2800 71503970.8900 49080461.0500 43759311.8500 230408042.4000 70840178.2500 64554828 68319592.3100 43057879.6500 53983789.5600 96150893.3500 53735354.5500 102009619.4000 48234654.3300 83220411.8400 98679320.8500 111237400.5000 72946570.8700 106963368.6000 87103569.9200 57255493.7000 49654042.5100 73755357.1400 30374572.1300 41304486.0600 60481765.0400 74900907.1800 110077806.3000 100585911.5000 106628191.4000 136036394.8000 169520560.9000 86814609.2600 91334607.3400 54791939.2100 98869650.2800 81630838.6000 151158482.3000 202247751.8000 207372491.6000 227605064.8000 166356952.4000 69031625.6400 38041406.2700 52719177.7300 47760403.8300 94940349.1000 96751182.6600 108462975.7000 157278199.6000 113274091.9000 21178277.7400 166315448.7000 77009141.6400 80458635.0500 96151850.5600 65587991.7500 78373591.9600 66604970.6400 86351793.3400 201636341.6000 29524111.5400 145446298.2000 37202533.1200 117831898.7000 76351747.8500 124793491.2000 56990887.2700 134198375.8000 92877727.7100 83642356.2200 88678826.8500 92536309.3400 91526902.3700 87366667.1800 88884854.2700 Pseudoephedrine Pseudoephedrine 1607138.8590 1197452.8000 1401073.6940 1188749.4450 1298527.2130 1306007.7610 261595786 1304530.2240 1270760.6260 7434034.9240 1447143.9090 1382050.3290 1518308.4190 1027860.0310 1124075.5010 1369582.1260 1619679.1550 1475891.0920 1374943.0970 1158564.9430 9270728.0060 1040853.3240 1093919.8840 1459702.6330 228288417 1393989.6460 1333871.7330 1296759.1830 1277103.0840 1119207.8650 1377276.2520 1227097.3400 1267384.8450 1298941.7220 1135606.8650 1144581.6170 1594965.1780 1124016.1220 1236986.1640 1400068.4380 8143676.0480 1298038.3080 1314827.1020 973900.9806 1294200.9590 1350172.0850 1470680.0160 1652618.5310 1252223.2890 1806946.4960 1462625.0090 1394279.1270 1469603.5960 417763660.2000 1476598.6140 1593075.4040 1111375.7680 1491637.5010 1236147.3520 1640844.5030 1419380.4860 1404253.1290 1466728.3920 1330351.7680 1591128.5590 1170837.9590 10320283.4100 1372715.3340 1245851.0650 154559333.8000 981611.7998 1382632.1010 1017002.6630 1087148.8370 8437618.3190 6001859.1930 8274051.7290 8108409.6060 7010137.8470 7890895.7570 7550165.9810 Pseudouridine Pseudouridine 136354416.2000 94114257.9900 90084173.7400 153171538.9000 94070627.8200 104206914.4000 116852469.2000 112919276.1000 45574063.2700 77233580.8500 110250503.6000 83869800.9900 76637945.9500 45073129.9800 39626090.8500 101085165.2000 81228447.6900 97364440.9600 39502564.3400 112550406.2000 122733670.4000 93799540.3500 109359998.9000 121816330.4000 32598644.8200 51596727.0500 49911693.1700 56212520.1300 40646166.1900 85329121.7700 68108289.5700 114527682.9000 107861854.7000 123250604.1000 80396973.2200 120698034.7000 89867427.4100 89958359.8800 49242572.8200 40432102.7700 48472584.1200 57335899.8200 116692168.8000 76391831.6500 92010538.6300 95316338.3400 121383129.9000 100631673.3000 82116301.2600 118142843.9000 47925326.4300 100526315.1000 136671518.6000 83885562.1900 81592306.5400 198903009.8000 45597892.8900 84427858.8000 106860362.2000 120382406.4000 90373949.8100 99935431.8300 82343947.0900 103434233.9000 46205310.5500 92622626.4800 68591592.7200 113672840.3000 139408692.5000 70471894.8200 83554282.4100 107550714.4000 103142047 127080418.2000 71944274.9900 79253684.3300 71592477.3900 75391540.1600 77492212.9500 70287467.7700 75311122.1000 Pyridoxine Pyridoxine 477133.1960 449092.8401 473975.1505 2696298.3780 305357.6039 431596.8759 55735214.2300 2630228.5780 658674.2742 2704794.5510 2652918.1540 659342.7793 4689226.3680 644796.7406 2093316.9070 332081.1369 45563665.7000 482583.9693 328780.7446 317540.2501 1745914.0710 427384.2173 737706.7387 991183.6758 213623673.7000 234372.2965 415479.2708 333068.4364 712707.3655 2088406.6230 45460106.8900 656702.0167 999071.9076 438320.4592 3803596.0230 747858.1166 478305.1257 312465.6628 258171.7354 594100.0873 872787.2070 205875.9518 853886.1943 692900.1165 578376.1617 1276953.3460 463109.0019 791160.0545 12417776.7300 2566218.2460 719267.0863 319635.0723 1576456.1380 201164110.2000 142854944.7000 41378329.8700 732522.2161 587436.8980 717685.3331 714705.6275 6018022.3950 733301.5593 639755.1932 517612.0742 545267.4811 788337.3457 4295162.4950 974087.1828 260974.8587 27546632.2000 345040.0925 415464.3911 353136.6597 584498.4936 11904752.8800 14847592.9900 11541164.2000 13696694.3300 11452126.8000 12402797.8600 13416316.7500 Pyroglutamic acid Pyroglutamic acid 789057833 630238936.2000 709723388.8000 338308665.2000 941374305.8000 929202157.7000 823715588.9000 946582241.2000 363578648.7000 571565967.8000 329360946.5000 404335026.9000 1003179520 224801482 259209333 563031608.9000 188793812 717287744.9000 278343097.6000 685429239.7000 373281527 736786436.9000 622014387.2000 890813409.9000 725918168 311645465.2000 360617390 351368898.7000 370374292.5000 794733272.5000 955583999 497779953.9000 866589685 814596267.3000 723706683.4000 1082500737 356034514.4000 630571064.2000 320407819 271393162.5000 311259344.8000 469898637 1184848997 1661651398 1306874432 584818686.2000 1061422602 406637169.1000 789228007.5000 890136521.4000 308658341 755216951.9000 825042574.7000 798506301.5000 589681691.2000 356719999.8000 258691073.3000 421197324.2000 726352865.4000 792628352.5000 560976673.5000 1092633633 742100023.8000 1798461959 386275894.8000 1246392707 495862733.6000 682049940 654970928.4000 1247861099 1737250037 670742649.5000 1153772098 1150416952 690742332.1000 503616947.4000 502780737.2000 504324889.2000 698908132.9000 682582893 506099517.6000 Pyruvic acid Pyruvic acid 385236319.5000 382642769.9000 472085400.8000 659438315.2000 501559931.9000 322702240.1000 446914626.6000 515126687.4000 685270235.1000 574989212.3000 487672014.5000 386353012.2000 356493536.4000 459759143.3000 292712750.2000 738779178.7000 640037286 388100393.1000 625193189.7000 515445852.1000 945109196.2000 345828397.4000 682056927.6000 1217826862 293009865 362058733.4000 702164161.8000 527559736 533199195.1000 258497173.7000 268126566 652201316.5000 737774716.6000 333186779.3000 728523000.6000 607467156 537934169.4000 249685413.4000 546235789.4000 501204994.1000 532834485.2000 717480556.7000 370437924.1000 365707542.5000 583438900.7000 523104890.9000 613702888.4000 641262704.7000 453476391.2000 537924457.5000 235604488.2000 302053857.7000 546074798.4000 463388223.7000 587666399.3000 218730078.5000 707857438 779732886.9000 281978995.5000 905330636.3000 588603167.5000 357618132.9000 393753717.4000 596937370.9000 585033126.2000 1169182713 816958133.3000 270850414.7000 228834078.1000 411122561.5000 552163021.8000 109202969.7000 325774797.1000 799709252.2000 476898578.8000 491841888.4000 489490299.6000 507850756.3000 462459424.9000 460853934.5000 502700503.3000 Quinolinic acid Quinolinic acid 6908188.0380 4955259.3660 5353714.8580 20901321.6800 5161227.8730 2654825.1940 3934472.7510 1599063.3760 6129970.3160 1113542.6990 2846150.4810 1951226.0370 1652906.1140 6714092.7420 5506900.3240 1826328.5340 2657925.3290 4349830.2460 4384504.5970 8576075.7820 2319197.6110 5942629.8460 7726754.1370 995752.9985 4578855.3800 6301615.1620 5347630.6990 3568799.2370 6263661.1780 1081084.4860 6407283.9980 2121767.8930 3400621.6620 2250424.9240 8224580.5930 2550156.1730 2800021.2900 2832580.9000 3988895.0740 3850389.2450 3873192.2260 4750291.8960 2064887.3210 3895287.3630 2616067.7360 3122152.1660 3143925.8440 1676749.6400 2598253.0880 6420112.8350 3492192.2290 15153394.7600 3024698.7710 2708090.0850 1194818.1170 10197357.2800 6075347.1470 3757696.3110 10588680.7900 5080683.7660 2204425.4430 2071423.0010 7585181.7100 1085684.8010 2311056.3360 1579779.7470 4035185.6480 5733222.3220 8892669.2240 1583977.3800 6990164.4770 11571710.1000 6967496.8740 6363650.0060 1986247.7920 2598504.9400 2515161.8800 2109037.8350 2885146.7300 2421019.4210 1996651.7850 Salicylic acid Salicylic acid 3332591.8040 2300075.1000 695492.4809 7287801.5690 532286.0146 3429890.1270 3216076236 31063949.7200 912281.8669 8928541.8420 709996.5567 983630.0710 121677634.1000 821357.8480 47685330.9100 1658027.3680 960622.4724 3770844.7910 2518708.8800 3850189.2270 1022472.1420 633104.5426 4089306.1020 1892784.8420 613026.5591 1016383.2740 2350478.1680 855922.4261 792854.9687 2506017.8530 8241503.0320 1057956.6450 5366353.7410 3993612.7850 4825918.6500 616914.5483 667042.1450 2483019.9390 902269.2336 1163048.2240 1005061.2220 845926.7253 11538173.3400 4726419.6060 1926470.7830 1433693.2490 1836705.6580 1443154.2190 1421562.5130 41352136.3600 1061537.3770 3931555.7360 3118431.0670 2141559355 6509027313 451019349.4000 495518.0122 1378009.2920 1802674.1050 977658.8734 22356889.8900 678017.4895 1612945.7980 1940676.4420 3368967.5650 3236061.7220 44063276.7300 5801771.6700 2258261.7180 967680.5894 560291.6100 2325051.2080 1658018.3560 632192.4052 194231033 186860032.4000 189973610.8000 203375874 192037107.8000 196128597.3000 186007899.2000 Sarcosine Sarcosine 102812002.5000 58962173.5300 30828881.8300 46892263.9800 14558362.9300 83027058.0200 84947221.2500 143451600.2000 28223766.5300 75233805.6100 83432890.4400 123296560.4000 64939360.7500 13982052.9000 22151211.2400 60718639.5500 416587940.4000 60429981.5600 33519622.4300 30792817.1600 61605711.0500 55103338.9500 20462228.7600 112492029.1000 74070519.3800 33317681.9100 22653401.6200 23186202.5700 10625352.3900 282932405.4000 29399547.9700 83335773.3900 110278423.5000 66224820.0200 19636809.8600 50750594.2700 76848396.9500 56633155.6600 18238588.0500 30060344.9200 37423286.8200 17005875.8000 87715890.7900 45471117.2300 69738298.2500 127729292.1000 111614398 55967181.3700 63515299.8100 85554656.8500 21834831.4300 29923689.2100 50826083.1400 113623843.5000 40279400.0200 74137304.7600 34118417.6900 194861481.6000 26777127.2300 67007297.8300 136042452.9000 65990002.2700 37911397.9400 113952215 30164605.0100 76300862.4200 38044977.8100 21525385.4900 66588371.3200 55360542.2400 21917474.5500 30695423.9600 38467820.4500 24370440.6700 63142023.7400 60755618.9400 61614908.7600 59939212.7300 64858644.2000 61899514.6600 60905507.1400 Shikimic acid Shikimic acid 640362.7941 359414.6098 207060.2686 313467.1664 268701.8373 231432.1613 627489.2981 773431.9293 7170953.9550 204018.5222 348557.7988 248801.8836 370361.3923 8009279.4810 6825560.9920 407691.3051 641458.9653 290168.6245 9007553.4100 255131.0376 519773.1021 184694.0083 260321.0933 372509.1845 281333.6859 10485876.7000 8121300.3100 9460823.2430 7377385.0110 559531.4215 240415.6429 438541.1924 452877.2087 404673.2748 479048.8063 251701.0630 263960.6340 331098.8893 7520025.6110 9775061.1320 9606792.3530 4488029.5820 337430.1955 354253.8042 551484.2899 540595.2830 759616.7845 541616.4379 429014.6774 646239.2145 5950035.6430 226687.4367 383908.4394 562048.4145 393911.0521 394768.2018 7663149.7450 358018.5669 497104.8340 307253.8128 512733.2232 252259.3905 399143.9889 625995.0594 5141462.3590 595180.7136 8729422.3670 299694.0479 317986.4118 692013.7214 108601.7838 452035.7119 168458.0618 381957.2587 3627906.6940 3470172.7310 3327690.1270 3449163.4980 3631958.5150 3486721.2400 3486299.5950 Skatole 3-Methylindole 26888608.9800 23225678.6400 20566341.5400 22215007.5400 21587595.4700 26389529.0200 20588268.7000 16292164.8500 16593122.5800 24143957.6400 24482659.1500 17840256.7400 20610382.4700 12369036.9300 11990716.7100 30968523.3300 27827291.9100 30143724.3300 16337859.6600 29850544.5600 33218162.9100 23847845.4800 17286123.4800 26379301.4300 17757182.6700 16241122.9400 12832438.3600 15090115 9683308.2730 42779338.2600 22669485.4600 26652578.2800 25441364.3600 26125309.2000 22713619.8300 24240853.2100 21575706.6800 20468346.3500 15259771.4800 14505976.7500 17584910.5900 14824121.9900 34651049.9900 26169879.2900 22955271.2600 29468902.7200 31126152.2200 21823997.2700 11687280.5000 26075607.9300 15033918.4400 26447822.6200 26713340 24669226.2900 19028249.1200 12636964.8500 12682459.1800 21078491.3000 26583532.9700 19293450.3900 25910503.8700 25502913.6000 27016165.0300 23898653.7300 14875006.2400 27349108.8700 15607852.3300 28714279.8400 34075057.8600 29418453.3900 22395420.0300 34228481.6300 25616709.2800 21059853.6600 20179024.4900 20919946.2600 20821432.3700 22281481.3500 21222350.3500 23165789.8100 18136979.2100 Sorbic acid Sorbic acid 400758.4533 384403.4710 305570.7441 337185.3037 208658.3893 461215.5615 410918.6510 347543.5485 9292434.2930 298511.1574 430196.4328 255882.6994 395980.9268 7728667.7070 8360931.3260 245088.2982 432894.6258 355702.9051 4669225.0810 225436.2244 498778.5187 269907.3257 253049.1826 423480.1447 182697.9016 9654479.2450 6513590.0770 3806312.4380 4243355.2790 357983.7349 370267.3554 2348099.9680 469429.5632 198470.1755 191053.9083 269583.7604 211733.5198 430599.0465 9969768.9440 6079471.9490 10130736.6000 4315224.1610 253398.4721 247590.4136 1104059.0150 346873.8034 358382.6957 249112.6899 423487.7819 268423.0535 6945763.9780 270713.1954 454873.8516 300721.6885 653907.2745 266478.4701 16294237.8000 255960.3629 273282.7452 504261.8672 481127.7402 400073.8586 671548.7828 409100.2967 7793165.6000 437271.9290 15668104.6300 547569.2109 237263.5752 283876.8706 324981.5976 349291.0035 952823.6551 282309.0233 1608594.0590 1859095.0470 1943518.7160 1950392.3540 1449130.0360 1649788.8980 1890963.8550 Stearic Acid Stearic acid 2132524154 2124266016 2502609481 2255871652 1687821301 2632865986 1494876587 2210822735 1616423877 2004580017 3156711815 2061147828 2718748541 1277549103 1843524251 2758873282 2780075240 2453705209 2039815196 1674838132 2493509590 2650022914 2629364006 2084884926 1663392519 2138261510 1773695433 2008741317 2072731305 2026365644 2159833110 2203426313 1618587289 2105772791 1997051142 2342260458 1584263331 1853185501 1894380095 1315664929 982620354 1827805457 2743341887 1754684910 1926148728 2850747684 2004661218 2935571594 2796065300 2585586773 2130307564 2030424321 1945234392 2168024486 2146866425 2266925646 2342302682 1999048755 2328405170 2071205258 2148490528 2367005618 2945905785 2596133526 2093315504 2700669837 1567091867 1454347650 1459993011 1353721794 1109851801 3037716344 1152803377 1561582770 2813508945 3235029053 2568601520 3570197728 2837893235 2837185331 2971604739 Stearidonic Acid Stearidonic acid 12591542.0500 28219272.9100 10324482.6600 4917008.6410 4489295.6280 18981960.1300 9532945.3980 13986683.3100 15120548.9700 23886659.6600 27765641.6800 29175592.0800 20770397.9400 5832171.4130 9804296.4860 5057493.6570 11930556.9400 14255207.6700 6707382.7900 8878544.2830 16873448.2500 6089398.8390 9418328.3860 13763344.9800 10711822.6300 10556649.4000 4985550.1400 7415845.1830 4962771.9600 7701001.0740 8946000.7810 8029352.8850 17984612.9300 13350285.0500 7135613.0610 15183595.5100 18077312.6300 12896069.9500 4630344.8030 7968456.1400 10684204.0200 14380606.5600 12627151.0500 10165047.9900 12436494.9200 6095755.8750 12553410.5300 25144586.2500 7661118.6260 20750791.2600 9956704.1520 5496528.0120 22837546.5600 18037760.7400 11241563.6300 13748890.7000 5479550.6750 19036986.6200 4240270.9410 29753007.2100 21553406.7000 12912459.5100 5795756.9270 14834610.2800 3959264.3550 17249812.9700 10433349.2700 3322535.5820 4109318.7750 19254675.8200 7193798.6920 8011945.9800 9185258.6540 5456837.3300 10790063.0800 7915282.5520 9057268.2170 9609133.2980 11250126.8700 10424399.1400 8321475.0810 Succinic acid Succinic acid 17088857.1700 9924712.8670 8956267.4270 5738675.1590 13989740.5600 21307759.6600 10922104.4600 7110638.0440 11420619.9800 5156175.7070 13400463.6600 6505006.2870 8168637.7560 16934032.3200 12998238.0300 12108614.1800 9525946.3830 12229632.2400 6786418.1520 10110379.7400 8898579.9620 8482706.9250 10095794.3600 10320233.1400 4079981.2690 19777960.2500 18961271.4700 15309476.8000 23361248.8300 5655191.6100 8613727.1670 5549834.3240 9362518.2970 13476237.1500 16310085.3200 11725538.4400 5946534.5630 6347851.4290 10184266.0200 30665122.7500 10033572.8200 14600705.4800 15155656.6600 13144577.9100 10213250.4600 12245825.5400 8571909.8380 9970945.0380 16618334.8300 15210635.9500 25727961.8100 9717209.9690 11830649.5700 5524809.5160 5756958.9110 18078290.0900 10156406.1400 10725874.8800 6519648.5650 7455118.9480 6513341.4920 8303486.8410 8568325.4640 9170441.0070 23905192.5700 13891004.9900 11292823.5600 5968152.1340 7650178.8520 6523629.9800 7999120.2550 7727897.7490 7779766.6270 10580248.9600 12611576.0100 15481866.7200 13325949.4600 12002104 13084533.9800 14423662.2100 13257604.4100 Symmetric dimethylarginine Symmetric dimethylarginine 168131718.2000 122772069 138580070.7000 203105460.1000 151953767.2000 120507018.1000 170078160.1000 161844626.5000 108466337.5000 112731635.5000 148951234.2000 143972762.6000 125710560 64534583.3000 84654084.3600 122632759.8000 154784077.3000 151761587.2000 89284855.6700 156769808.7000 144787337.7000 160398395.8000 158637191.6000 170494775.3000 156688717.6000 124807323.6000 108533880 119061003.6000 110373158.8000 152636098.4000 114414890 176051894.3000 165399101.4000 157487179.7000 127435816.8000 169633402 125791060.4000 180929977.4000 91943334.9000 77912283.4500 74434445.6800 102351312 151602441.3000 95780583.9100 134503037 117553299.7000 164273390.9000 150091810.6000 130953404.8000 152789030.1000 111797745.7000 185893158.3000 180017390.7000 144207098 197068184.9000 259985299.2000 87057913.7100 128908494.1000 146016081.5000 149018522.1000 129052874.4000 152763500.3000 130519905.1000 165132977.1000 121701765.7000 144583825.4000 140924164.9000 146106513.8000 165317629.2000 160931937 118344044.5000 147217849.6000 135857805.3000 185074547 136428774 129416812.8000 135704495 133459231.6000 140255018.4000 134101148.8000 130951760.2000 Taurine Taurine 1515402804 1536671666 1563948871 1340351472 1227710107 2305030401 1326265893 1169090748 1137326910 1241302387 2071124264 710333078 1204461068 826488748.9000 908948343.8000 2555620441 1283778361 1476244296 896754332.2000 1112678438 1972024742 1081049759 1274282112 1921939096 1138976882 1403085674 844954458.7000 1105598335 861897440.4000 885359174 1788973197 1458282579 1606634973 1730944563 1366167549 1040597314 731777147 828759146.7000 810613932.1000 702155612.2000 1187117608 1277755338 2262820475 1162490870 1507063587 2355316938 1329366712 1739422595 977662749.5000 1878160597 414872947.3000 1416000339 1177225730 1424834436 1540266027 2842253366 970879615.9000 968287800.3000 1111171598 1287255030 1048717938 1155415175 980895242.4000 1359688565 883105291.2000 1153052149 1153763987 1510720226 1086478020 1315520371 1058990560 1444866042 1082944546 1045598121 1510552135 1444372107 1429275183 1373369360 1360121279 1565749089 1444910958 Taurochenodeoxycholic acid Taurochenodeoxycholic acid 17316991 9767446.4520 2304908.2130 11206536.8300 1069816.9350 1030972.2980 1127037.8270 27019198.1500 11817046.7000 4157999.9910 1566489.5940 815402865.7000 4291905.9870 6868246.2990 5174849.0490 732398.2281 14981546.7400 1401980.8860 5433934.9020 795770.7802 5971741.5190 65006438.2000 1590812.2130 3547151.2440 21525643.1600 5655999.9050 1162558.1080 1053333.8930 852114.3216 15874070.2000 1120559.8700 1712523.3730 32947179.0200 11313728.8000 6555146.4170 1142545.5220 3041891.9530 1096516.1870 4604804.0310 2079246.0870 554386.5929 492450.8361 2414477.7430 3387928.9980 8137078.5090 4929028.2250 2493614.4530 8331022.2180 892711.6969 13590474.1700 1530364.9060 770281.7483 1674933.8220 73416622.0700 3520890.3740 6267143.3280 3232586.5690 4078412.7920 1600640.9190 14415654.6800 2997871.0030 8250169.3120 1465754.9470 6114188.4400 4166540.6800 1134057.4240 2818450.0170 3253715.9300 928649.1738 3223370.5450 11643767.4900 1596408.9710 6936022.5090 2166003.8660 15603691.1500 14290146.8700 12466033.5200 15650547.1400 14219201.1100 14391831.4700 14829437.0200 Tenofovir 367198.0999 364000.6071 307707.6774 274786.3130 298153.8512 368609.4201 283538.6201 324559.7408 227291.1642 342962.0159 354339.9440 546479.9627 354955.1121 197047.6504 198618.5909 313642.1464 316053.3012 404400.5989 246580.0975 359265.1995 366376.1729 319680.2808 324382.7006 7895801.8690 347831.4086 232604.8969 23733974.5300 200250.9926 193659.3254 335123.1242 343716.0657 38853939.2200 28270537.9100 359473.4996 299275.8955 340855.7473 340149.6863 265770.9125 241641.5697 222819.5745 251272.6661 223256.2206 354039.7759 12843442.2400 5922191.7700 11105756.8900 448486.3208 381145.3842 292849.4861 313022.4047 218598.8079 341487.4881 344907.0797 374598.1301 273881.5798 362168.7955 213163.4575 335071.2607 285743.1437 14961644.8700 373711.6388 348365.6910 305759.4103 298041.7565 224322.1624 287385.8285 221076.2333 250307.0348 298507.6903 311409.9654 191648.0402 313678.2937 254434.7425 324342.0164 1390606.7070 1861982.8590 1377903.9330 1846211.6980 1773675.7600 1684269.1550 1398437.8920 Testosterone sulfate Testosterone sulfate 45625897.7400 64660846.8300 28197780.6100 110563309.7000 226942043.1000 57575219.8600 154735612.9000 155265137.5000 202466523.3000 147221048.2000 171978512.4000 11631359.8800 127962739.8000 41659601.2000 217656689.7000 438450475.6000 216906865.2000 180453726.1000 111295603.6000 271412789.8000 203634763.8000 122217368.7000 144099046.5000 363450559.5000 25138369.6300 409286371.4000 123286754.8000 258554107.4000 143658075.7000 97000260.3900 170130352.9000 248241658.2000 289575883.8000 165137228.5000 330370604.7000 164991452.7000 145806166.7000 136704695.1000 216916100.6000 179936707.3000 170727382.3000 54335409.8900 483124282.1000 128320844.3000 275753956.6000 274528809.4000 173617782.7000 26027320.5300 223684835.1000 108335132.4000 126705800.7000 243620187.8000 49377831.0300 33721242.4700 61197581.1800 65878592 71421531.2600 60114531.0300 210225716.1000 141227886.5000 163656099.5000 249037162.9000 218629091.6000 369519337.3000 71434096.4100 21659468.2700 133590225.3000 294892531.3000 161533721.9000 336901483.3000 297327592 322506800.6000 315391881.4000 113989329.2000 182364702.5000 171254585.9000 184201622 124288425.6000 167555302.1000 178757239.6000 181275246.2000 trans-Cinnamic acid trans-Cinnamic acid 10763549.1500 14148042.3700 8962210.1760 13172792.8200 7653406.3080 11017669.9400 9153237.3260 11881929.1400 5068777.7790 8995540.3120 9560162.5820 14176079.9300 7581425.3300 5497091.1190 6936484.4490 10565725.4300 7927342.6120 10411221.5500 6073306.8740 9713763.1060 10606956.2700 7785035.7650 8657669.7740 10184115.9400 5969379.6180 6098836.0740 6520247.1110 6604197.2570 4975420.3300 12676780.4100 9246680.5600 10911598.0900 12484550.6600 11366559.4000 8472738.1520 10670070.5400 9879832.6830 8177508.0230 7398156.9080 7814834.2120 10221419.9000 6409562.7650 11288227.1500 13515332.0500 15249889.4200 9262645.9470 14046315.1900 7465476.9120 7174161.2510 11234536.8600 6130176.8360 9868859.7890 10858492.9400 10209407.6700 9086034.5390 10047879.7800 5503721.5760 10465743.9000 6962098.9740 12161208.7800 11894616.2200 8475901.5850 10932580.4500 9857093.3180 6191993.9340 9749100.7160 5848349.5980 7462471.5780 10771249.7500 9921682.6510 12768364.5800 8658005.5860 9918018.2670 8574837.7870 8962756.7170 7825930.2720 8774397.3160 9292388.7080 8209440.7170 8535805.5770 8617799.8060 Trigonelline Trigonelline 120359610.7000 320097652.9000 187935697.6000 199735062.1000 7128560.6230 52843677.3800 412170746.4000 1332799353 11759193.9700 18145037.3900 9847391.2980 7586234.7590 1050036507 32742534.1400 10782823.9500 353263751.1000 25333052.6600 52671953.4600 290265844.5000 580849294.1000 275649917.7000 1361449614 54669883.4200 84009262.8700 241240891.8000 23334396.2300 229492941.1000 17667527.0500 111389905.7000 500335360.7000 91373127.0100 249461745 992353790.1000 34877421.3400 779085944.9000 29622787.1400 51762237.8000 131853825.5000 13205061.0500 348587275.8000 19335579.0400 34953351.5100 40922237.6000 163742834.1000 1242488929 698354246.2000 275879326.1000 49969408.9300 4901489.9600 6913442.5050 110499494.3000 230364764.6000 73694949.7200 23802706.6500 1064776797 29299814.1800 12499184.2300 389581027.3000 77867967.3000 23484606.0600 34558747.9000 110478394.3000 11362316.0100 14092010.2300 9128240.5420 69016346.5800 107275446.6000 297608365.7000 255091022.3000 26158997.3700 634056495.4000 185794957.6000 324886353.5000 129167815.5000 229310294.7000 236897718.9000 235679015.9000 254679088.4000 238689060.2000 223058885.3000 236318204.8000 Trimethylamine N-oxide Trimethylamine N-oxide 101705890.6000 44721458.6900 53184881.2100 420778654.8000 68896349.0500 32050945.4100 41100922.9600 147040632.8000 57229381.5800 1035432402 56835589.2100 126681836.8000 155363797.5000 100505514.3000 55916801.5400 90740017.8400 110146035.1000 38406201.3400 17685167.8200 80646573.5700 612290358.8000 60419136.3900 59760026.2800 47466888.7100 107897839.3000 143684864.8000 60619960.4800 133440433.1000 115865513.1000 73538396.2800 40564882.8700 360367903 77480366.0400 117973835.4000 102087834.1000 417033349.4000 159324069.1000 1267003680 64332508.4500 131504301.4000 116814690.3000 44436655.6600 266544486.2000 61353185.7300 74128988.1600 583622429.6000 424269436.7000 132948241.8000 162210725.5000 91176391.0100 36907709.2900 46382952.2500 35930133.2200 204975682.3000 384452554.4000 379811876.2000 73410058.2200 81550645.0100 154910940.3000 56848232.2400 22846398.5100 61842458.2400 35376981.6300 158293605.5000 150412340.6000 218053428.6000 63945599.9900 517576112.9000 358483613.1000 119465010 54039631.7600 99860142.0700 148656714.7000 68962901.5400 157312946.6000 164560192.3000 177643023.6000 164472424.6000 206818751.2000 181187352.9000 131378272.1000 Uric acid Uric acid 3041523642 1964142236 1755493217 1945856710 2231758617 2542980169 2345488811 2127895323 1331899012 2283214984 3783308508 2192541553 1929368053 1430066763 1287792580 2781679655 2506288563 2731619896 1251161723 2294270491 2563109944 1945286377 2768780943 2312611351 1901481327 1379032267 1444519315 1112193985 1244703596 2374441271 1850103851 2259911383 2235967502 2450580600 1991044373 2183342605 2180015714 1775724070 1232702374 1157839335 1419026222 1379699622 2474541819 1777341772 1740053206 1766472922 2332459980 2378735555 2107696013 2541418552 1304157880 2027828338 2151149540 2093593059 2830056011 2935323941 1130315844 2088129802 1973472080 2401913692 2153830893 2662097321 1786349792 2012292176 1294469523 2814140686 1292791628 2050220246 2244884978 2279826263 1692254236 2563241545 1953557012 1936846582 1843394165 1790208598 1840819271 1826612368 1736022026 1837048777 1833419739 Uridine Uridine 41013253.7300 23934987.4600 72154156.6900 28410107.5300 64347849.1700 80708576.6300 42477759.6100 52533603.1400 21358129.8600 55366366.5100 53389100.0500 39386620.1400 27575932.4400 53389950.1000 22950668.0400 71466427.4600 18776552.8000 69345870.6300 32251778.7100 93276978.8300 67960210.1700 38104643.0600 61687699.1000 60012696.6200 37242671.3900 43202377.5500 21964552.0500 53343256.5300 45508187.4200 21014914.1100 113301338.3000 58757086.7400 39374448.3900 78236646.6300 44736951.5700 60500040.1700 15853149.6300 27793157.5700 21016059.9600 33273812.2300 31335545.9100 47043309.3100 66885679.8000 28873474.8200 40165508.9300 51383462.8100 35496172.2800 45462726.7000 24403069.5100 60122762.3600 17103213.6300 55033425.4000 59248146.7000 42472242.1000 23707688.4500 32514122.8200 32475994.2200 38256907.7100 47837099.3100 22937399.3200 32510423.6100 33224893.3200 40232528.3300 54824305.7100 23593259.0100 42761230.3500 36722122.4400 26885276.3900 45579751.4800 60995679.2800 53339963.6700 49467444.6300 44159424.7100 46920737.2200 39003198.1600 35898857.0800 35111866.5100 37896874.7000 40234386.6900 34523002.2100 38041937.9800 Vanillin Vanillin 1381964.8670 779270.0112 13010080.5300 755311.8499 1010810.2190 1281226.8710 584046.0492 2672606.6380 534891.7529 726730.1401 1013992.6910 510239.8030 686339.5582 1474863.0780 1023410.9980 484779.1411 486144.3725 1306253.4680 849271.3731 1206710.3740 750825.8237 791893.5324 1057833.8080 901312.2596 454413.4033 2557395.1930 582147.8855 652755.8929 462647.4333 609947.1153 11205784.8600 1188115.5560 813129.3763 7331400.9730 714159.4416 996519.0378 774273.0432 722502.3669 811901.5545 951291.7278 702694.3884 603359.3459 8265818.8970 448458.7867 741048.6175 2770403.6750 3944724.9490 1178315.5310 489658.6704 778614.5128 665370.1419 993488.6454 1668382.1860 1119457.1190 1055792.7530 1333950.4000 712570.0230 591825.6398 1114872.7360 1392905.6660 1084028.1070 2531076.2580 830867.4868 907704.7337 273990.2408 1284123.1940 2050118.6520 557952.6539 1115737.3790 524502.2300 905517.8624 651288.2891 651565.8415 1107554.8830 1749524.1970 2641827.5460 1811754.6490 2328929.6910 2492710.6050 2098312.9930 2007999.5350 Xanthine Xanthine 31608471.1600 26476681.1700 99180376.2600 22654451.6200 33021957.8500 54310594.9200 16748531.6700 34810185.4200 19104235.2400 19685480.8900 22730556.9800 43353292.4500 16164800.0300 13734964.9500 11157333.2300 25481741.4800 20687730.1300 25270068.8900 14843951.0500 76359604.8200 26821682.9800 36599789.6600 42069443.4200 30877457.1300 12473960.1600 32837429.1000 11546863.0100 27798631.5800 22758731.7100 17346400.0200 94099414.9100 14655525.3400 14269065.9900 44534456.6900 47308170.7100 27000927.2500 14871156.0400 17265515.0400 12597800.8900 12147048.8800 18245651.6900 35802815.5000 19986453.3200 48136432.9200 22622187.6900 24069009.7600 30255383.9000 45171363.1600 40420476.5500 38151579.9700 11088306.8900 76223487.9000 40521148.3400 30924017.3600 15543252.0300 26509412.5900 31370459.8100 19790042.3300 39658340.5900 17998320.7900 15121021.5200 22031985.4700 39844944.1900 42292017.9900 13283959.2300 34934980.3500 33241594.3100 57312481.3100 25163322.0200 20832454.1100 64841872.8900 30800292.5100 29930500.6400 47144559.0400 28687096.2700 27204752.3300 24738138.6900 28427021.6100 32169550.4200 26808111.5400 26328428.0900 β-D-Glucopyranuronic acid Glucuronic acid 7579883.0650 5612145.8600 1471162.0110 8815925.9160 1680405.0950 3736827.6450 7111156.9470 6761551.0060 264598180.7000 2722322.6560 5106697.2450 2692200.5410 6061472.2220 217665855.1000 185771251 3928111.3410 2611296.5230 8086133.6230 252206458.4000 2388566.4350 5149982.5500 4113974.8080 2109893.2900 6173614.3270 6170666.8160 253287773.8000 217133165.5000 301938848.1000 261265239.9000 5830604.3170 1918988.7900 3098744.4590 10547541.0600 5718308.9420 3979218.4310 2464554.9360 3717533.5690 2747698.6310 171343810.9000 356604931.8000 337784791.6000 179630440.5000 3584553.4340 2682169.0520 5132186.2300 2392824.2640 3937468.0520 5923667.6620 3230461.3740 2366903.9930 374079556.9000 1826736.4900 3247969.9590 8716243.9920 4819725.7400 12821573.4400 172664595.8000 4205522.7110 2705403.9900 9174310.4000 10623515.2000 3892840.9260 2174831.4690 5822824.6280 296720092 2240045.8500 231818339.9000 1996802.6550 6332286.9810 1700537.5420 1385157.4180 1492215.4960 1393537.5300 2982042.9980 88971190.6000 81004836.6600 81391574.2400 78653039.3900 80441278.8900 84566963.0500 86659141.4600