Compounds M.alba_1_1 M.alba_1_2 M.alba_1_3 M.alba_2_1 M.alba_2_2 M.alba_2_3 M.champaca_1 M.champaca_2 M.champaca_3 M.montana_1 M.montana_2 M.montana_3 ginkgolide c 15496.76085 34559.72608 0 0 8948.138971 0 32325657.9 29296700.64 31909163.41 0 0 0 verproside 299636.3115 294644.5 255322.3928 1099948.349 981648.6069 808996.1102 785735.4264 632428.785 609972.3385 18876.75143 63561.62738 60813.34158 methylpyrazine 5882827.475 6125255.404 6207719.959 6069555.969 1910450.017 5897664.057 6111686.443 6390060.886 5950702.889 5864385.229 5930489.627 7251278.314 grayanotoxin i 133921.2303 191779.6386 136324.3489 118934.5104 109981.5972 111955.3711 101221.6802 115956.6562 91204.82756 224100.5617 282466.302 461371.0479 2-methylfuran 1013169.924 962475.7667 1179422.735 1089293.541 945318.4496 2597878.401 2463583.612 2840960.775 1557512.597 2638026.542 2636554.734 2599949.182 eudesmin 14772548.52 14209098.19 14520475.88 14910219.23 15398993.37 15698147.35 45811379.59 44637861.22 47965778.57 7880119.216 8590786.472 8315016.31 4-methylimidazole 1037496.924 2606942.447 1528591.752 485944.0119 1187319.075 1019224.287 2790143.942 4561452.836 910212.2893 2427427.786 2384453.242 2367222.897 1,9b-dihydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one 1336392.236 1737328.45 3811015.3 2308422.455 1694031.705 1644987.851 1274785.549 3096686.906 3306575.559 2244275.889 3028651.511 2152841.835 dodecanedioate 383170.3742 412156.2615 504239.9941 100034.3323 164570.6829 328072.1921 249217.4534 168815.2289 166297.0828 152878.1529 102550.274 236902.8612 succinimide 4554804.044 6173402.431 3604446.226 3805143.091 3229971.418 4340135.873 6466223.522 4217973.032 3718359.402 2224796.396 4234068.197 5592955.152 2-acetylpyrrole 1192109.441 1381033.752 1363208.899 984971.8147 786783.3426 933359.7262 919234.2182 951727.3223 707440.2713 963744.7572 859208.9292 558165.9932 omega-hydroxydodecanoic acid 8073472.294 7433230.983 11640244.92 6941885.801 7655915.097 7404741.28 16188913.15 10377518.18 10517595.89 11573790.69 11032015.72 11328052.1 linolenic acid (omega-3-or-omega-6) 3054532.144 3200639.319 2569727.073 1478570.011 1617058.754 1458409.263 1790839.019 1595403.689 1652980.108 341951.3059 384197.1152 367689.2276 hydroxyphenylethanol + pen 395198.1612 357215.1816 336440.6205 549374.0609 561212.7141 596996.0105 93378.92026 85067.67018 127879.0462 77639.89374 78234.77611 61679.88277 rhodomyrtoxin b 229404.2858 215676.535 68225.1957 161190.3213 127824.3178 17416.9936 77748.99433 22177.57257 0 0 8900.806782 8700.124354 cis-9,10-epoxystearic acid 3838780.646 3960884.977 5591044.369 4453516.052 2696268.031 5179858.508 2463514.625 4484817.248 3992804.759 1258128.484 6122390.784 4135367.739 beta-hydroxymyristic acid 29356594.78 29930592.07 18498194.87 27349903.27 27832858.06 26308719.45 28679906.18 26257951.15 17202805.42 17704313.58 19519028.87 30842002.75 arachidic acid 196871.9485 181151.3102 267942.0499 191137.5419 291495.9578 267571.4595 155683.2582 233288.1511 168224.4037 186426.4237 229285.437 180903.5376 5-hydroxymethyl-2-furancarboxylic acid 4048854.332 3755401.614 2717469.54 3069930.105 2400672.095 2660957.02 4108438.751 3128038.486 4120189.308 4321709.042 3194493.332 3642226.282 3-hydroxy-hexadecanoic acid 5851507.641 4841569.783 5114914.28 4453285.215 4768168.944 4662360.736 4243094.616 4009716.386 4118335.47 4298041.207 4431054.635 4860201.984 3-(alpha,alpha-dimethylallyl)psoralen 197549932.9 210775413.4 193055761.1 111145260.4 110839542 100734101.2 109246639.9 102523510.7 107624623.2 63355881.51 67950333.74 67764070.51 l-valine 14362775.52 15322247.14 47312785.71 17387816.94 17422087.35 14410822.06 50611190.66 14252485.82 4032883.973 10903452.63 9888269.533 12802219.41 3-aminobutanoic acid 783347.8517 679542.0647 877972.142 1057991.773 1713449.72 695334.5829 681197.3302 832298.6856 864285.5934 1068833.064 742087.1422 514647.7129 4-aminobenzoate 1497719.589 1299806.609 1481417.078 19783377.36 22973715.56 6937101.89 9131346.488 8475090.615 6071910.538 102783.1354 0 0 [(2~{r},3~{r},4~{r},5~{r},6~{r})-4-[(2~{s},3~{r},4~{r},5~{r},6~{s})-4,5-dihydroxy-6-methyl-3-[(2~{s},3~{r},4~{s},5~{s},6~{r})-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (~{e})-3-(3,4-dihydroxyphenyl)prop-2-enoate 5040648.016 4890096.787 3340508.283 2561329.506 2611895.914 1730483.443 732970.3826 806384.0868 508503.3262 1595164.138 4128889.447 2332861.486 choline 456433232.1 417814586 379685885.7 256496596.1 258684765.9 313615397 638039031.5 550580837.2 632763600.7 451058962 480018632.1 518359338 (-)-n,alpha-dimethylbenzylamine 388598189.1 353803673.1 337103343.2 105297018.9 200719846.8 627524515.6 49426393.52 45755096.54 58964700.19 582977.1672 665450.2168 584266.9728 gentisaldehyde 5006753.799 5107114.949 4595698.902 5373870.274 4279314.133 4539265.754 4440175.886 4139521.035 2267915.665 2022784.583 1679156.946 3602894.538 dl-phenylalanine 5052175.592 5119783.379 4962163.44 20146964.76 19032920.89 20693249.95 276184405.6 257071897.2 269741049.6 22843549.05 19916447.06 20824888.08 3-hydroxycinnamic acid 16889366.82 15988339.19 12398735.4 6307149.273 5528195.058 1614918.302 439973.2054 355472.5069 305596.6174 2094354.16 2269246.456 2132962.178 phenylethylamine 758246.391 729664.0825 681065.6805 11243994.49 11954259.5 12293080.69 61984711.47 55333887.33 62086500.14 5102971.86 4626172.738 4518408.486 l-glutamic acid 14245771.6 14797093.54 14309162.11 7668698.843 8210282.67 8433980.205 38251403.42 35073178.06 35712705.38 13887969.25 13953864.31 14203888.84 d-(+)-malic acid 5830629.514 13895881.49 6096681.267 6544347.741 6694215.501 8489299.883 9139114.831 12229148.78 7288346.143 12704233.59 8700541.725 9872180.151 l-serine 1296124.652 1226509.444 1189448.732 826336.1923 843811.5408 911444.7148 5245139.91 4733613.424 5246925.206 15859107.33 15843649.45 15228751.32 n,n-dimethylphenylethylamine 39818865.65 36563489.64 31276405.17 13149632.04 20806074.12 78143374.07 9690102.002 8572723.863 10247854.98 170353.6743 280259.9456 218818.4559 2-hydroxypyridine 3861877.385 6200074.542 5911252.034 3155883.958 6278084.042 4646316.47 5225464.802 5183453.394 3538182.252 5670668.046 4372087.952 4348661.023 l-malic acid 11542526.88 35478231.4 39697335.2 16680004.43 7763089.537 6808503.357 9830960.01 17884154.8 8383321.268 10881298.9 11896500.99 22356548.47 3-phosphoglyceric acid 1008989.973 836852.2035 495504.5144 530773.939 403445.3951 504719.9686 951708.4965 631101.1314 694294.4277 3374389.477 2772854.209 2712817.606 tyramine 29441234.74 31172434.58 31191400.81 6913335.621 9714530.77 6980368.831 34612316.21 36559221.39 36174309.74 79696754.62 78525617.7 84352554.11 aspartic acid 14828670.78 15450124.03 14455014.83 2901604.542 3432112.859 3508854.485 64824544.6 60325905.26 60018187.6 30623028.69 29035210.59 30430718.77 trans-cinnamate 97302964.75 95848938.06 98872011.64 142927867.2 148709521.5 128461501.4 46545224.02 43485004.44 45363320.91 3693152.217 3490681.984 3531046.484 6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole 1895644.387 3205075.146 3620314.767 7710718.952 1333063.299 2639770.297 2272115.483 2616513.479 1912021.41 1051592.209 3761852.599 2858717.627 mandelic acid, methyl ester 1981932.339 582896.8148 902456.9592 1315411.126 735457.1356 1005664.659 726218.4395 1306187.942 1268889.363 690079.4473 3882465.523 616558.984 benzofuran 1059956.598 997071.9953 871733.1222 405965.3415 506656.1733 249386.7376 0 0 0 0 0 0 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 58227218.88 57996341.31 49236947.54 23661763.52 23485608.2 16292015.13 4323302.535 3552346.673 2808514.951 0 55426.42648 0 hyperoside 154259624.1 151436460.3 129519634.1 61417935.19 69149854.33 44819408.57 4303721.548 3399703.556 2753434.514 27694597.33 24669228.96 22330161.06 trigonelline 121443473.8 115261518.9 100313484.4 153315449.5 162923779.9 165464650.6 237085168.2 224085791.4 221157347.2 96442234.43 93105515.94 93098807 6-methoxy-7-hydroxycoumarin 0 0 0 0 158303.1641 0 0 135397.3101 62033.77805 24188998.94 24480640.38 24447423.15 chlorogenic acid 567618291.2 556623984.5 431509668.3 341187184.3 337563941.9 266380436.1 195428036.4 180681969.8 134687885 99543845.3 77062359.14 74325458.59 succinic acid 14845569.73 14429883.58 12769631.36 25450723.05 24386764.6 24170262.05 73400628.58 67427028.69 75337010.43 90638222.18 88714988.57 89773977.7 glucose 6-phosphate 13356683.56 13510184.82 11922573.31 12562884.66 12672122.1 15406845.82 15939832.91 13597927.17 13774283.59 26979306.19 27376154.4 27527970.59 apiosylskimmin 11629499.62 11585553.35 10159582.14 7069467.228 7390288.071 5102859.236 1182047.189 1096753.66 1058033.526 0 0 0 indole-3-acetaldehyde 6879920.736 6740851.653 3764238.305 14585603.94 12387127.39 7602289.357 13781338.43 11813086.46 10977482.52 7815878.048 7580412.176 7997008.463 quercetin 3-o-neohesperidoside 262039.4278 199591.2629 246046.3501 68702.80425 57095.07124 105321.6169 11346.65322 32402.97838 45172.42037 87577.24882 106414.5218 86858.61361 poncirin 4962310.531 4308862.27 2922162.31 7187433.451 6008733.151 2266463.397 170042.6463 209091.6589 63490.53574 594739.1569 457688.0341 482049.8044 n-methyltyramine 31507488.88 31017745.62 30402678.64 11501689.71 13091190.55 11153894.4 630361.0621 766527.3102 679440.6441 786396.5785 934609.2202 903452.9367 (e)-coniferin 17782191.59 17660063.94 16790162.36 36372907.64 38192921 31132683.48 11868074.5 10753972.39 11585089.49 11361038.78 11453520.5 11820088.5 l-proline; ce30; onibwkktopovia-bypyzucnsa-n 22235012.02 11234809.43 12501470.17 4580670.351 3538171.165 4839962.907 11545836.14 11738741.03 11351969.96 9648046.63 9560471.672 9090477.455 peonidin 3-o-glucoside 11160456.7 10952741.57 9925738.932 956006.1424 1674691.995 1305931.689 368298.7548 198513.5198 397672.5257 0 0 0 isoacteoside 641783775.5 630645350.3 532205923.2 591910767.7 639374834.7 422234397.4 33292398.71 32262029.16 19703379.63 10558934.29 7455501.821 5647271.475 2,3-butanediol 571378.2942 5396487.61 4809358.699 1307663.635 3583924.082 3752481.507 20389646.4 6308279.481 4113737.086 1411420.102 1382499.702 937438.8523 3-hydroxycapric acid 14290776.58 14906014.85 15372484.15 13758062.37 15037151.56 13197784.69 13795696.74 13797621 13235472.58 9634609.465 9766712.578 16646870.84 l-threonine 703189.2711 454241.8679 657876.8122 159591.0711 305141.7236 272092.9942 2468743.018 2408877.485 2429330.203 8186835.234 7637494.617 7491850.461 l-phenylalanine 660942.0192 882034.8994 642589.6587 797226.9601 914640.8023 575970.268 657209.3769 671886.3822 987558.0603 679974.478 697702.7914 695440.7471 4-hydroxybenzoic acid 5717397.096 4336844.677 5756552.685 6015808.793 6144565.107 3435545.123 4335774.4 4559489.008 5234708.496 6929105.462 4164006.61 4570978.083 3,4-dihydroxybenzaldehyde 1968571.407 2093873.737 2502779.013 2195383.99 3864792.272 2970944.665 2321992.763 3523078.503 1977451.097 1620982.062 3413870.155 1298265.259 isocrotonic acid 2885696.38 2675427.569 2656909.566 2642117.375 2576177.361 2564432.983 2806672.947 2734236.963 2541063.297 2782167.012 2583985.574 3262219.695 nicotinate 7184024.35 6796094.585 8051251.677 9553318.281 7838993.759 7905096.015 6787779.182 7474177.18 6551740.35 6757965.127 7752403.828 6898290.152 kaempferol-3-glucoside-3''-rhamnoside 23421627 23110156.09 20492095.14 12575838.32 12246841.06 10681020.82 1130598.662 582425.3896 924571.44 6381293.496 6485819.437 6403632.932 5,6,2'-trimethoxyflavone 4947640.563 3837029.618 3907221.742 3668281.492 4251118.905 3298963.001 1120738.848 1111454.176 1093893.151 144495.3847 474089.7494 56348.09452 remerine 1352889.084 1912428.433 1911540.771 41859113.26 40966319.65 33657661.75 8478.722366 11834.70825 32197.02185 46055.32215 118054.6152 44554.26898 adenosine 439320.1839 579432.3004 1124522.832 415214.5528 588823.5118 1659535.582 1777332.395 1605385.056 757784.275 1305700.646 1227540.249 1156308.401 candidone 115567.4098 159041.4284 37303.88471 2377507.265 2151634.65 2342431.414 10402767.22 9334386.29 10255269.18 15515167.32 14553897.21 14796731.71 phenylacetaldehyde 70813897.15 76978665.48 68564440.91 16307787.87 23799375.49 16281190.6 85009824.62 92857629.13 90299345.04 178107668 179109561.8 193947154.7 benzoic acid 8218570.884 8221715.087 10934994.81 6180129.546 7480057.286 8371342.279 6875392.527 6420063.695 5398245.958 6102659.696 10991143.81 5910225.305 isorhamnetin-3-glucoside-4'-glucoside 44636707.3 40005125.87 30065816.12 21283587.3 25978819.55 17199799.35 795890.2318 504077.8007 718596.3633 13487921.91 12814703.49 12540399.22 isoquercitrin 120309725.5 119922150.2 103214957.1 48078561.88 53503995.37 37851749.91 3596188.017 3127904.826 2471925.794 28926571.88 26465040.32 23580857.97 adenine 1190467.968 1360243.289 1883810.476 1808226.592 2239932.408 4431214.866 47049390.84 43547758.98 54498025.49 915349.2674 990868.677 898581.8666 l-arginine 4511179.806 4790143.089 4795599.046 0 0 0 1351321.534 1508804.122 1228069.761 553785.8769 512287.7993 423093.9034 avocadyne acetate 1434146.169 1325630.627 2395596.183 1885699.743 2052582.879 3180844.231 44788151.69 15816574.95 16411221.59 2158454.338 2346170.616 3371053.878 caffeic acid 11333994.55 7945846.556 7450549.391 6189772.074 7933779.109 4828823.431 0 229787.5611 0 339739.5736 279062.3146 266580.7467 d-mannitol 10059809.29 11212117.08 10093033.74 5837012.258 4836879.246 5671030.461 7825595.363 7192030.489 7795322.675 6095283.856 6397399.202 6523383.641 caffeic acid hexoside 1031816.322 986371.7045 1092581.357 1018599.963 1149064.223 1276017.904 614257.2135 587586.9828 661447.5238 19845519.9 18733231.26 19634562.94 d-aspartic acid 22776664.94 21309527.62 19966826.54 6114269.008 82155.24488 7149316.534 77639345.42 70216266.53 73091325.89 48618100.43 47050403.14 46347676.86 azelaic acid 616040.2112 649653.4453 762752.6284 2415603.823 2722179.539 2345508.055 780215.1398 800626.1813 790242.8141 563399.9538 638006.1516 594596.6693 heliamine 5460299.189 5004041.675 5784906.039 1819286.084 2210373.64 3322270.557 1836830.05 2168833.167 3085612.164 2584266.017 2352205.442 1906398.232 2'-hydroxy-5'-methylacetophenone 2308551.775 2659956.108 3179754.168 2285012.347 2705488.95 4408400.512 2641700.761 2354640.586 2617564.087 1666474.527 936971.4699 938300.4357 anofinic acid 1585067.748 1587463.213 1814011.488 1745170.449 1901465.874 1736058.271 1584048.701 1970791.755 1641554.831 1719100.473 1778672.688 1792051.574 kojic acid 22643225.84 17718696.17 14633486.73 2704934.435 15553369.88 2864963.826 20507319.91 13979395.73 4988178.786 1805667.842 13619173.33 17334366.07 [(2~{r},3~{r},4~{s},5~{r},6~{r})-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2~{r},3~{r},4~{r},5~{r},6~{s})-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (~{e})-3-(3,4-dihydroxyphenyl)prop-2-enoate 5137062.714 5062754.298 5390028.473 4932953.561 8843088.508 3606156.926 848777.7931 896059.3882 965662.8767 287634.1501 497953.4762 184441.8174 dl-3,4-dihydroxyphenyl glycol 7799929.521 7321330.896 5577775.063 2501236.06 2370753.25 502189.2577 724299.1555 724824.6791 717355.4644 7305781.098 8223887.98 2050379.281 l-asparagine 17322040.8 15960782.35 18146002.22 1419780.705 2828227.191 1816401.72 121201007.2 121734750.2 129388326.6 149436336 148544217.4 148461200.1 indoxyl-sulfate [m+h-so3]+; aif; ce10; corrdec 359660.2584 300470.3138 246866.8602 2078732.547 1999378.18 1100569.016 9375333.163 8267201.196 7156596.217 82493.96263 117472.0115 114266.0222 coumaroyl quinic acid (isomer of 758, 760) 102016052.1 97364427.45 85897583.91 308318439.7 159194444 280015993.7 182354611.1 178201056.5 191325020.8 4254914.697 4141040.67 4442546.946 pipecolic acid 78888844.42 82834290.14 50751507.47 1736231.114 1256552.191 1686427.265 6896341.572 7316401.57 7490176.998 14629370.42 15612685.64 13692180.17 flavin adenine dinucleotide 895279.4611 912663.0608 790204.5055 677029.9339 663557.0328 584886.7968 1536324.603 1406086.463 1666768.46 1725995.536 1471768.876 1544856.149 uridine 5'-diphosphogalactose 12214331.64 13317570.04 13354707.2 10461929.64 9226905.096 8464294.485 22156267.07 19142957.37 23843735.34 5355352.206 5312246.627 5771316.155 aurapten 9262881.04 3372342.638 5751879.328 3877305.353 4664616.93 4690905.856 2679426.87 4259247.694 5483758.802 3583345.781 5076497.144 3622026.711 coumaric acid (isomer of 189, 194) 2643695.403 2684473.073 2537353.914 3278510.776 4127600.15 3141045.646 1055748.95 998052.375 1038336.877 196152.1216 126020.9308 108761.0168 mgmg 18:3 4252968.689 4041358.54 3070305.22 1405051.919 1179931.249 806488.8648 5406418.551 3517605.765 3676391.521 340363.9112 548345.9354 581219.3014 4-hydroxymandelonitrile 51503577.86 53080461.79 48537921 20627334.02 41475359.41 13966978.61 34786065.36 35882829.91 38027181.95 5035762.458 11825135.76 7521473.6 7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 1457171.528 1410968.019 1270150.974 651193.8052 680187.5067 561125.1161 1828114.229 1756225.216 1711127.531 0 0 0 caffeoyl quinic acid (isomer of 831, 832, 833) 1004260.95 1040558.652 929885.5124 985686.2684 895968.127 745929.2946 1083657.886 659175.3723 545838.3033 296263.6248 276042.047 259770.282 chrysoeriol 7-o-(6''-malonyl-glucoside) 6343441.04 6591381.203 5887906.038 2794737.167 2771537.096 2581650.325 580729.173 571418.5673 553526.5691 0 0 0 pyroglutamic acid 1641312.463 2097147.912 2274290.116 1808549.452 1921538.701 1705050.462 609658.8456 1813140.259 1747683.064 1491323.014 1883880.942 1784987.158 gluconic acid 20246007.43 20698620.55 18577355.04 16967278.84 17467569.08 20661756.27 20959740.91 19431714.79 20870589.42 22647965.45 21385493.53 22875875.04 jasmonic acid 217564.5431 206615.7979 218010.3458 263786.5593 199099.1571 840453.4113 1841156.233 1675789.975 2225799.847 166066.6408 141534.4507 93598.02004 glutamine 487729.9853 101869.2583 470353.439 344611.2412 394129.7975 365636.668 211536.7683 553277.9193 277671.2682 279858.7315 2116106.764 277811.0339 orientin 340032.9599 299286.0332 306033.8362 72288.46255 141225.3313 100239.7161 0 0 0 0 0 0 hordenine 37604259.44 34391447.46 31164975.7 15967808.01 18725004.85 26248467.97 3591776.774 3074018.627 3842963.027 864445.6118 968789.8952 928635.8641 kaempferol 7-neohesperidoside 21522208.33 23132391.87 19489655.19 12402326.74 12059959.47 10187028.57 1801892.69 724369.849 658398.4602 4873176.761 4259663.849 4454865.913 quinic acid 137347026.7 135148050.1 109400949.6 82691985.73 85831355.63 65872247.01 46284647.29 43769142.06 31889501.65 24394783.07 19940585.12 18885877.35 anthranilic acid 1484771.782 1556450.009 1567735.727 1590582.387 894016.0123 989716.3265 2231315.269 1699258.948 1575104.987 1491039.57 1673117.048 1492826.581 isorhamnetin-3-o-glucoside 21044335.87 20309681.23 18601800.9 12280399.23 13591795.51 9422430.792 1749169.51 1588341.748 1514508.89 709232.8037 796180.2453 803305.3823 (3~{a}~{s},6~{r},6~{a}~{r},8~{s},9~{a}~{r},9~{b}~{s})-6-hydroxy-6-methyl-3,9-dimethylidene-8-[(2~{r},3~{r},4~{s},5~{s},6~{r})-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3~{a},4,5,6~{a},7,8,9~{a},9~{b}-octahydroazuleno[4,5-b]furan-2-one 394773.1432 176769.0595 231947.5017 1473111.456 1482655.445 1715816.105 21804367.28 14109812.22 23073979.68 43076.79064 23325.67326 0 astragalin 15160536.13 14976912.13 14366117.89 8257753.892 9981825.095 8112475.909 3022404.505 3230332.22 2774119.808 1349736.963 1423753.96 1196520.995 n-methylisoleucine 1033610.059 1086923.598 981097.5529 1358395.108 1406203.288 1385028.433 433401.1481 473093.7648 412253.7692 363996.0015 425550.6421 380591.1614 galactose 6286305.075 6249246.175 4657402.213 3023459.564 3025653.103 12062652.2 677173.9311 828075.5309 673824.3283 1706941.689 1919357.266 1683625.946 cellotetraose 56476025.47 40116452.27 46451886.93 12175848.63 11344329.57 7022379.898 1650908.121 1080733.072 1237995.027 153638.6118 80225.8748 117088.9898 betaine 14332106.87 14212331.72 13817717.92 14011382.24 16070633.95 13773572.12 34588596.68 46994586.21 23882154.37 12668534.99 8384867.031 12653084.48 butyramide 7601217.978 10339036.34 5476641.636 2196106.036 5287355.265 2355549.618 1475766.967 2011666.32 2409636.661 1655194.493 1843031.129 1625644.707 hydrocinnamic acid 356451.8166 121837.6238 339172.6515 120948.3009 181159.0803 224936.5259 441822.7115 478450.0241 120545.8177 2736159.463 2707496.017 2713994.857 isosafrole 59559284.52 55601028.68 49609190.81 65363104.74 59997468.29 63239954.45 61787288.1 44626426.06 62010053.24 3475974.695 3053281.426 2813353.784 quercetin-3-o-glucose-6''-acetate 3562538.862 4119934.14 3119241.597 1971515.379 1985333.473 1323293.784 37181.97093 55121.08691 12159.79842 484576.502 440257.2199 356419.7358 acetoacetic acid 3035332.684 3939720.316 3401153.952 11953723.67 12301907.24 12021542.79 575110.016 1386864.957 978007.296 2151442.068 2295654.636 3251988.037 7-methylquercetin-3-galactoside-6''-rhamnoside-3'''-rhamnoside 18380081.67 17428393.34 14654342.34 10308936.07 10644138.51 7936592.185 13824.29142 16410.35991 26683.35384 0 0 0 sucrose 466863746 446907595.6 386891027.9 472045466.6 521057764.1 423603329.4 763620978.6 675449493 686973609 439709859.7 422162559.7 461170464.6 (2s,3r,4r,5r,6s)-2-[(2r,3r,4s,5r,6r)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol 26927656.85 26762140.6 22629463.41 11506252.01 12614062.5 9118933.054 2695934.247 2520956.699 2001694.324 2477887.567 4334470.096 2992495.656 vanillic acid 824066.474 2910095.909 792689.0362 800723.9857 1016410.257 1145944.85 1027103.349 1804618.402 901985.2962 1595630.622 1016475.467 850879.2451 (+)-costunolide 1620151.621 1749737.662 1344042.697 853347.1306 240277.4868 768843.2763 6179192.683 5727332.662 5707871.919 754137.6006 598157.3811 666381.0517 angoroside a 2190127.087 2094755.782 2297419.88 1822575.036 1947508.625 1412564.494 257485.59 267813.9464 365151.3288 216367.6881 278979.4373 163237.3873 cyanidin-3-o-rutinoside chloride 13773161.97 13130811.09 11297855.85 10175619.28 10783629.41 7462833.799 267640.5985 0 444786.0496 0 0 0 brunfelsamidine 1602502.123 20986900.74 11471878.61 689276.4937 3425073.125 2863757.224 13053045.54 8687049.975 3196507.78 3262636.026 3677661.701 1779562.28 3-o-feruloylquinic acid 13536621.5 14057967.32 11894466.93 11604088.16 11654325.88 8098764.857 3859816.955 3398788.553 3600781.9 904438.6303 740866.0392 961095.0659 7-hydroxy-2-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one 2086432.409 2167652.679 1898164.192 872641.6962 1075270.015 708821.0063 0 0 0 0 0 29872.2025 (3beta,20beta)-29-hydroxy-11,29-dioxoolean-12-en-3-yl 2-o-beta-d-glucopyranuronosyl-alpha-d-glucopyranosiduronic acid 0 0 0 69243.57815 14215.59952 23918.31605 0 0 0 213657.6116 241564.8137 249782.303 isoboldine 630530.3036 5967373.784 744380.7392 4763078.138 1309233.61 760291.4011 747262.4766 7055522.129 900852.8925 56294448.93 26046604.69 101879883.6 [(2~{r},3~{r},4~{r},5~{r},6~{r})-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2~{r},3~{r},4~{r},5~{r},6~{s})-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2~{r},3~{r},4~{r},5~{r},6~{s})-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (~{e})-3-(3,4-dihydroxyphenyl)prop-2-enoate 54507713.95 53479470.45 48367611.74 22867613.17 23569279.85 20288292.19 2934716.834 4097514.33 2326079.105 208845040.9 159214313.6 151469781.2 myo-inositol 70646462.64 74158954.16 69384840.26 188665983 185814286.7 187555724.7 129825026.7 126227645.9 129033447.9 89510788.36 94257694.42 91028145.57 trans-ferulic acid 3985172.361 3611295.585 3484318.767 7811822.387 7784789.486 7370421.835 5578563.934 5441615.645 5546504.698 1124283.66 1097565.647 1047528.198 2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one 930662.8485 956565.7707 992448.4275 477135.5885 490894.2044 361992.3923 95327.61887 73034.54394 48398.51268 0 0 0 trans-cinnamaldehyde 1594547.749 1795244.144 1489245.421 1919158.251 1749686.345 1462129.998 372871.198 332724.5696 356252.6365 532035.5155 617684.4405 557281.8676 d-(+)-mannose 3519679.942 3504669.012 2885423.843 2597782.893 2448906.624 3182589.785 3898319.752 3478117.332 3485038.01 1437904.975 2063853.696 1515680.141 coumaroyl hexoside (isomer of 690, 691) 73576.33061 6397383.055 6521285.037 92237336 100534964.2 87380487.23 8029599.443 7268861.302 7568874.183 1062503.033 939703.3185 968358.8165 quercetin 3-o-rhamnoside 7-o-glucoside 184288.6781 88751.05276 201381.0985 90528.95223 92798.11074 109064.0452 31964.86976 53798.20929 37993.32121 68224.30725 62086.29705 77626.92978 alanine 1217584.244 959157.1952 1031378.119 985147.6884 1125373.714 1454265.562 3409064.539 3068145.25 2668284.389 9768171.069 10087911.49 10350845.35 2-oxobutyric acid 116755.6327 207899.9352 86247.85549 119733.5328 240213.1454 113068.9461 207425.2671 236781.5833 127300.181 107646.553 88995.62636 97101.17744 gastrodin 703742.3452 649287.1834 549137.9412 281750.4199 443010.6884 168404.4544 23361.68549 0 0 432890.1035 305226.6266 309147.0185 mangiferin 48999793.8 45459825.36 39906684.62 23013550.15 26050636.87 22419112.71 2368789.538 2054481.616 2221336.854 930450.7 1070363.924 1265706.44 3-hydroxytyramine 2425047.236 2562827.458 2360785.077 11691276.38 12395862.74 11990504.75 11198156.87 9792582.621 9969618.216 1256093.751 1125701.213 1202535.975 l-tryptophan 7376225.231 7184288.449 8104947.31 23792911.9 25466613.54 26074797.68 50985497.68 48830228.05 50143418.49 47879053.32 44282147.66 46375741.64 d-fructose 2821083.375 2449042.319 2846433.1 4406509.488 4354627.994 4173596.024 2032167.903 2024139.799 2106714.165 1184107.63 1386450.401 1082280.596 xanthohumol 332802.258 84651.29156 228125.2985 123632.5801 20231.4759 104668.5549 121714.4524 58915.90845 376224.2141 502361.4097 585919.0027 600092.0725 ()-2-methylbutyric acid 1758005.063 1735312.232 1553380.363 1946584.781 1855577.172 1860704.88 698395.9271 726994.9516 665461.3903 88555.34194 169117.9549 148797.3016 (e)-3-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid 1502190.575 1457796.795 1565775.836 1645796.872 1794479.726 1554471.129 3763398.192 3454179.824 3928461.436 1958006.936 1901881.603 2024385.753 (+)-abscisic acid 1434080.801 1240783.466 1268164.078 1691449.968 1811119.126 1668696.962 29294049.41 25641989.89 29860889.57 110798.2397 158044.9767 95957.94398 beta-alanine 1057703.806 1022186.054 2195745.836 1744157.042 1635553.822 2079890.515 10070313.65 10095673.03 10198247.83 21230231.26 23046934.84 22343176.4 forsythiaside 82638235.56 81093781.3 90846481.25 69135255.02 85484482.37 74217285.53 9991630.472 10629644.02 6593728.581 8139170.811 6349179.03 5082379.145 isatin 2640143.949 2451204.222 2187159.319 1374737.312 1342324.678 1342981.21 472432.6017 412026.8272 420503.2228 357111.1393 395183.9141 318937.2923 saccharate 36710071.54 34526371.1 25748233.22 16530233.57 21161787.08 36833471.07 25990970.3 23403370.87 24143871.03 161006674 138901241.5 132134917.5 uridine 5'-diphosphate 4133652.268 4722616.915 5235872.173 4181630.15 3715400.472 3389679.829 7431352.373 6724729.35 8597717.424 2290591.635 2182787.796 2245536.217 3-methyl-2-cyclopenten-1-one 2206452.499 2492650.98 3649636.029 2835721.869 2644319.325 3881163.946 3876667.797 2339531.821 4312246.12 2016813.202 2712705.644 3157431.281 citramalic acid 6992838.639 6798871.59 6387412.343 7281203.201 6776294.8 6419014.695 8878099.536 8716201.111 8199211.275 3732758.265 3162784.174 3004985.218 4-acetamidobutanoic acid 407971.9045 470168.904 399017.0919 568426.2636 469123.0109 670015.1273 367125.4349 476529.8613 411729.5493 359492.705 565410.8354 534972.0097 ethylbutanoate 46001476.86 45150554.51 39775497.35 41942965.31 39526880.37 35911971.27 6829193.656 6393286.657 6733577.113 13789953.75 13131460.98 13684998.81 16,17-dimethoxytricyclo[12.3.1.1^{2,6}]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol 856451.3137 627199.5174 389200.3033 90247.75959 637196.316 691898.7233 1727148.956 1486221.533 1652679.861 5997007.416 5210331.22 5468891.97 s-adenosyl-l-homocysteine 189439.6483 169562.8927 198085.8094 632147.8286 703124.47 551609.379 787674.9483 721188.5498 739174.0017 77731.89014 48310.58994 65074.62282 coniferin 1164388.517 1158872.369 966988.2846 1102803.824 1034025.983 938362.0228 554670.151 503261.1728 478868.6288 23646.1391 0 34669.49273 3-pyridinaldehyde 16207632.37 19683003.36 21216995.8 4405337.169 24505499.8 21079299.56 18606244.57 7715715.842 22167892.2 3557339.505 19615015.32 18032906.7 dehydrorotenone 14909076.34 14189375.05 4029509.697 13212025.68 10629881.67 2781801.123 0 0 0 6997331.349 4337707.418 3702888.085 picrasin g 262232.9472 270035.1845 220599.9739 298695.0511 255849.9195 263678.6397 1753219.049 1324641.676 1717416.163 10446929.48 8311460 8889235.732 tyrosine 5257066.75 5343762.426 5146480.14 1072396.989 1285374.814 1492001.52 3627193.974 3445306.28 3366759.149 6509330.487 6186231.668 6690410.541 3-hydroxybenzoic acid 748342.7482 696501.0146 502264.2461 2110255.875 2037118.995 1801846.292 1781615.112 1612945.596 1540933.292 247666.9626 123799.9834 124339.886 udp-xylose 657583.8116 716922.7233 832798.4756 557381.2829 412422.6674 419729.137 1211587.478 1137726.721 1235907.966 681745.8704 574044.3373 684789.3761 (2~{s},3~{r},4~{r},5~{r},6~{r})-2-methyl-6-[[(2~{r},3~{s},4~{s},5~{r},6~{r})-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol 6597116.362 6656568.193 6245593.459 16934815.68 19705038.58 26334097.13 94725477.29 84906139.9 93021481.76 22279719.7 19618198.21 19608908.3 n-methylcoclaurine 5358860.387 17156192 1838687.586 4863905.22 3267680.674 1063456.168 1395595.423 15566989.82 2353400.226 24215717.88 93495564.12 95015729.29 petunidin-3-o-beta-glucopyranoside 7131830.987 8053956.248 7168387.043 3650827.257 4808711.591 2265270.636 849438.5746 913494.904 829594.4733 0 4298.47259 0 p-anisic acid 1976830.008 1978763.036 2373526.523 2054293.16 2228061.723 2387567.76 1741733.215 2089646.309 2017554.485 1933948.465 2357303.893 2209511.734 b-amino-isobutyric acid 776475.0876 786742.6704 1510891.027 1138711.227 699081.8217 1247427.54 968951.8539 1954698.075 883853.8734 1111733.441 1331692.64 1199111.488 guanine 983178.5339 1340966.407 593419.4613 440041.6972 545097.1426 1260244.334 6744213.564 6445152.872 6384017.87 1269931.493 1215980.306 1274213.743 sinapyl alcohol 55218107.49 54039738.8 59268821.33 40521483.72 42595027.25 34643805.27 5769084.126 5189888.419 5740306.321 9403026.271 8963719.427 9403392.987 3,3',4',5-tetrahydroxy-7-methoxyflavone 8596595.156 7918358.579 7507592.362 6468396.372 6778821.845 4969775.357 2070201.613 1705995.07 610894.6363 0 0 0 glycerol 2773393.869 2135452.432 2010959.922 1554810.239 1549386.614 1038931.387 2295193.087 1964377.153 1497991.628 1750086.998 5713697.631 1904462.647 [(2~{r},3~{s},4~{r},5~{r},6~{r})-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (~{e})-3-(3,4-dihydroxyphenyl)prop-2-enoate 47103475.96 45882074.55 44822064.38 31404951.36 37138639.87 26765282.16 1854794.369 1828905.502 1004492.38 2821664.214 1998218.219 1599592.271 5-aminolevulinic acid 392025.3693 526043.4384 1082455.09 567001.9902 860788.2693 583007.1352 576540.4869 609931.8015 455835.9959 1633305.544 890697.3418 634810.536 aucubin 9177252.134 9056381.547 6505373.842 2986117.353 2756066.536 1846950.564 934044.8652 925293.0115 768436.8859 1315789.873 1556771.829 8576874.272 atherosperminine 200231.8146 161447.9828 154957.5526 72916.54912 100943.9146 105631.4443 38835.66263 22171.07401 19298.72263 25019337.69 25827247.02 25376005.15 (2s,3r,4s,5s,6r)-2-[[(1s,4ar,7as)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2522658.54 2572677.986 2187761.583 5772823.194 5793096.824 5817164.078 56792593.3 48789791.63 54860935.28 2518440.602 517689.2259 500699.4639 protoanemonin 16970260.44 16515757.79 14225148.68 32130048.97 23135412 21732125.08 41865806.02 40645312.51 37054252.43 18437993.8 20718983.95 20065537.55 tanshinone iia 4621471.544 4570854.196 6047474.2 3972757.971 4766200.133 4035752.318 1113679.38 480978.1946 1106721.04 0 0 0 d-(+)-galactosamine 4111906.605 4296188.879 3028333.973 14564562.28 15616627.35 15364827.07 6150434.062 1860913.099 3678892.221 11783819.04 14648530.56 11621255.55 marmesin galactoside 0 0 0 8385.885922 22016.38305 29716.22995 2287917.583 1466186.922 2541515.651 0 0 0 [(2~{s},3~{r},4~{r},5~{s},6~{s})-2-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-5-hydroxy-6-methyl-4-[(2~{s},3~{r},4~{s},5~{s},6~{r})-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] acetate 294351.8074 370899.8733 69153.49492 194565.0451 272491.0115 91463.71108 0 0 0 0 12242.20531 21010.54183 n-acetyltryptophan 3919387.515 4007971.995 3722825.353 1309426.289 1599870.72 1297412.776 223917.9477 214292.3201 193680.833 389046.7014 392331.2699 427993.0359 2-pyrrolidineacetic acid 18841923.39 28283884.9 18103150.29 7000871.703 6682309.595 8694347.175 9349483.438 7977737.354 8199872.972 6961184.63 8244334.765 6373468.718 salidroside 692877.7269 680128.7236 627304.703 1371333.133 1459200.383 1267157.513 127860.7307 83878.1206 121014.7806 560310.2613 512500.4119 533255.7009 echinacoside 2076315.164 1979999.111 1481209.913 1287032.407 1289744.537 879370.6888 417915.8266 324531.5357 302518.8928 1027967.171 680471.3469 467949.819 (-)-perillyl alcohol 1186373.869 1077777.117 1229746.811 1659654.659 1690267.615 2901204.818 14938103.6 13354254.8 15132089.33 466081.0486 295122.3811 441673.8614 methyl nicotinic acid 1357193.402 1379069.657 1272198.799 41951679.17 35778577.88 27474305.06 3764367.137 3044667.338 3264063.954 460655.9474 589755.8359 579344.5841 dihydrokaempferol 2157370.097 2474371.694 1960999.397 2904570.418 2920444.579 3051444.833 168100.999 109428.5118 125975.5538 27565.75092 20104.28619 23843.40187 isocitrate 4698218.425 3996805.971 2139159.481 2617317.093 6959393.796 6936981.12 8514957.756 7893002.43 8002205.301 8884488.945 9450768.9 9065961.033 dgmg 18:3 1570813.804 1527273.854 1336497.593 629259.0485 628077.1166 492524.586 2524790.82 1578569.727 1613546.274 127835.8701 246466.3417 236684.8609 reynosin 889581.0592 654269.8704 927458.9833 1198539.202 1479199.147 2529445.622 2196826.29 1918039.499 2434824.795 1398765.146 1068123.339 1135529.205 4-hydroxy-3-methoxybenzaldehyde 417743.669 1294843.738 454393.5799 345686.7207 207956.6165 341365.6768 1311163.857 1203014.913 1106563.363 2416444.175 2574137.722 2711210.493 1,4-dihydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1h-benzo[e][2]benzofuran-3-one 119287.7312 33581.87748 51453.20728 86744.1314 204688.1487 153894.5927 2785511.284 2628047.812 2718738.174 1677929.105 1897747.633 2037122.075 benzoic acid + 2o, o-hex 1023564.591 846106.3398 554544.8014 225990.4406 336665.0226 381182.0315 43990.15875 28902.83136 28447.32138 693444.3017 641481.199 616304.2011 safrole 49667032.81 50089924.01 50767738.29 50060027.73 52286796.47 49486856.21 50882095.77 50451728.18 49861792.31 51936030.23 51646703.46 51020118.93 linamarin 1024899.157 858195.5089 966993.4544 1037975.915 1057311.431 1183689.684 1538399.371 1358521.662 1662765.374 322047.4046 446957.2899 214342.9689 sorbaldehyde 1930447.944 1755135.204 1701180.05 522679.7203 878178.8051 1001307.023 1758307.196 1965652.337 1814254.164 1614030.28 1874809.764 1794189.536 [(2s,3r,4r,5s,6s)-2-[[(1as,1bs,2s,5ar,6s,6as)-1a-(hydroxymethyl)-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bh-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate 3664423.3 2947677.591 1428240.073 1729969.57 1343990.77 714474.2472 394534.9549 321199.8897 288496.5154 681335.755 589766.0691 538439.4929 5,7-dihydroxy-6-methoxy-2-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one 1587701.962 1560190.085 1468481.422 821921.7268 827520.0136 836823.7242 862314.9044 774480.0115 838155.2925 151916.7161 0 0 [(2~{r},3~{r},4~{r},5~{r},6~{r})-2-[[(2~{r},3~{r},4~{r})-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2~{s},3~{r},4~{r},5~{r},6~{s})-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (~{e})-3-(3,4-dihydroxyphenyl)prop-2-enoate 2317757.932 42776.48395 1847287.738 34190.87173 31977.29572 2507287.062 277658.2518 125398.6499 1228997.745 173402.6113 1922079.199 124051.1652 (4as)-6,7-dihydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one 21933160.62 20873890.87 18509607.41 13424325.71 13212011.07 15996863.02 3477341.219 2906040.533 3608328.285 7080469.251 974356.2164 6272728.373 (1r,3r,4s,5s)-4-{[(2e)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,3,5-trihydroxycyclohexanecarboxylic acid 86012825.31 94279011.61 78870069.36 45449397.49 44705756.44 28366703.51 34091117.87 33279498.25 22618422.19 9419019.874 16494415.67 15821076.95 [6-[(5,7-dihydroxy-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]-4,5-dihydroxy-3-[(~{e})-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (~{e})-3-(4-hydroxyphenyl)prop-2-enoate 3575961.509 2859927.759 847895.3107 186132.3014 237979.9389 164977.8294 193185.3624 86080.90449 345983.1341 15853.14449 25575.71648 5573.59284 n-nornuciferine 6287437.613 5562845.575 5764416.427 5057647.096 12010332.96 13903937.09 297647.9885 188741.0693 250608.9919 1641941.031 1804056.203 1655060.914 1-aminocyclohexanecarboxylic acid 4711579.789 10101573.59 9710946.642 8515837.798 8752898.042 9025301.061 8997404.902 8366551.587 6652207.104 2807900.361 2814282.97 2735079.957 5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one 5202120.448 5073070.517 4337907.166 4091502.974 4483521.003 3143764.332 10866.16152 10031.71587 6715.792802 0 0 0 1,2-benzoquinone 2186096.796 1363894.06 2405438.742 2068584.068 2186758.635 2188509.556 1826113.551 2382688.279 1783269.11 1757471.583 2170334.282 1678834.191 pyrrole-2-carboxylic acid; lc-tdda; ce10 8355768.176 2206142.036 1691239.287 2176282.972 2108625.549 2677240.636 1736783.513 1419984.945 1666382.625 1643466.519 1944545.429 1562576.115 prim-o-glucosylcimifugin 498353.1491 478891.2394 587235.4444 217103.6524 262472.3257 221610.1111 500939.8671 574176.7301 832450.88 161198.726 267321.6339 236862.1475 (-)-annonaine 185243788 177828214.2 192291561.1 74297806.29 75253715.7 84938464.42 21243568.84 17736473.43 21908291.71 9402569.859 10105695.77 8992918.097 l-pyroglutamic acid 0 0 157310.9954 3809362.315 4111249.074 3742786.736 694844.6861 7872518.294 3356497.658 3768414.531 4365332.441 3926636.101 hippuric acid; ce0; qiafmbkcnzacka-uhfffaoysa-n 8502600.252 8812649.193 9404097.228 12546798.32 10120410.51 12849264.57 8509325.759 8352918.787 9747123.929 5566063.03 6084212.902 6494827.232 disinomenine 9315.613074 51851.64892 4441.966705 11106.55315 19422.16118 2427.456864 111871.0613 141070.0087 111110.8591 776783.9917 519419.1464 367403.1341 guanosine 665490.3561 767421.7728 982196.7992 781960.2573 969683.0826 1681396.593 9420871.984 8339287.787 8952274.385 2083177.357 1847154.686 1936079.613 l-isoleucine 386341.5162 467804.8027 261323.9386 1318220.604 1684405.163 3165257.273 437241.6945 434873.3065 359198.8351 529305.5822 438768.2246 298318.2816 4-propylphenol 606625.632 804263.7646 551493.9644 549650.295 653041.8257 622899.1695 2904445.382 3346865.318 3005424.356 2027561.564 1939814.43 1791681.894 2-hydroxy-2,4-pentadienoate 430400.4395 505339.1286 469926.655 414481.3499 403735.9191 495714.2594 2358273.081 2200622.722 2385738.173 295245.5812 344584.394 375171.9018 biochanin a; plasma id-508 596485.7888 606097.3516 537116.3705 835040.8931 484846.2298 394188.6688 1257131.287 1172827.402 830139.6086 266982.7719 67243.46583 0 methyl cinnamate 214773629.4 214777931.9 199427405.7 303100116.6 297698529.8 268640778.9 99912369.85 92828041.33 96150071.95 7722002.721 7650187.381 7380578.713 skimmin 1475388.204 1563925.993 13952738.83 6800578.4 1340119.912 994263.5766 1169834.985 1051432.68 1362342.671 44641.63515 0 0 osmanthuside h 925735.665 1048249.299 979185.2177 708742.5295 1102355.035 889491.2415 986842.8494 911470.7872 1005933.872 723589.4207 672130.8147 741021.5257 n-acetylanonaine 2339750.037 2310191.614 2422777.711 1278849.694 2461238.442 1541028.024 3527389.065 3501854.042 3622259.588 2229368.061 2457371.053 2232036.351 acetoxyacetone 4823647.108 4618548.792 5593759.368 3418432.569 3449521.647 3246144.997 3288606.886 2523563.687 2775361.453 4303843.335 3753533.966 4395923.713 rutoside (rutin) 184866531 186569923.7 154143440.4 100388899.8 99643269.2 68037079.2 2382642.269 2315464.026 1988777.374 152283698.6 140761524.8 127893511.8 phenyllactic acid 5363442.642 5398632.58 5015759.267 2225129.043 2356415.538 2564706.172 829877.6902 884857.8877 674409.2568 12659874.25 11925653.03 12520100.21 adenosine monophosphate 2243760.752 2199549.941 2280595.38 1289950.294 1269677.524 1213182.379 466202.2336 451116.1495 295278.0535 716946.3675 885049.6097 871755.317 (z)-phenylacetaldehyde oxime 788186.7189 639980.1324 830926.8768 6309005.658 7322964.094 7190905.443 64599931.4 60132811.34 63367288.73 510669.941 558198.3025 512478.5295 resorcinol 5227095.904 4577234.743 3464036.502 2634733.162 4201060.169 4025933.705 1175515.04 1382129.108 1006769.108 828811.0194 1039362.92 1098208.609 ()-borneol 370533.1525 362457.7005 326274.5824 245552.2634 241045.5195 251609.4077 2807531.822 2525022.012 2977630.057 265925.6819 317216.6825 271684.3965 5-hydroxymethyl-2-furaldehyde 74801008.89 55303457.72 74201482.31 74845840.28 73561108.62 69495521.34 56980610.55 66574172.74 63019542.89 61503676.29 84313183.87 68441030.76 (-)-12-hydroxyjasmonic acid 482825.7227 451427.7647 1269090.025 570893.432 641833.555 1369653.65 1404282.133 1867443.553 1671427.528 437302.7461 492247.0197 419424.9928 2-hyroxybiphenyl 6531140.965 6828778.206 6266154.837 5690100.494 6300825.876 6683548.155 38134321.83 40230638.66 41063253.28 38928461.02 39372208.63 38187526.94 abscisic acid 2290526.169 2280971.646 1809860.635 2351800.612 2195874.522 2318726.333 3175023.502 2839097.206 3191363.965 661860.474 622080.7139 684131.552 indigo carmine 199362.11 117839.5692 431311.5981 333808.0687 846185.6939 814990.538 118743.5888 270618.0294 88244.51024 100486.7114 685351.1903 188545.3201 picrotin 689469.1341 705821.8293 685594.0086 735099.0974 709858.8389 688853.5168 4114979.62 3679107.008 3841045.153 0 0 0 sonchifolin 1846422.319 1737902.224 1427621.64 5028615.92 1338715.905 1534545.798 8659926.807 6507503.339 8303171.83 19791260.02 17441839.29 19531171.11 1,7-bis(4-hydroxyphenyl)heptane-3,5-diol 23238954.27 17122411.51 16167310.6 8040331.882 7877009.492 6408143.381 20385577.73 17536582.62 24425854.15 926746.4409 381196.421 158873.334 quebrachitol 277164957.9 308209738.8 258509687.2 158744415.6 145343869.4 139855057.5 137304194.8 129113259.1 136434218.8 83630775.54 78550725.69 86445713.19 caffeine 56766326.47 49469949.43 32430359.28 24031440.69 38325839.16 33246619.63 33617889.56 33137244.5 23089762.01 13912986.33 13884625.93 13513254.95 acetovanillone 1148572.194 1157850.921 800330.904 1251480.165 932793.4666 1363328.395 1035220.814 2486375.031 1686171.13 1031847.707 1509608.552 1056152.012 caffeate 558668568.8 384695893.9 348793670.4 292463967.6 306589438.1 206181063.6 19635922.83 19576043.03 12112446.18 25740336.45 20329981.95 18189911.56 3-(2,4-dihydroxyphenyl)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one 2180180.943 2231178.016 1953955.978 3210546.167 3049746.436 2865092.57 10686420.16 9127444.768 10417203.51 1054219.064 1038379.457 1146045.655 2-pyrrolidinone; aif; ce10; ms2dec 2236294.914 2266689.331 3731362.728 2215695.202 2467270.507 2200637.739 2272959.074 2264093.569 1932840.52 2006376.138 2103123.075 1812404.686 methylmalonic acid 2707074.398 2561693.983 2581414.419 2741830.855 2577257.526 3308015.996 2686496.043 2665709.142 5467774.438 2314079.019 2802052.851 2093429.236 (2r,3s,4s,5r,6r)-2-[[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2e)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol 726023.9338 45515.3699 24585.80146 96905.4611 12514.68981 168657.9883 148527.0608 242255.343 314147.0126 1643653.183 1575530.631 1657946.324 magnoloside c 220137.8518 168264.2859 75052.55252 27579.98161 5391.875078 0 0 592566.8933 507061.3762 221562.2049 140027.7848 30474.52837 2-furanmethanol 5595508.231 3857286.727 4541577.038 13560362.14 16939837.12 16425872.57 16311892.65 15905467.61 13509576.72 7250007.28 7173123.998 7287348.085 tricin 7-neohesperidoside 37329560.47 37651374.21 30470923.64 19274325.36 20213129.02 17274015.18 7387421.868 1913968.131 6107587.953 0 0 0 fa 18:4+2o 184331.5484 225168.0855 500070.4158 471257.4998 532911.3702 1238400.789 1147885.209 3142035.536 2481132.818 368834.6275 625554.0189 698367.4822 d-(-)-arabinose 347516.1178 340783.2617 329009.1761 286167.5097 277683.7378 327713.7198 1029492.854 1190743.063 862986.1802 1769485.126 2066127.529 1840297.619 uridine; lc-tdda; ce10 371969.4106 378451.5161 537446.796 381996.3095 508513.3217 1786931.342 7246088.456 6916163.087 8571854.45 2769819.548 2321967.915 2283905.412 salicin 461740.4266 430279.0471 368324.1996 2174852.764 2720883.671 2710362.803 2123806.057 2017164.608 1946514.799 0 0 0 5-trans-pge2 0 0 182284.343 148785.1636 189651.0624 960329.8802 716514.5223 1736243.849 1975795.378 589808.5922 599471.6595 455852.5027 n-methyl-l-glutarate 3189469.978 3205418.98 2710201.954 2740255.579 2756480.165 2848612.82 2260445.051 3075389.361 2922424.004 2161365.423 2735126.523 2475187.728 glyceric acid 1106719.156 1085402.594 1189584.169 1191277.95 1056299.401 1039765.023 3772730.305 1049402.576 1057038.29 1086420.547 1172471.915 1034445.508 melezitose 7640132.279 8168893.002 7313006.15 10040621.07 11483276.31 9503591.07 11653818.99 11183013.87 11088646.97 5167893.129 4909509.555 5055797.783 5z-octadecenoic acid 6351835.273 3057391.593 5442159.259 2920035.829 7642119.366 6742467.286 6477084.202 7031947.038 1611287.636 7237544.466 1838574.252 2213143.789 adenosine-5'-diphosphoglucose 234662.3198 191455.1997 119644.1962 249317.1299 204200.5357 83501.05476 98913.07619 93953.49645 104642.5224 1416862.109 1220334.724 1229945.067 (2s,3r,4s,5r)-2-[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxyoxane-3,4,5-triol 0 0 0 0 23149.44353 37459.82134 77557.21569 55069.30335 58099.12814 1703316.712 1662407.118 1800029.07 benzylacetate 2618887.851 2607459.49 2446366.652 2694370.577 2821211.23 2701853.156 12986096.64 10293971.4 10337788.37 6192690.737 7309667.936 6965886.584 gentiocyanin c 5995104.906 6056136.887 5032316.551 3995557.992 4162026.687 3001018.68 616428.1065 576194.0528 518159.8221 0 0 0 kaempferol-3-o-glucoside-6''-p-coumaroyl 141453330 132744862.6 127854336.5 171600810.3 220962522.5 179051532.6 49768603.99 48681647.87 45699712.96 5760359.115 6545211.384 5603750.888 shikimate 8106745.056 8091677.256 7377631.539 5912948.894 5867647.894 5653252.664 2710226.887 2563348.603 2438816.686 1640649.866 948984.2545 88240.79611 helichrysoside 142769304.7 145279968.6 129611950.9 105321876.9 112524334.2 86345650.44 6436147.624 5860534.342 6274923.17 1459286.924 3510969.479 1631200.877 pyridoxal (vitamin b6) 916792.808 1077724.355 1224075.667 1258921.094 1338868.442 1300458.588 2239328.715 2371640.59 2259969.286 1988442.1 1710041.291 1606665.284 cirsimarin 1887552.367 1866329.815 1703309.052 596230.9716 619027.6263 640819.5895 40825.39891 45292.65087 48624.72554 65354.89918 0 26589.37717 5-valerolactone 738427.2086 706630.5263 642852.1601 700041.1986 690769.1351 664922.4511 757122.4212 751679.8934 750142.0145 759226.1132 792936.2721 843038.4423 (1s,4as,7ar)-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,7a-dihydrocyclopenta[c]pyran-5-one 6487521.491 10325594.47 8195431.743 9383732.905 10563705.18 16990923.26 29752644.1 24903223.76 33294014.35 1296375.342 1627865.28 1558690.568 (+)-cannabidiol 954186.1884 945231.5179 808075.1772 1087760.083 954798.7094 941414.8469 3704262.42 3651322.732 3816550.294 591912.3296 578927.0424 598866.6525 pyruvic acid 8565123.087 13925075.02 8612065.881 8711949.733 9130145.771 9187238.32 5117405.146 5628725.53 5066984.417 4477762.543 5175298.886 4559237.597 9-hydroxy-4-methoxypsoralen 9-glucoside 0 0 0 364694.3493 372803.1087 374376.8909 8138456.951 7302679.389 8043716.147 0 0 0 1,2,3-trihydroxybenzene 4147666.984 3803631.234 3982964.409 5202678.286 6245606.352 5409725.498 4363642.506 4428955.657 4136294.576 2236641.46 2117122.449 2889561.772 larixinic acid 1437812.778 1376966.736 1404450.672 2035101.764 1899299.71 1868407.092 1556460.011 1943734.713 2358367.716 901184.599 1063316.307 364826.8374 13-hpode 11487523.59 10079319.06 31830793.5 8843800.463 10055710.23 34745238.63 30086497.02 29171578.64 37417920.58 5219286.003 5184768.719 4870646.971 2-hydroxycinnamic acid 1291313.755 1124749.456 1280570.939 488729.9344 524116.2849 589307.1393 871058.8064 849450.8325 850250.9748 1775299.835 1942215.127 1954595.38 marmesin 3276486.417 3365172.136 4532383.538 3909532.898 4725579.571 4478081.585 4155463.594 16982964.16 4317461.446 3488931.203 3340592.22 2130591.053 costunolide 134230113.3 137934136 123441337.7 102674508.6 108550988.4 103814962.3 10083860.16 9457859.387 10651884.17 3458953.13 3572526.608 3409619.705 parthenolide 1345784527 1319728301 1174212924 1214062742 1163311395 1237460355 107468849.8 93679453.14 101161636.2 56506202.7 57422620.38 60741571.24 (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(e)-3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol 1499405.678 1327213.034 1715688.215 1690594.571 1763101.646 1426650.333 4202985.829 3934607.168 3910514.698 130477.3569 648972.1283 139695.8658 syringin 6991820.233 7605906.164 6691858.837 7707610.358 7375850.539 7633467.072 25624691.85 22686294.78 25270625.84 1146687.968 1147770.709 1251579.103 ambrosin 7086706.27 6197548.117 6576011.313 7455656.541 7456002.764 7716233.946 10510505.64 8378360.455 10280986.87 1875043.176 1844072.722 1760523.93 (-)-epicatechin 953895.6583 1030729.549 1843087.339 114337.8968 659072.8536 972259.1497 30008.21638 46377.64396 34702.50204 51041.07002 40714.08304 33903.93515 uridine 5'-diphospho-n-acetylglucosamine 240530.9042 287312.2394 512867.4417 335170.1263 270884.0193 284750.1641 771941.6899 625951.3077 978515.797 383512.6332 234060.4752 333811.1983 epsilon-viniferin 32066454.61 32956569.29 27983786.8 13365164.99 14360649.87 8736883.469 433286.0164 98422.76577 332950.2825 1164466.688 695240.2903 681128.7559 (-)-carvone 0 0 0 0 0 303619.0074 2274968.909 1553285.688 2203916.023 32842.77349 164651.1805 86396.80712 pge1 0 72632.93991 450533.0374 246404.3605 140989.3511 0 488502.7593 820596.5237 693850.8852 27417.84881 126435.5513 142825.8489 4-phenyl-3-buten-2-one 55287.58076 102302.0291 78174.85866 43586.33202 44402.82155 116095.2817 578736.3092 687741.9792 620682.6493 225540.9707 241254.4308 257287.0177 butyl paraben 2231757.76 2423705.714 1976565.981 1899456.089 2068893.987 1735167.114 8573256.685 8885915.449 8842246.69 1191658.375 238698.6833 283356.6163 n-alpha-methylhistamine 2801726.247 7895530.867 14132232.54 1324202.453 18951207.17 4433743.206 13490804.56 11378238.52 1150978.515 5479107.036 4899832.046 3046167.85 glucosamine 359397286.1 367104939.2 318062842.3 373624663.3 365376404.3 352822662.4 1476314.752 1514811.5 1382574.427 1740252.05 1697623.651 1701271.356 11,22-dimethyl (6e,17e)-3,14-dioxo-8,19-bis({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4,9,15,20-tetraoxatricyclo[16.4.0.0,]docosa-6,10,17,21-tetraene-11,22-dicarboxylate 580508.1598 461340.8525 380666.5697 860475.8841 751035.9058 429400.3402 13154445.52 11497762.75 12824507.83 155446.1323 119499.0758 159298.0801 5-hydroxy-3-(4-methoxyphenyl)-7-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)-4h-chromen-4-one 587608.8396 618675.9827 547264.5782 200800.0997 278236.872 331868.0317 5096.615304 0 6666.348023 0 0 20691.37427 pomiferin 5171323.971 28242903.38 1500722.814 5744056.079 3399402.221 704607.9278 1284308.76 31357717.56 2576806.247 284905.7987 631364.708 1982147.923 2-phenylethyl formate 15772378.39 15759867.87 15873147.74 15583537.74 15645902.88 15205598.39 1842562.003 1417657.262 1943544.589 1062350.132 1007969.169 904132.4833 solidagenone 2059290.768 1823679.777 1124073.154 1028261.862 1185330.117 941025.288 0 0 0 0 0 0 neochlorogenic acid 1495916.001 1379722.726 1406809.842 1487497.543 2121350.845 989029.3585 1196457.261 2139584.9 749092.7254 365038.2418 333715.9713 307896.0092 huperzine b 138911.7717 135965.1199 147526.4936 79112.32569 113454.6652 131020.1204 3196499.642 2179726.877 3305901.482 1840618.972 1885652.828 1878807.182 2-[3,4-dihydroxy-2,2-dimethyl-8-(3-methylbut-2-enoxy)-3,4-dihydrochromen-6-yl]-5,7-dihydroxy-2,3-dihydrochromen-4-one 15908962.51 18469299.02 19216488.98 13808376.32 14248684.18 17768596.53 12701536.9 11676546.11 15968233.78 20978485.43 18175152 19126037.98 7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol 338775.4264 326408.9582 541655.0367 487453.3529 644261.6685 1584820.245 758325.9662 752607.5909 868576.767 2032793.442 1774877.838 1626185.725 2-phenylethanol 5851307.245 5764279.722 10385638.72 4410096.602 5966458.933 5794044.777 14309277.61 12865343.25 14483487.77 12701488.45 17333109.55 13177491.25 aurantio-obtusin beta-d-glucoside 558624.8594 576082.572 571113.9975 73500.34912 97227.57792 83278.60641 225820.7264 217289.5947 267455.4454 0 0 0 4-isopropylbenzoic acid 101602.5882 90479.4391 95691.95882 46285.7089 133673.0178 199759.0558 232908.1698 195640.0447 169544.9539 274294.4276 159949.5847 171238.3097 pc(16:0/18:2(9z,12z)) 19365177.98 15495834.27 780474.1052 2385065.733 801090.6428 727770.3203 13192127.36 950911.7897 12729828.6 15197295.36 1133604.323 17157070.83 glyceraldehyde 3350952.52 3309779.227 3932002.505 5450707.103 4916162.788 5258951.118 13497538.52 12754057.71 12841153.25 3239400.863 3959209.158 3318465.899 benzoic acid + 1o, o-hex 2283658.016 2096993.077 2278732.686 1084395.812 95717.22649 791497.4727 276214.0848 303568.246 311742.0786 436982.2185 461290.3333 353591.9389 pgb2-[d4] 348284.7401 369737.6395 497353.021 197411.9878 220820.6602 244828.8184 7584321.892 2553331.377 1421059.747 258893.4806 213821.2409 73136.44619 uracil; ce30; isakrjdgnuqoic-uhfffaoysa-n 0 0 0 0 0 258940.0903 4309258.409 4176931.622 4985233.815 1106798.061 456808.7833 589263.365 12-opda 4637593.255 2576163.457 6069387.755 5314019.206 5683556.381 10972303.16 18463547.68 12719051.21 16963476.25 3596642.053 3229530.111 3178033.273 caffeic acid o-glucoside 22589988.88 20744663.25 17565771.36 43765351.03 43391915.86 22665430.2 7907121.344 6962518.708 4409689.131 1231618.01 1373263.895 1162132.108 [2-[(2~{s},3~{r},4~{s},5~{s},6~{r})-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl (~{e})-3-(3,4-dihydroxyphenyl)prop-2-enoate 1916546.828 1944019.542 1655215.044 1180171.825 1333424.186 1346198.272 1327910.669 1407803.872 1220800.384 1086112.759 929916.7521 1141396.066 methyl beta-orcinolcarboxylate 4405290.519 1087800.512 1194202.662 1002045.618 1179516.376 1346469.111 1034144.647 1188535.09 1063720.989 986809.183 1241442.079 944818.8234 9-hpode 1171963.761 1234668.413 3814440.253 1416883.803 1817479.773 7015061.107 5095580.533 13477140.92 12080406.58 1155808.535 1324908.279 1072488.429 glycitein 33906.15437 27028.26358 34905.27312 0 0 0 0 5318.604505 10759.81588 0 0 0 4-hydroxy-3-methylbenzoic acid 1489838.194 1435285.185 1469335.84 1377212.786 1368121.019 1511296.121 1135523.733 1364615.688 1175192.067 2008612.62 2294589.245 2146231.336 1,6-anhydro-b-glucose 15004384.32 3737796.573 41951476.6 35912074.89 40856443.32 2713857.972 29992059.36 35237918.41 38913848.72 35912381.57 35776283.7 30415816.91 11z-hexadecenoic acid 1182946.573 1223470.065 1576986.782 1661085.776 1737257.758 1557032.853 1071848.277 1307096.823 1262150.663 1357241.149 1635805.121 1284959.33 methionine 2794281.118 2788664.225 2544037.192 1390274.825 2101576.343 1272857.193 1960994.796 1942937.157 1983551.263 3093281.322 3254381.132 3236848.297 benzoic acid + 1o, 2meo, o-hex 1421341.532 1272757.703 1313750.989 476366.0154 501623.0671 467554.2013 184656.1015 171777.2583 165214.9814 1090461.53 1095846.705 1207843.705 benzamide 3191629.3 3827629.833 2042937.993 1860723.87 1856940.929 1185770.54 2517978.711 1708645.865 1805383.627 1895655.182 990575.0494 406171.0729 phenylacetic acid + 2o, o-hex 472179.5948 377333.6701 367423.2081 167408.9019 213128.9981 231713.5544 263728.8215 187551.0824 247225.9371 1285092.008 1066342.291 1189351.702 bebeerine 3957281.343 3723664.865 3633045.282 1217382.69 1755455.2 1461956.239 1543564.277 1049882.607 1352378.83 387974.3415 195690.1501 664073.7252 jaeschkeanadiol 1162191.478 1201024.145 1198072.802 893231.3812 902416.3965 1218341.927 1347962.054 1401045.773 1453909.547 3236904.647 2946427.292 2478290.08 (1s,3r,4s,5r)-4-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid 1514053.371 1437145.29 1647246.022 1743487.832 1456297.9 1327001.851 1601667.596 935604.5906 896358.0603 830322.4598 864048.4723 365669.7201 rhamnazin 3-isorhamninoside 1922819.392 2081777.99 1659752.883 1050639.691 1151407.784 804522.9038 94355.29447 55520.14062 47700.53823 0 0 0 16-heptadecyne-1,2,4-triol 4642581.853 4247789.361 7171908.721 12618481.19 12849620.51 21469583.05 27591150.75 32152382.27 32595697.34 4799087.87 7394002.12 6454578.903 diferuloylputrescine 1644888.912 1512231.727 934369.1815 0 0 0 22070.89119 38380.20264 39229.61282 84979.03294 94018.20368 96586.31894 populin 0 0 0 0 0 0 0 0 0 0 0 0 angelol b 30035.48385 9237.826437 0 0 0 0 20163.17715 47200.41118 0 0 19595.52181 84641.83583 l-ornithine 1384522.361 1334685.465 1217628.472 887829.7308 941495.7124 1042878.248 2697459.168 2590331.878 2834922.28 1066521.333 1211288.888 943687.8791 d-arabinono-1,4-lactone 1440209.968 1860161.753 610939.6917 2686590.563 2027132.442 1732767.48 2655602.972 2028919.924 3167509.264 1556666.821 1665752.801 5718736.855 stearidonic acid 505600.4438 509639.9759 866437.7296 1082703.337 1187848.413 4205256.044 11452687.73 5510567.203 11278387.81 898606.2162 1012119.354 943712.804 furfural 31200827.47 32262711.98 28671696.6 32368727.72 33580224.2 31508074.23 2713124.257 2490764.427 2725469.494 524174.1575 613155.864 573381.1964 14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0,.0,hexadecan-5-ol 695591.0374 649615.7306 670676.2594 1342708.21 1463303.12 3631294.165 6691532.979 8355716.128 8009831.253 1438653.633 2637211.102 1975992.77 dimethylglycine 1132464.412 1040035.254 1232638.535 1254440.593 1515189.288 1270879.875 1157210.513 1215487.4 1154275.779 1017159.93 1202809.158 1064191.379 linoleoyl ethanolamide 7603871.538 7043653.358 5393949.618 1728438.508 1747728.662 1413675.102 2178727.303 1767679.033 1076824.206 1154744.145 1926941.357 2237029.13 (2~{s},3~{r},4~{s},5~{s},6~{r})-2-[4-[[(3~{s},4~{r},5~{s})-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 7803712.35 7920210.801 7494059.934 23634223.54 24540399.89 23974564.65 7385971.318 6445717.342 7722829.501 17820443.37 15920549.96 17567521.2 syringic acid 266618.9721 337424.2556 413725.9937 257618.7692 262155.5806 336770.0897 170075.4966 241391.2586 146272.807 304465.5149 439821.228 329632.336 coumarin + 1o + 1meo, o-hex-hex; plasma id-1437 20285.35838 32632.31745 31676.5823 2234445.736 1965455.798 961497.4677 6317779.212 5460808.796 4922052.238 36050.89347 42327.02219 45812.03389 2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol 3898075.278 3180499.022 3441839.519 1669927.23 1921618.93 2306515.834 155149.9731 84456.11932 115489.4187 2132824.356 1609295.33 1809356.16 pterolactam 8358552.388 8047368.136 5394873.517 4013220.687 4314138.775 4038415.638 14438541.39 12745468.55 10527396.54 10164660.56 9874579.789 9853267.375 cryptochlorogenic acid 2041983.027 3258077.894 3791740.372 3021002.932 3357555.935 2320396.139 2273375.491 1585247.099 14311272.31 544225.7665 766314.9819 456859.2249 ovalitenin b 988906.638 890549.622 743850.021 342271.7766 466621.8608 1176975.189 975192.4423 934697.2993 908956.8585 1188336.48 1705265.393 1688461.177 arbutin 77225.61812 93517.90567 531043.7204 103622.8018 71843.76463 102258.1187 4837454.448 3408693.911 5817022.465 81501.53316 8581.646133 16482.85445 oleamide 759939053.4 871298083.8 588342146.3 484982713 588632966.4 535602460.3 510232730.9 687719570.5 651189747.3 630525917.1 836103205.8 767106227.4 3,4',5,7-tetrahydroxyflavone 6581059.406 6499975.894 6250125.641 3607073.634 4142826.175 3566200.216 1399175.603 1425955.505 1325036.785 442258.0595 469478.8589 435554.7507 1-methyltryptamine 4043649.624 3755664.434 3604488.877 623351.5442 1408752.482 5874427.211 2205039.328 1620616.234 1889763.263 823708.5871 800665.93 895542.1436 9-oxoode 1535953.073 1809953.602 4096047.59 4865201.393 4209022.287 16150608.14 3435437.148 4430646.345 5154080.67 5447306.894 5785020.353 6570152.147 4-hydroxy-5-(5-hydroxypentan-2-yl)-6-methyl-3-methylidene-3~{a},4,7,7~{a}-tetrahydro-1-benzofuran-2-one 494840.1643 498714.362 507536.0854 351982.0634 425030.1631 434855.8764 3093613.693 2541860.576 2969452.164 363380.846 386168.1448 355800.0674 palmitic amide 1479131.492 1447651.037 2175224.7 4573284.642 2199418.994 1753220.203 3243582.036 4374505.355 4228225.802 2469683.912 2169084.362 2193158.017 isorhamnetin-3-o-rutinoside 26968235.81 27665135.34 29580013.63 22506095.89 29120776.8 16475226.25 930828.8213 1000551.17 1000671.176 27295.3343 32836.32902 0 piperidine 4417670.617 4279131.349 4868762.581 11137421.43 10835076.12 11572004.17 30566388.92 28116858.37 30512623.33 4991413.494 5013596.553 4934587.445 palmitolinoleic acid 563972.2827 479933.3112 709230.3271 671604.0319 711374.3989 669677.8218 449699.7657 3075735.586 374467.3279 529880.7273 408632.5762 597387.5943 1-(4'-hydroxyphenyl)ethanol 1379765.894 1224592.647 1533208.881 1544486.607 1502518.176 1640992.899 1212353.364 1480700.058 1683114.719 1453276.382 1278042.164 1309169.581 acteoside 6466425.852 2853630.321 10129386.67 6138498.999 4685951.184 3082976.59 754890.0054 1331990.256 624065.8111 322696.0833 523458.9483 195216.3361 3-amino-2-piperidone 109643.7996 1340323.89 1203580.967 77595.44168 868906.4596 502569.6607 1730029.728 2261270.367 253963.2663 583034.0828 1295816.226 530727.6279 2-furoic acid 1615465.439 1473753.847 1497439.892 1625121.3 1700227.437 1842685.818 3881696.716 3598247.912 3982000.294 987548.4976 889856.9982 1191975.31 2-hydroxyadipic acid 10216368.64 7165426.437 10408933.37 9461926.91 10753674.89 10287223.23 8478345.207 10142838.47 8151852.01 8639534.807 10617945.18 8894128.155 (e)-3-[2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid 443989.6476 236470.1249 45383.94139 41943.44925 47606.35672 413834.3963 4204554.185 3925145.278 4362471.529 4734926.208 4983418.572 4861813.218 chaulmoogric acid 2852146.792 2116971.523 2891409.923 2643424.8 2853084.099 1199292.429 3110561.536 2577065.171 2612287.965 1926487.85 2336352.601 2493675.093 1-cyano-2-hydroxy-3-butene 245618.7869 413287.8224 527449.9762 480416.2195 459261.5685 302017.9143 804602.6282 401299.4348 197283.9256 269390.3163 819393.621 649621.0782 4-hydroxy-4-methyl-2-pentanone 247024.3761 74665.69894 0 1046815.87 1380348.288 1024832.031 649172.2485 395931.1997 500687.0564 243417.9845 0 83996.07174 4-(2-nitroethyl)phenyl 6-o--d-xylopyranosyl--d-glucopyranoside 755962784.5 743431706.7 648527081.8 410952873.1 418451584.1 207339221.8 366509494 368333110.9 280188414.4 61832137.84 61094622.4 65557307.53 (e,e)-4,4''-bi(n-4-hydroxycinnamoylserotonin) 933235765.9 903870468.4 813998638.1 650558204.6 738785123.2 544744762.6 41569953.02 44487715.59 24986123.49 21231637.8 15602164.28 11454324.63 2,5-diisopropylphenol 2268093.432 2192402.632 2011281.071 1992880.785 1967472.772 2088500.033 11498995.87 10776857.61 11831472.04 5403408.922 5495311.033 5859108.597 asperuloside 955197.0648 1007473.459 668046.2082 107520.0658 93124.10741 298418.6909 93602.95676 53639.4961 176591.2594 10625224.65 10044758.58 10300720.19 dabinol 1508116.461 1520565.581 1384322.755 2500132.914 2275904.064 1955337.29 1862676.428 1767074.42 1839514.295 647464.2893 503519.7461 570191.0305 isofraxidin 186002.7715 173544.4076 161007.9085 176565.4549 116256.5817 161195.4893 176241.264 209083.5971 189766.3175 182078.2756 178094.1738 148009.4992 5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one 116075.9516 179692.7793 101825.0298 175625.0259 208950.122 196386.1877 134765.9601 155955.3887 156652.9978 23634613.47 20712009.48 23423278.21 myristoleic acid methyl ester 1136373.776 331303.0813 1441049.719 1050880.849 948540.2508 1573785.008 959397.7973 875703.7915 1040409.341 494616.0823 766854.1365 594971.6938 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{h}-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one 611596.5696 915061.5144 545039.9085 564738.5525 427065.5433 931015.6256 779301.3045 540315.4498 421566.9681 23479.7943 0 0 methyl (4~{s},5~{z},6~{s})-5-ethylidene-4-(2-methoxy-2-oxoethyl)-6-[(2~{s},3~{r},4~{s},5~{s},6~{r})-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4~{h}-pyran-3-carboxylate 4207642.226 4302740.006 3655162.983 1593999.399 1779325.023 1032008.309 0 927444.1956 0 0 0 0 5-isopropyl-2-methylphenol acetate 3705155.657 3353936.545 3429421.556 1112496.413 1154697.231 1071232.481 1155826.561 763861.1303 1068587.782 0 0 0 [(1ar,1bs,2s,5as,6r,6as)-5a-hydroxy-1a-methyl-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1b,2,6,6a-tetrahydrooxireno[1,2]cyclopenta[4,5-b]pyran-6-yl] (2e,6s)-6-hydroxy-2,6-dimethylocta-2,7-dienoate 275220.3851 240494.6162 511862.4346 468624.9305 573618.6613 560169.2771 651452.5985 802180.2657 138330.5699 142729.4966 184776.6735 157886.699 phenol 519130.4348 505727.1821 490448.6404 752770.0154 790265.898 1125580.849 321947.6438 535249.665 253879.6717 0 0 0 xanthopterin 2107199.458 2111181.604 1995172.215 1025466.252 980496.2763 1402316.348 663779.1945 591917.5672 877473.8599 970308.7064 991712.6544 1025980.876 isopalmitic acid 2042269.297 2439530.35 2601329.477 3496475.52 1711584.911 2848643.972 4787561.048 5364784.916 4449679.662 4544958.997 4128485.317 2777501.194 (1~{r},4~{z},9~{s})-4-(hydroxymethyl)-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one 93400987.89 88918860.42 84828329.43 80107556.24 82528912.6 85540445.25 398185844.9 362103514.3 376346473.2 216986302.6 219570978.3 222164774.8 2-[(2s,4ar,8as)-2-hydroxy-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1h-naphthalen-2-yl]prop-2-enoic acid 463178.1787 492949.3042 459282.4862 469902.7576 542973.0799 520244.3333 3077084.814 2093685.973 2261012.637 3503400.054 5199093.47 3219169.694 sweroside 6179016.812 6559013.893 4951697.387 202665.5654 0 233357.4769 568251.2143 500923.2177 439977.0222 0 18822.2631 67273.88438 2-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one 767178.402 774947.1754 703959.0455 238475.9634 188911.1376 112056.6772 97809.7466 169135.9253 108090.9431 134450.1076 96069.20575 116361.7685 pinolenic acid 4549484.287 4311832.109 4613522.844 4645427.491 4634272.036 4993631.14 3789028.259 9140589.91 3941441.262 5348973.433 3415885.751 4785281.328 pyridoxine 4212529.508 4324052.711 3588188.772 2175125.237 2105457.946 2203333.16 6703187.617 6276945.048 5008370.901 1383130.382 1303055.86 2198972.57 1-naphthol 3192769.912 2631575.916 3907968.725 5038653.217 3430340.039 3693216.9 4613285.936 4147546.114 5141300.079 4537905.428 5650637.171 5554166.249 [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate 14415195.72 14152690.28 12273346.4 9823142.389 10583443.75 7625020.91 706668.9358 588644.7409 564768.796 1284519.528 903374.627 827939.5872 13-oxoode 11945228.7 8807754.884 29017171.04 8280914.892 8864669.599 34237302.84 29277970.96 39211581.83 41791929 11364561.27 11823804.71 11102885.37 (1r,3r,4s,5r)-1,3,4-trihydroxy-5-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid 202284.9782 207498.5739 324099.7255 660255.3018 891898.5471 825674.6501 327706.4592 312653.4321 282879.2966 50517.04018 39682.75624 68557.6009 triptophenolide 778807.8672 628460.6212 883748.2158 1039966.055 915543.6645 877230.3291 717084.622 901918.55 816745.0974 754241.1368 748702.375 830679.7631 5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0^{3,5}.0^{8,10}]pentadeca-1(12),14-diene 7880563.536 7676633.156 7099488.962 6902075.107 7277203.964 7579238.218 6580865.999 5792950.034 6293673.963 466743.1573 1395987.093 289700.6896 s-adenosyl-l-methionine 58519.05903 64908.91125 114816.731 200405.8158 204726.0735 206069.9977 290408.4012 584376.8876 745709.5086 354451.1956 318155.2051 316303.99 carvone 919105.5744 603198.6083 514527.6808 501831.3902 513327.975 587962.9817 3406071.016 3177071.493 3334648.538 252143.0576 291954.6495 261457.0726 methyl (1s,4ar,6s,7r,7as)-4a,7-dihydroxy-6-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 425910.3969 323543.7292 579246.8864 324560.0403 327852.703 319252.0074 429423.1891 256421.3004 269068.4247 9252621.497 7935479.747 7015574.03 (9a-hydroxy-3,8a-dimethyl-5-methylidene-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8-yl) acetate 1288391660 1225859133 296970349.2 289088973.8 286120410.7 1250710651 2093055297 1891410045 2053495858 1822277560 1815230021 1916619033 artemisyl propionate 533621.5345 635913.977 586529.0958 591791.9453 670556.0532 580258.3596 22809411.37 23500743.98 22854552.62 482011.1135 277746.7908 363212.6227 phytuberin 19257344.84 17811262.97 17416070.21 16933613.11 17421885.61 18871114.74 79225154.8 72687864.43 76772892.89 48950174.14 48689843.8 49817172.12 precocene ii 0 0 0 0 0 0 2186975.62 1826420.253 2036965.222 24528.95321 0 0 altenusin 804113.1913 847580.2411 671145.7831 738709.9334 959344.1606 835685.4406 1226932.169 864636.9172 1355517.507 59639.28155 114471.7397 89414.82885 mearnsetin 3-o-(4''-o-acetyl)-alpha-l-rhamnopyranoside 2414933.872 2314287.028 2202787.841 1773323.586 1838658.62 1422438.762 813913.9148 751164.8696 706864.2963 0 0 0 (2r,3r,4s,5s,6r)-2-[2-(4-methoxyphenyl)ethoxy]-6-[[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol 3994455.649 4665289.159 4051162.051 4487286.33 3749454.153 3513468.743 3308466.818 2674584.803 2075038.682 1610663.047 1200379.752 1054139.241 ()9-hode 3483392.356 3582358.135 4846897.038 5293563.026 6485959.052 10157337.24 6661642.572 7401075.628 8702889.147 5036215.482 4646596.767 3979265.967 myristicanol a 21576.99049 37840.82434 0 42876.67298 0 88647.28287 408024.714 399541.5529 309394.9855 56677758.97 50287066.52 57521879.68 gibberellin a4 1204726.006 1157058.878 1011234.647 1102725.325 1092936.221 1052566.162 3905596.27 3032633.752 3813529.551 936369.5159 771067.2512 1013655.536 linderalactone 114240.272 81368.82516 170177.3696 45120.0476 77848.33566 29102.61769 645071.3121 658969.9909 485805.2285 0 0 0 3-methylcrotonaldehyde 7183141.09 7811439.166 7761697.892 7811298.666 8623126.915 8554645.852 60049040.92 36332899.22 36666070.78 23898850.32 23509678.08 23664794.95 oxyresveratrol 206422.3684 207425.7901 219417.3599 185361.7011 218237.4296 390804.7048 1624729.785 1340942.869 1674574.888 394849.4499 229478.924 229806.0088 [(2~{s},3~{s},4~{r},5~{r},6~{s})-4,5-diacetyloxy-6-[[(1~{s},2~{s},4~{s},5~{s},6~{r},10~{s})-2-(hydroxymethyl)-10-[(2~{s},3~{r},4~{s},5~{s},6~{r})-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.0^{2,4}]dec-7-en-5-yl]oxy]-2-methyloxan-3-yl] (~{e})-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate 20391263.37 16307276.43 10021092.35 19235894.41 13412019.62 10211974.44 7546765.991 7043427.931 4268185.94 198878.1938 296556.7839 284574.7325 2-[(2'r,8r,8as)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1h-naphthalene-8,5'-oxolane]-2'-yl]acetic acid 1019451.909 948796.8726 905560.6425 469776.0706 486512.0462 514733.3928 2070278.917 1528367.685 1591407.814 0 26045.07254 0 1-[2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-1-one 184468.0122 185627.8257 60510.17406 18739.06101 0 0 2031429.564 1376557.565 1834472.976 0 0 0 niacinamide 853765.6134 2066132.986 2489665.081 315960.7774 1033243.919 689652.5463 2559240.277 3384233.343 675249.6122 1919635.365 1450837.785 1629766.535 1,3,6-trihydroxy-2-(3-methylbut-2-enyl)xanthen-9-one 17428638.94 9816038.454 12895865 14950023.11 15041147.27 14596268.84 4134903.743 3683770.87 9680715.983 2067198.527 7507718.784 1551736.021 dodecanoic acid 2549833.799 3307098.74 10691580.32 8889218 5980886.869 9332902.34 2518510.26 3734892.954 5083092.93 3130358.342 5989177.817 3511798.142 9-hode 3142544.462 3157847.29 3816146.874 5940284.468 4287809.823 4941692.447 2249787.738 2928783.258 3171542.265 1838768.608 3225250.1 5246879.063 dihydroferulic acid 1618028.382 1487225.656 1536055.881 1173343.928 1414714.366 2251026.741 1333146.99 1440619.172 1295837.712 2777926.566 1652444.776 1275215.573 epiyangambin 8672812.245 5031886.353 7295113.984 11995616.79 4047419.123 3799454.993 3925151.14 5950951.423 4488404.778 4308726.825 4417932.719 4121827.055 methyl (2s,3r,4s)-4-[[(1r)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1h-isoquinolin-1-yl]methyl]-3-ethenyl-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2h-pyran-5-carboxylate 134257.8698 118920.8067 106105.1034 410765.0968 387884.2443 371453.0539 319438.8707 266514.3009 324182.5849 4414946.53 3125242.323 2810031.739 naringenin 765724.1149 837587.6593 695877.4917 690795.8926 720825.4397 657697.1689 404671.2239 187314.2297 366817.3647 398624.523 333434.817 375570.0151 1-aminocyclopropane-1-carboxylate 2043015.547 67498046.71 23197033.4 10473113.95 17466542.26 97238829.46 15456643.1 91442751.41 11961954.87 62770947.21 41406748.74 78703584.62 (4s,5z,6s)-4-(2-methoxy-2-oxoethyl)-5-[2-[(e)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4h-pyran-3-carboxylic acid 190078.7382 149576.1172 133744.6648 106547.5856 119176.9281 177577.4218 357765.3875 600682.0376 680952.4562 123348761.4 131983797.9 126581656.2 beta-parinaric acid 670122.5143 553281.995 2457311.853 1138504.58 1357543.743 4877239.48 1754118.482 2852682.505 2110299.449 7647847.802 6942552.312 7417601.872 proline betaine 14176902.31 14365430.1 12434381.08 12859435.21 13679068.01 14247137.03 11361934.69 11902227.22 7183137.135 2451164.836 2671656.355 3176935.238 chavicol 229923.1568 199312.4093 150070.6565 274827.5925 191544.0065 154647.4657 265897.3426 236345.3459 275072.844 142808.0465 231701.4408 307198.3763 [(2s,3s,4r,5r)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 1185060.126 1044071.735 764909.1035 427106.3693 594688.4137 403829.8549 1292504.891 1207651.756 1300014.811 469587.3004 382603.557 400600.7655 pechueloic acid 681019.7831 671435.614 649928.5603 1218044.861 1320336.366 1228207.106 17415400.44 17480871.38 17743871.83 84453.66752 86467.40989 74712.78046 dalbinol o-glucoside 3079620.811 2376469.159 2764016.13 2402141.175 2319338.622 1715422.576 1081222.152 1011692.375 1194514.704 160255.632 81839.90527 100219.1012 hydnocarpic acid 498845.7209 465052.9817 589160.3547 609421.7554 1165041.04 630250.9465 419435.1315 615096.084 387251.5162 447153.2255 935499.3464 522236.0802 (1r,2e,7r,10e,12s,13s,15r)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one 310362.2943 265847.0049 443336.8185 2297872.92 2988466.079 5232511.678 1706774.967 4202320.336 3503990.602 1481421.903 2118322.898 2047962.852 (e)-3,7-dimethyl-2,6-octadienyl octanoate 2232957.192 2579283.51 2467843.214 1850582.83 2486584.419 2365735.856 2917450.289 2591087.4 2583624.35 2463895.092 2371608.119 2526791.804 guattegaumerine 11311833.17 17094163.91 1043551.343 4396534.996 1741725.99 370672.6422 581506.035 8869759.477 1852343.114 38841547.42 48434919.36 60427317.31 5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2h-naphthalen-1-yl)-3-methylpentanoic acid 10894865.3 11086516.51 8694793.749 3117338.079 3562959.203 3047944.948 3412786.163 2420046.498 2959618.378 83130.17371 71198.42906 63504.37298 (r,e)-8,8-dimethyl-2-oxo-2,8,9,10-tetrahydropyrano[2,3-f]chromen-9-yl 2-methylbut-2-enoate 33474097.3 34432158.42 29888448.31 29651755.9 33984718.87 35799720.37 104000880.2 94307231.29 109939364.1 122034268.4 98259636.31 111031261.2 2-hydroxy-2-(hydroxymethyl)-2h-pyran-3(6h)-one 5530884.118 4104854.215 6346520.246 22144095.38 20912084.02 5645298.929 5395175.742 5435405.469 9931898.032 5222810.125 10742025.9 11580416.74 plumieride 141089.4218 175627.458 448252.4653 194209.7463 223976.4603 469166.5741 937459.843 636395.5917 962505.6938 158221.5599 61657.48404 67052.30082 l-sorbose 8067882.18 8280253.443 8708970.736 6709110.285 7154548.656 11167715.52 4330425.696 5216867.106 4860231.869 6899195.563 7568643.641 6223669.486 (3~{a}~{r},4~{a}~{r},8~{a}~{r},9~{a}~{r})-4~{a}-hydroxy-8~{a}-methyl-3,5-dimethylidene-4,6,7,8,9,9~{a}-hexahydro-3~{a}~{h}-benzo[f][1]benzofuran-2-one 7518291.084 7328264.794 6700743.744 6804361.947 6840329.455 7793565618 73113158.89 42471598.41 68634738.81 41111649.02 41345777.58 41255350.11 3,3',4,4'-tetramethoxy-7,7'-epoxylignan 3491670.082 2757558.148 1117385.262 0 0 0 107041.9439 132446.3293 97310.68401 277463.1756 299196.4036 310385.0412 carnosine 15554767.79 15662956.62 16132027.5 3768820.038 9543931.571 10130468.04 2400790.235 348211.848 3322829.816 1096867.204 1743243.92 995215.3276 (2z)-3,7-dimethyl-2,6-octadienyl acetate 0 0 0 0 0 0 1534939.189 1435743.391 1362797.65 315759.2255 254279.3082 393156.5787 3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one 2844601.98 2993528.026 3763939.795 2097528.456 4306551.723 3180938.32 4406781.139 5354249.402 5495926.66 2845791.007 2835926.16 2569316.341 shogaol 5953364.846 5758903.305 4085192.186 784400.2512 1208188.473 2338331.947 1676697.597 2437990.017 1372339.78 8846933.197 8906562.193 9007339.027 [(2s,3r,4r,5r,6s)-2-[[(1as,1bs,2s,5ar,6s,6as)-1a-(hydroxymethyl)-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bh-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-4,5-dihydroxy-6-methyloxan-3-yl] (e)-3-(4-hydroxyphenyl)prop-2-enoate 207866367.5 129766526.6 99146187.72 32089495.13 252033999.5 32550749.41 68300052.37 39526181.74 29693731.05 6343708.755 5937840.358 7781204.686 dehydrocostus lactone 31131083.05 30114050.92 28208449.48 26351885.72 25676136.15 31337960.32 238604613.6 213976927.5 247455109.4 29489984.21 34804036.49 30933860.01 rauwolscine 13902.3642 8313.57189 0 0 0 1219638.064 484757.4728 524161.8949 689185.5833 112614.3861 169553.9004 155577.877 linoelaidic acid 1219156.53 1661961.897 1627298.779 1529707.888 1659009.605 685977.0557 1769579.696 1766260.266 1692438.224 858102.1607 1047825.999 1057488.945 histidine 0 0 0 0 62747.17168 0 102796.0109 274976.4215 387089.3985 8985016.465 9436005.747 9503326.56 gentianaine 512655.3267 587079.3961 580360.5046 1911781.769 1736019.607 1942774.846 1773599.581 631710.6807 1593623.208 697859.7613 1777033.353 1163395.512 1-methyl-l-histidine 1105065.609 1228028.331 727940.9347 1096537.378 962870.1892 968993.5668 1494685.137 1220015.493 1039914.241 959456.2102 1069022.556 934581.4594 10-hydroxyloganin 14107.02324 17380.01815 16898.20939 500212.1883 18249.70675 0 2856554.724 2480038.087 2698550.647 98665.55694 227756.0009 122399.0212 (1r,3r,4s,6s,8r,9r,10s,11s)-8-hydroxy-3,8-dimethyl-12-methylidene-10-[(2-methylprop-2-enoyl)oxy]-7,13-dioxo-5,14-dioxatricyclo[9.3.0.0,tetradecan-9-yl 2-methylprop-2-enoate 0 0 7681.310445 297845.6023 310007.5349 289644.2219 1021183.052 949731.1058 943571.3015 0 0 0 (1r,3r,4s,6s,8r,9r,10s,11s)-9-(acetyloxy)-8-hydroxy-3,8-dimethyl-12-methylidene-7,13-dioxo-5,14-dioxatricyclo[9.3.0.0,tetradecan-10-yl 2-methylprop-2-enoate 263053.4105 240845.7733 120218.4651 295459.718 279427.7267 340129.1362 5822105.37 3720903.559 6727115.141 0 0 0 engeletin 107308.7713 112130.9384 68038.78343 968234.7943 841814.2617 959263.4674 0 0 0 39245.79778 30083.3855 42990.50656 tephrosin 18474221.17 18826215.2 19877710.46 14340396.89 14767283.06 15765068.27 153145128.8 146644583.2 157927031.7 32958214.8 32915738.09 33041060.67 elaidic acid 4036638.527 1303589.148 4340190.996 3818451.508 1988541.431 4218956.233 3450371.562 3991323.184 3649543.596 3986897.905 4421366.387 1675070.608 paeonol 855552.1765 740398.8626 1084989.722 1235732.906 1207823.558 1009751.485 648378.574 945159.6197 873740.6061 878827.3196 730168.0949 839226.5491 histamine 2685118.1 5220299.008 3465136.26 2471126.404 4172570.866 5269458.047 7502288.795 4786453.341 5357048.06 1609614.637 1483115.799 1351190.453 dihydropinosylvin 707492.9227 915271.6838 680206.6296 664077.813 589280.6385 577718.4598 699391.9563 808527.6569 366017.8237 375842.5954 570529.59 757704.3012 fa 9:1+1o 2997395.89 2882873.5 3684889.644 3525760.458 3996180.783 4832758.156 4094741.238 4732320.518 4767198.166 2909771.636 3401746.255 3323307.801 (r)-hydnocarpic acid 416550.7084 477861.6629 527430.0003 537841.9074 559956.8727 1302255.695 598795.5767 748964.3469 600196.3482 647810.2808 693760.4344 644202.0564 isorhamnetin 3-rutinoside 4'-rhamnoside 0 35691.85259 0 78093.40843 170289.8638 37182.67137 0 6108.061788 0 0 0 0 5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0^{3,5}.0^{8,10}]pentadec-1(15)-en-14-one 6681889.213 6392242.377 5694499.215 6536597.765 6341648.989 7273085.345 2936888.575 2588114.788 3056947.796 1513145.425 1526610.566 1617267.059 fa 18:1+3o 150602.2278 142466.4067 172191.9005 178101.6872 209001.5517 298261.0268 202712.8929 213417.0134 206460.8754 845415.8898 946146.0514 879898.2914 crustecdysone 0 0 12224.54128 286691.2074 308395.9781 281189.3778 341998.3907 752360.2281 607128.6864 0 0 0 sterebin a 1931572.317 1633685.762 4608388.066 4105021.771 2238600.471 7792813.443 5605111.29 10818541.62 5597387.843 1465619.609 1421396.316 1303184.284 menthol(-) 264187023.7 257764698.8 243476513.1 242828927 254634007.6 243287700.6 40741000.12 38899034.22 40826974.89 11093196.97 12232000.32 11636182.5 ethyl 3-phenylpropanoate 727633.494 693887.4448 711768.4587 190038.8492 236151.3525 203130.4514 3785554.707 3523444.253 3924792.478 537110.1497 568552.0239 551365.7455 tomentosolic acid 55475.51897 49036.71621 51083.89653 64728.33181 79878.68958 91255.51759 72181.26795 76685.82762 64349.66289 25754.1074 0 0 tulipinolide 18501260.05 18717553.03 15569889.32 15742728.94 14377154.06 17019780.48 221728133.7 180422238.5 235072312.8 20839626.99 21397891.89 21813064.98 (1r,4r)-dihydrocarvone 1066783.974 1278420.787 1201440.52 1186781.015 1270592.541 1264522.164 1332811.688 1306020.019 1315408.327 1207092.901 1318430.224 1369203.772 3-hydroxy-beta-ionone 2059287.593 2091872.654 2014496.426 1837900.089 1858398.113 1788203.48 54948389.56 48932604.43 50245924.19 639325.4664 608023.4802 612377.9943 pyrocatechuic acid 2065949.139 2438957.332 3009835.736 5159306.445 3497740.547 3368842.467 3088911.761 3097725.966 5133680.127 2562278.526 2299666.632 2100038.768 p-octopamine 1216992.789 835808.093 1329628.03 1298335.57 1305377.591 1378056.289 1476819.012 1479090.076 1353778.945 1341907.674 1427111.192 1239445.358 dihydro-2-methyl-3(2h)-furanone 218504.7509 118062.6633 191625.0144 87541.65191 49295.48122 137101.0522 144445.2301 175938.4546 81049.40885 1114892.961 965272.5467 906311.501 lactic acid; lc-tdda; ce20 28851246.1 28831483.79 33122422.98 110082293.5 107417897.2 117274365.8 97054264.38 96949112.84 100237437.8 47175426.81 49341947.76 49038915.56 pinene oxide 7654333.552 7432618.704 8900316.54 6311630.149 7042516.278 7393204.486 110547434.3 93909109.36 109660715 1234618.539 1046816.8 1784790.727 nicotiflorin 13037044.04 12886995.87 10641020.45 9858348.048 10212147.54 7164870.951 49140.88536 0 22584.04982 21116.48986 6826.700367 24705.70072 azadirachtin 108186.0272 161952.8576 694766.5864 2556412.601 2498155.911 4834339.387 1746772.29 1843216.215 2352758.557 2086641.757 1714565.015 1587732.768 6,8,10,12-pentadecatetraenal 1960481.651 2069709.003 2119549.961 1074935.639 1925311.806 1762273.487 1358789.307 1215142.585 1305367.984 2340923.888 1560608.879 1418919.549 paeoniflorin 631906.3385 562475.1918 308923.2417 402546.6277 351146.387 877083.5714 1207152.887 1078238.648 1161090.96 116914.5986 195340.7673 177959.1336 quercetin-3-o-deoxyhexosyl(1-2)pentoside 156468.756 119664.0086 180053.1165 0 57798.69885 0 0 0 0 0 0 0 5-hydroxy-3,8-dimethoxy-3',4'-methylenedioxy-7-prenyloxyflavone 2747155.724 4050531.626 2723522.313 1001205.44 951684.3652 843729.8651 4924748.012 4385094.369 4921596.026 867862.1623 834331.2475 918691.0813 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one 7244161.47 7651078.888 7767281.345 7810140.581 8267387.485 8056796.875 4242567.121 4060430.821 4523913.806 2660135.823 2498444.726 2498512.231 5,7-dihydroxy-2-(2-hydroxyphenyl)-3-(((2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-((((2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)methyl)tetrahydro-2h-pyran-2-yl)oxy)-4h-chromen-4-one 1105359.714 7312604.601 7635893.199 10906882.91 11933351.09 10183316.97 5450814.102 5402726.204 6035915.913 842191.5386 774797.3267 669055.6249 indole-3-methyl acetate 1741396.796 1371875.947 1620999.121 942830.4191 1251747.785 645179.1903 4232748.36 3073696.348 3920572.529 56049.46261 145583.4193 200326.2848 7-hydroxy-6-methoxy-8-[(2~{s},3~{r},4~{s},5~{s},6~{r})-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one 480524.6572 479802.1236 300648.5166 1299365.042 1147911.132 1229845.484 606222.3382 642414.7129 615343.5644 126217.2684 114416.5378 132439.604 2-amino-3-prop-2-enylsulfinylpropanoic acid 51259623.48 51628299.79 36653671.73 24403188.08 25190580.22 16815913.14 11476565.32 10612571.06 7296497.167 6010987.148 4335218.656 4105567.022 (3~{r},3~{a}~{r})-3-(furan-3-yl)-3~{a},7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one 2092505.487 2193108.771 2499839.003 2295735.083 2503023.75 2422121.812 2141986.494 2520347.557 2006992.276 1692552.687 989802.1001 2049756.007 emetine 3763.16822 0 0 1604944.938 1661700.506 1937975.044 36997676.48 33614457.55 35557487.77 0 0 0 tetradecanedioic acid 431823.3633 375062.3021 714404.8818 553894.8883 774822.5515 589737.2629 6404741.336 5180170.611 6994784.099 440061.7318 591984.1445 465618.6224 [(6~{e},10~{e})-6,10-dimethyl-3-methylidene-2-oxo-3~{a},4,5,8,9,11~{a}-hexahydrocyclodeca[b]furan-4-yl] acetate 9158549.404 9291051.905 7476432.334 7363290.178 7487634.581 8615691.456 107956558.9 99543404.57 115639911.2 12192119.92 11812245.23 12536724.01 kenusanone e 1330258.393 1283445.714 1535730.934 657401.8779 683907.7967 666140.5369 377759.663 284606.472 404261.8102 451473.9096 510476.2559 507228.2338 lycopersiconol 3555587.24 3509749.488 3644303.435 3452986.04 3069296.562 3270073.819 32129391.09 27061439.41 29453703.38 1302966.064 542376.1865 634547.9514 2-hydroxyacetanilide 10001113.85 10126110.31 5491752.197 4987610.452 5010971.856 9517317.376 29393865.96 26988612.08 29378119.24 26352239.03 24795404.15 26767124.89 linoleic acid 1300259.528 1833414.996 1570944.478 1244071.166 1873105.81 1757974.107 1069566.659 1552738.688 1117202.506 1428255.912 1630391.296 2360091.541 danthron 151807.1365 294336.5882 551543.1911 130236.3451 447065.3184 403313.8067 455903.4454 654695.1458 241205.8746 212999.1105 428036.2259 213502.1228 9-oxootre 3522775.259 2613970.436 6728913.29 4927975.33 4992693.365 9946623.468 48048348.53 42127247.65 62788418.53 4573737.706 8089394.439 7838607.519 confertifoline 3608468.92 2550098.503 2774774.417 2737894.163 2867931.14 4159911.136 3680844.902 3293245.201 4402055.407 2668297.212 2299079.997 2172555.459 catalpol 526971.2336 600435.8126 725004.4058 117980.1974 437929.9583 466807.9044 239261.3208 229626.4804 301177.3376 71061.23315 438319.002 146360.0359 2e,4z-decadienal 4061684.92 3899300.754 3936274.292 6883511.174 6826128.24 7355229.885 138581607.3 117427696.9 134094655.8 580051.4046 505296.1635 523455.1517 4',5-dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide 1323505.172 1250499.035 1341314.136 371883.9004 469166.0158 474802.0692 472730.9841 421396.8833 414494.8542 127762.0363 197425.0917 193289.2637 methylgingerol 4164933.863 4425194.663 3073945.06 739869.654 773636.5135 911814.6324 2092229.33 3403598.546 2948586.913 530007.6698 581326.9009 730823.6488 phenmetrazine 646664.2022 572004.3921 477040.494 250167.8539 331025.6711 678216.5059 1697423.02 1313668.33 1362059.337 593022.8552 851539.8359 688895.7667 3-o-neohesperidoside quercetin 148516285.9 151685684.6 126128143.4 105098571.9 110238496.6 82931902.29 7288628.223 5428174.396 7158419.167 2489589.207 2615253.46 1985746.386 3~{a}-hydroxy-3,5~{a},9-trimethyl-4,5,6,7,8,9~{b}-hexahydro-3~{h}-benzo[g][1]benzofuran-2-one 11891220.65 12116530.59 9870940.767 5668904.121 5516396.635 6263596.787 4833444.243 4886097.463 6004621.808 3127502.207 3056650.422 3358958.633 2-acetylpyrazine 5668767.474 2124288.564 2338658.337 2016454.281 4044704.233 2704350.367 2206979.051 3507002.185 2138534.874 2204395.655 2032952.573 1422833.712 (3~{r},5~{s},8~{e})-5,9,14-trimethyl-4,12-dioxatricyclo[9.3.0.0^{3,5}]tetradeca-1(11),8,13-trien-2-one 1427084716 1450858177 581021223 556886386.6 552659699.2 1467048498 3470866015 3425455013 3624021860 3350827242 3376180966 3385977566 caprolactone 360941.7746 390226.28 397031.2218 379856.4587 408078.9733 324201.6187 146117.4227 216068.1082 240473.449 3400008.374 3393768.659 3252590.081 koparin 2'-methyl ether 506122.09 451218.2897 364901.5769 376259.4248 265658.7127 391143.4235 376766.9178 484113.0746 377698.1248 472910.3722 431533.1035 485048.3451 l-arabitol 38899303.87 41802166.5 38726398.77 35708658.1 35429894.32 31833416.33 24419899.79 22537894 24358118.78 23666966.96 23140143.25 23764619.36 (~{e})-3-[(1~{r},4~{s},7~{r},7~{a}~{r})-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7~{a}-hexahydro-1~{h}-inden-4-yl]-2-methylprop-2-enoic acid 131153.361 101153.359 152809.1854 163017.5134 100096.6443 181589.3348 6600790.576 6351931.452 6188636.574 21833.33819 0 0 epioxylubimin 853387.9087 844868.1323 907244.9477 1499491.796 1837372.211 4092050.002 6963421.828 7267495.94 7881925.078 2895632.412 2703274.063 2477179.312 calomelanol h 269313.2122 219322.1145 214191.6001 354371.9836 296594.5376 374602.6565 0 0 0 2134816.957 2135935.858 2179136.671 bungeiside c 2583738.101 1023230.097 1496439.097 1993010.625 2029469.807 4273877.591 10035145.99 8250683.991 8634063.021 685678.2262 613022.4898 828062.974 (z)-3-[4-methoxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid 1650261.959 1251540.282 1658235.652 2202656.877 2081175.586 2065882.969 7150443.829 6195536.121 6893220.469 192356.2471 187441.8602 184623.3904 aromadendrin 517015.6686 546382.4381 541471.6688 1593682.609 1603263.003 1426750.935 18559.5929 24068.77303 20671.63731 0 3755.214777 0 harpagoside 1835470.27 1868477.461 1426787.973 2505741.534 2300763.739 2053268.36 15255023.16 14695571.03 14942832.17 752882.5254 663183.4309 711111.5322 cis-parinaric acid methyl ester 171356.4877 164165.0995 272064.4889 495850.7151 652575.4715 966776.2404 1768472.542 1577591.835 2464125.69 229229.0855 281758.6637 269347.0009 inosine 246923.0001 256067.676 205435.261 118308.2089 118523.3834 105971.0829 131158.4178 126767.5122 147357.2741 808222.5081 726138.2963 816754.3631 oleic acid 777473.3967 917257.3081 1386598.542 1539594.796 1048103.76 997960.0596 751762.7078 912619.7549 888930.3302 988369.8192 1073552.897 1282284.379 4-cumylphenol 1200719.964 2157010.536 1398132.125 1666426.234 1085159.117 1854891.292 4895011.285 3332042.36 4030414.864 253756.6553 301473.077 207194.8095 betavulgarin glucoside 6772559.973 6113566.34 4598957.562 8793572.384 6123769.128 2221938.399 238378.8031 297608.3497 106690.6851 0 0 0 4-hydroxydihydrocinnamaldehyde 748740.7567 710786.2731 660961.5185 193395.3254 278407.1687 416098.3521 327044.0785 317580.9503 188782.4105 593546.6823 629114.2557 682651.9665 noradrenaline [m+h-h2o]+; aif; ce0; ms2dec 1498265.689 928167.5459 1147367.242 1007848.693 791546.0087 764155.0704 1313853.047 1436868.323 1420246.082 1853314.602 3485221.848 1541260.464 1-oleoyl-rac-glycerol 295875.4013 290048.9248 242023.7418 84849.28443 73412.60788 21356.43696 2068412.934 1612721.302 1581057.056 237457.9027 456963.4359 421968.2587 3,7,21-trihydroxy-17,17-dimethyl-14-(3-methylbut-2-en-1-yl)-10,12,16-trioxapentacyclo[11.8.0.0,.0,.0,henicosa-1(13),4(9),5,7,14,18,20-heptaen-2-one 236288.5496 718657.1184 101432.3701 88617.3333 164729.009 62387.6237 153149.6159 938346.5897 189893.6983 62081.72669 58484.95572 115154.2049 eremopetasinorone a 481071.7508 425106.3966 602557.8047 1884271.1 2142199.361 1764713.437 46472738.88 42274266.33 46588230.02 1544916.013 1386845.145 1497838.318 p-anisaldehyde 687319.0642 1082047.199 258257.4645 752137.7762 715307.0461 818391.8088 1181649.405 1038238.939 1180162.071 3276313.507 3036894.321 2974379.978 p-isopropylphenol 201631.9208 233950.3383 278794.299 251108.1068 257893.3627 258944.0409 397169.9795 394971.0739 438472.9615 303722.6548 282070.4963 219184.6345 epinepetalactone 1394535.946 1733949.188 755437.3326 844880.7001 2039472.342 1870668.988 7152720.84 6812489.905 7091979.127 906544.414 1079520.477 907574.8645 9,12-hexadecadienoic acid 462970.6629 373079.8848 532215.4745 390849.1835 750107.2932 714892.4642 332040.1791 222890.3355 498850.5244 433088.1691 355001.6355 489927.2792 lucuminamide 1133168.873 1069284.889 837213.3957 1876494.951 1859932.762 1516488.13 1902996.039 1645387.201 1745375.002 1849416.966 1761920.263 1915183.031 deoxyloganic acid (not validated) 591983.8883 666570.333 563474.7103 711801.4018 615365.659 690323.8201 2527533.029 2283592.318 2458388.233 39432.84645 52902.93499 36649.14189 [(1~{s},3~{a}~{r},5~{r},5~{a}~{r},8~{a}~{r},9~{s},9~{a}~{r})-1,5,8~{a}-trimethyl-2,8-dioxo-3~{a},4,5,5~{a},9,9~{a}-hexahydro-1~{h}-azuleno[6,5-b]furan-9-yl] 2-methylprop-2-enoate 3037865.841 2704946.445 2604690.937 1040098.065 1071918.073 1475966.58 1064894.097 939103.661 1159959.445 940439.8254 496589.9287 375593.3199 artonin t 27144.77679 15395.36257 18691.72522 6996.669789 19128.80022 97170.18824 72386.59181 22255.78689 83649.86199 14163419.56 16184026.94 15658926.98 caproic acid 1241959.746 1214662.969 1166107.602 825132.1177 839510.8477 1113157.118 9838137.647 9630631.637 11259672.1 2410921.305 2440731.248 2528514.786 sphinganine 3232843.732 5339705.732 7130620.869 4327813.477 3293979.724 4797575.981 7630197.317 7930533.325 1703519.385 5946525.896 6036887.183 3620900.611 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 1815142.654 1242817.529 1815018.437 181013.5913 215791.8335 94933.11508 19653.946 14911.88423 59877.35758 52911.44401 49487.53969 66016.23032 nicotyrine 387376.8161 413031.1578 393883.2883 1437165.832 1481942.329 1701386.363 2285689.771 2071101.915 2293982.154 1682484.693 1482684.645 1611561.348 9-{[(2e)-3,7-dimethyl-2,6-octadienyl]oxy}-7h-furo[3,2-g]chromen-7-one 245202.8064 223751.7887 148209.8771 210539.1062 169851.4163 261569.9341 9235375.7 7874483.773 8815793.7 0 0 0 5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{h}-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one 6943038.744 7179558.879 6272883.694 4501472.054 3425397.77 2769322.533 254721.2895 276032.7991 278235.4124 652320.725 657719.2576 512631.2477 alpha-santalol 263080.3567 214415.9691 281924.5572 357122.6511 374979.3328 393408.478 21225523.88 18560856.36 20630294.17 205654.9161 222606.513 217686.1883 lycoflexine 3713122.106 2494402.108 1994315.431 1623873.054 1715561.082 1723843.201 3156644.184 2078256.446 1848280.272 1219299.534 1465568.086 1292570.488 podorhizol beta-d-glucoside 2198624.127 1840020.894 2013326.957 402294.9247 458307.4428 540611.8314 323003.2175 234745.004 325490.6622 198616.257 152054.8011 177429.0836 4-hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one 182308.2279 198870.0189 305312.3613 474767.0077 639088.3863 1132924.725 2991093.277 3107108.306 3192477.03 484840.3135 753940.3266 636710.784 lethedoside a 21496808.08 20695081.87 17510434.76 20916408.98 16589384.62 6303262.167 65134.73335 85490.86533 60477.48638 174252.9684 115528.5905 141702.2825 4-hydroxystyrene 2589924.794 2547603.231 2430061.102 665049.5339 752000.862 589526.1549 561456.4737 590901.6959 523620.0958 883037.8495 832471.998 922961.6021 3-furoic acid 5525898.513 5599136.874 6086910.983 5048848.67 4003118.985 4378241.672 6015244.206 6511011.976 6646796.67 7279155.515 8292552.626 7706120.36 nandrolone 2472326.02 2275974.041 7368935.142 5419887.867 4906721.693 12777971.77 5760892.425 6996242.603 7108307.06 1716799.249 2087833.556 2126170.465 neocnidilide 561252.5374 664325.1728 793401.1197 1033187.594 1335301.919 2451441.829 507792.5496 584001.8962 778892.4154 478743.9725 653602.7732 576979.9396 3,4-di-o-caffeoylquinic acid 182059.8951 211058.3719 279945.1075 632458.5717 797746.2357 654538.5968 0 0 0 469286.6418 391938.4242 372084.353 glutathione 4920209.158 4959549.92 4452061.168 5017446.008 6295067.917 5541910.481 2335823.581 1997735.596 1720772.076 123118.3623 108012.1253 77009.20081 pentose-hexose + c5h9 1029461.923 709598.9539 1699761.77 7400860.977 7181689.735 7158396.908 71295.74388 70492.78782 94943.82655 117552.6822 77647.62278 67700.10228 plantagoside 117724.912 144449.6307 68232.07238 86816.81023 90908.91213 63590.48737 0 0 0 161421.0295 566081.7282 0 honokiol 8001861.497 7994486.917 7672396.049 3845412.611 3700859.75 4534117.995 518129.3256 649203.6799 554231.9047 977952.1398 945348.4291 957805.4549 enanthotoxin 498586.8268 575064.2846 475589.0992 463939.8909 498239.7046 459250.6556 1341738.672 1200706.575 1371786.77 3836332.125 4035002.664 3966042.885 4-methylvaleric acid 16060618.78 15985509.94 14639853.29 12228536.75 12312959.68 13991309.2 12774479.46 11790041.07 13058007.63 3927432.762 3438264.01 3688007.47 2-[3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]-3-hydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 0 0 24010.99312 0 19575.65353 122722.3758 0 0 0 17914473.75 16589746.76 17385127.08 alpha,4,2'-trihydroxy-4-o-geranyldihydrochalcone 346195.1946 144044.2427 242223.6342 533533.229 218771.4745 271379.4098 65501.9296 152404.7745 0 176383.5052 129712.7175 103804.0124 cycloveratrylene 723728.0391 643641.7577 714677.6902 338533.3896 347123.1284 403019.4762 1748937.517 1589913.081 191154.9398 740065.3464 705656.1821 672197.8272 7-o-methylrosmanol 232261.2438 241162.7387 242745.7679 184282.1416 194119.0644 231020.712 11278101.44 10636636.19 11990415.9 209062.8786 240565.5848 214858.7944 tecomine 33869263.3 41317680.33 30292326.97 48711671.76 45630006.81 48229391.24 35375364.2 33456841.85 34981745.37 8845939.436 9979128.18 9343430.577 indolepropionic acid 937788.0618 1377948.323 890304.0716 1708779.175 1111999.747 1370514.423 818911.9603 2583129.835 946005.4511 3943257.085 3690604.377 3476368.064 6-gingerol 1579963.501 2124571.076 1947175.951 2600951.796 1536460.357 1901477.601 3267115.041 1629136.279 1869497.883 4084349.795 2240352.595 2021942.929 3-hydroxy-2-methylpyridine 3956519.715 1385805.302 6755204.497 6274287.478 8999938.485 6341483.493 5388872.014 5906033.974 7643866.106 5398494.546 6439106.528 5943953.857 2,2,6,7-tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-one 1237624.492 960526.375 1046537.237 1939113.626 1928736.054 1892433.251 9917593.348 8249241.425 9528809.306 1121102.131 940477.7671 1084891.627 guvacine 1600937.156 9836619.317 2377309.414 6327935.656 6029015.126 1755013.76 1529445.607 1585910.909 2479261.712 1397163.83 1247195.826 1476757.624 catechol 2424927.559 2275354.854 2431365.351 781809.7308 1556462.5 2886509.494 1925469.508 1827385.785 1656742.27 2297903.763 2130932.02 2075590.418 2-methoxycinnamaldehyde 10627561.05 9868700.511 9394492.983 9803965.847 10276569.41 9727548.098 5387717.63 4865159.608 5348298.957 913994.1114 947301.4105 1308195.608 methyl 2-aminobenzoate 3463132.184 1498394.167 569519.3903 1003191.763 2129781.887 842900.3995 821276.7313 1702445.54 4503770.408 1492394.327 1189627.145 625163.0538 paeonilactone b 1122542.236 789304.0532 1815113.455 1659204.121 1739576.384 1534533.807 1552113.501 1749480.165 1450559.644 2072185.995 3891740.128 923635.7542 1-monomyristin 2316254.247 2089041.766 3410293.202 3723908.306 3960072.374 5978581.767 28480421.75 23884510.64 26303164.89 2397376.368 3267939.095 3796931.766 all-trans-farnesyl acetate 296141.2642 331113.254 396777.9867 380272.7695 447363.0405 687395.76 936044.6089 1184800.527 1202630.086 1070493.544 904764.611 733603.3522 deoxylapachol 388671.8747 448295.1015 458121.9288 457699.2343 541258.0028 163213.0515 573718.4275 552925.76 517652.7613 272023.038 502877.959 299276.3675 glabranine 3502602.418 6819226.221 8021376.261 3191783.369 3120087.341 3544816.982 451111.1459 848389.5311 1142452.893 0 1914511.414 111088.7778 demethoxycentaureidin 7-o-rutinoside 21850148.72 22377789.09 18776197.97 11336872.22 12370492.1 10790071.36 4594022.099 1221889.74 4618531.09 47500.74195 46655.68399 30949.25943 d-dethiobiotin 20411626.03 20707715.97 19441988.19 9164440.933 9532097.214 14981441.16 16095053.44 18693907.11 19575131.7 8839922.738 8721989.695 7524150.93 (r)-11,12,13-trinor-1(5),6,9-guaiatrien-8-one 10515062.21 8898111.83 8385855.558 9379014.338 9401201.435 9089378.314 33163303.6 37484062.64 64210737.24 30305838.02 30479465.04 30280752.1 diosmin 1595102.331 1300337.884 1573955.083 902499.477 1012512.711 1152988.373 242238.619 67248.58975 258071.9713 0 0 0 lespenefril 4103826.077 4281785.845 3538016.605 2427526.951 2455674.85 2126481.219 26795.49328 0 14719.48214 20880.96415 0 0 methyl (1s,4as,7as)-7-(hydroxymethyl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 2025388.571 2669177.991 1667457.979 359089.0632 408145.4556 1266242.54 1020445.444 634608.7499 319583.0828 39224.28956 81589.41638 12503.31386 symplocosin 77212949.4 73323874.68 69694465.52 61283443 63643592.12 61167811.29 25434334.5 25471678.66 25563528.22 51642858.03 49735193.41 53672935.16 desacetylvindoline 1182251.824 1254821.305 1152102.631 2067495.338 1960452.904 2233091.228 11731116.07 10603251.83 11903792.88 949542.2775 1060325.518 531460.1459 physalin b 41316.62407 17181.08365 12161.15559 24509.87644 31445.31782 40422.51902 164446.02 142283.3686 166850.4828 75557.75512 112698.9083 111847.0752 phenylethyl 2-glucoside 42533.49496 67767.74422 0 1591365.101 1447514.785 1772502.176 19577050.21 17817348.13 19893306.48 70208.668 32468.36446 39064.34985 pentose-hexose + c10h17 435457.7585 400346.6219 394169.4226 169476.2231 215596.1438 181741.601 208477.3015 83712.9218 119085.7477 24942.77007 22404.32725 19850.08744 pseudoionone 569929.3451 568688.1452 509658.7896 339821.2696 363326.4869 0 13769184.23 13738970.65 13770536.56 0 0 0 embigenin 2006050.709 1569053.518 1688404.755 842282.8187 434132.2801 1169908.707 0 0 0 70382.0606 57293.82317 41231.27979 12s,13r-epome 2305363.384 1088516.236 1692083.089 1442345.26 2168102.444 864991.0964 1547937.483 1494191.304 1051951.512 1070392.756 1130482.24 1042035.758 (1s,4as,7s,7as)-7-hydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1h-cyclopenta[c]pyran-4-carboxylic acid 1918961.187 2205758.111 2368474.46 1880134.003 3973604.673 3254336.688 3863800.367 3407385.268 4072004.35 727072.5342 726523.4719 654861.8979 sugeonyl acetate 128235819.7 126492253 109946857.6 103234136.9 93292807.27 94625016.3 26608633.2 22810423.31 25227653.32 23840114.23 23677479.86 24506722.34 shanzhiside methyl ester 479355.6492 359381.4148 106660.1067 491905.6717 434909.0967 486484.5323 1770581.281 1612459.631 1805703.882 228337.2819 179520.4996 210826.0496 cularidine 397521.928 833588.3322 507032.931 1270342.306 462832.8566 1075705.337 427274.494 612192.756 477783.3239 5757543.025 6189201.203 4490529.606 mab3 1038696.747 1007279.983 897460.7668 1483767.298 1508501.669 1787487.98 2674515.708 2255184.5 2345026.353 29012843.8 28794321.24 29208012.93 lotaustralin 7506878.903 7739762.412 8802440.591 8600261.077 8690045.001 8317546.416 7425684.394 9391335.784 7248522.884 8546225.166 8645767.454 8593968.17 silibinin 51472.03414 52372.94611 31698.51202 200292.0375 190155.1345 159977.4052 284414.0748 410761.1395 472188.9517 232525.0287 268449.0333 232998.7228 methyl (3x,10r)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside 7848468.034 7809154.384 7903474.805 5068860.785 5188597.067 4991501.931 2779263.023 2649568.607 2931608.285 2497005.455 2527652.072 2724924.89 (4~{a}~{r},5~{r},6~{r})-6-hydroxy-4~{a},5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4~{h}-naphthalen-2-one 864345.3535 1018497.721 927343.1689 814732.6136 769693.4221 767129.9792 298189.7529 327925.8812 236749.9923 142405.5694 139153.2038 128109.2807 melatonin 221486862 219385005.9 198700348.9 205176290.7 198447782.3 208738872 18535719.98 15973906.16 17162337.73 9416503.531 9927524.987 10003578.44 geniposide 40496862.17 46176971.9 51405990.79 76490178.4 86007862.52 73325230 9742002.334 11973092.45 6040759.889 2138624.266 1818016.469 1565617.895 colnelenic acid 844241.338 1476131.445 1217503.056 663212.7828 1067674.478 1388407.037 1551113.543 2251455.705 2104726.7 1015408.848 1269985.512 1052344.503 riboflavin-5-phosphate 1116620.949 971722.228 674250.6461 766552.376 1169272.139 1394605.429 1349650.135 1444784.671 1827883.334 561682.5315 386571.5781 506199.9743 9-decynoic acid 560974.9517 449659.4647 723577.3835 619152.8806 777801.5598 832027.5988 6833495.063 5570028.15 6919499.075 278466.7953 404900.0832 262138.3965 pterosin b 106877048.5 109826300.1 104669983.6 113316065.8 112958985.5 111883473.7 777735814.3 486615390.6 496571331 309270608 319903474.1 317601130.8 11-hexadecenoic acid 1032562.933 2514579.264 3414880.393 3390547.207 3658585.694 3368844.902 2200958.542 2838299.974 2724624.247 1603639.558 3532698.005 1145047.039 caprylic acid 9318638.418 9631696.418 8897737.841 6127748.113 6505491.823 7688021.662 3017002.803 3254447.331 3164700.887 2484045.444 2319158.515 2819909.06 hypericin 92837.967 97496.81666 111613.3884 114635.296 93645.33718 110100.0782 12565.12261 0 0 1354347.222 1207823.946 1301032.761 theobromine 44318635.63 41999868.23 34956880.17 184955945.1 243777952 271400526.2 197598175.5 197623301 155214083.7 58020957.33 59839194.39 57650588.29 p-methoxycinnamaldehyde 5034273.558 4635023.662 4702468.947 5073791.047 4776692.694 5469304.015 24194640.47 22320525.99 23677472.17 14070123.74 14310145.86 15007215.22 (2r,3r,4s,5s,6r)-2-[(e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 0 0 0 3295185.33 2925355.413 3093629.052 6173390.175 5500117.775 5369506.896 0 0 0 2-ethylpyrazine 971993.1217 1256212.546 3387902.51 1595194.427 1416644.651 1449136.071 1662037.309 1784047.834 1503715.847 948891.821 1455782.23 1533691.093 4-[4-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol 334623.1346 219666.1416 287538.4765 217468.5037 248378.481 215470.4216 297281.6682 266466.7562 277358.9881 289652.8219 493014.8167 525356.3725 avenalumic acid 4194467.3 4109262.594 4051558.742 3821400.027 3760756.485 3990464.024 12696202.53 17951306.09 15866649.93 11377639.17 12259799.39 11474332.62 trehalose 12973792.57 11332009.25 5894912.308 5315015.249 3956242.715 1978111.168 805944.5041 592573.4017 545374.2394 3996111.884 3143538.112 2682515.996 buddledin a 10379358.34 9561753.078 8703712.448 8755559.128 8604513.116 9446447.066 54369236.17 49199284.65 52534325.59 32150854.58 31106568.63 32426863.34 pelargonate 9188154.966 11117530.73 12471881.34 8365341.624 12419372.57 14518881.1 10559276.91 12586695.98 15968663.76 10018516.27 11110495.85 8797833.207 9-oxo-10,12-octadecadienoic acid 1899696.558 1895980.927 2074465.423 1452063.321 2294673.35 2657843.192 2850878.343 3587516.53 3317814.695 1765006.263 1914617.615 4455100.003 [(1~{s},2~{s},3~{a}~{r},4~{s},5~{s},6~{e},9~{r},11~{r},12~{e},13~{a}~{s})-4,9,11-triacetyloxy-3~{a}-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13~{a}-octahydro-1~{h}-cyclopenta[12]annulen-1-yl] benzoate 1106966.81 4213436.877 2492751.814 65413.66661 164580.04 74545.79512 2050784.633 1512874.77 1100271.131 84338.16223 119437.8586 130782.223 isorhamnetin 3-galactoside 2762412.959 2686844.067 2679485.62 1470929.449 1334019.884 1033474.697 400739.3876 289092.2802 233400.7476 0 0 0 viburtinal 15000861.68 14400383.26 15711471.88 11302292.22 11724273.46 9601547.965 1682851.846 1601095.568 1737805.794 2459729.68 2464054.061 2480480.756 rhaponiticin 67772.89685 0 38670.43028 995952.3664 1053854.301 1488496.124 6123643.852 6042716.918 6645584.343 4272339.49 3668122.08 3900574.785 d-pantothenic acid 2531444.096 2569041.933 2367922.482 3329267.457 3327067.83 2995705.044 11805650.98 10756253.74 11387039.88 18098625.14 16252221.85 17905821.5 antiarol 3016227.935 2902251.041 2463634.843 3316621.369 3607488.22 3433582.168 2828006.225 3275341.868 3096687.42 3734552.325 3420968.741 2933151.34 sclareolide 776462.0435 564034.8033 584761.0458 959371.8416 710333.899 727608.2069 383565.7283 540601.5833 416580.1042 657530.4272 600049.8452 642028.4692 7-methylxanthine 9449377.778 9748889.822 8952262.054 13275250.32 12883969.05 13165146.42 27282693.88 25518898.87 28479278.66 20807335.92 20691532.04 21234101.36 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one 3962141.834 2709888.908 4285312.456 4152215.386 4610104.548 9082473.062 1130229.29 1005081.926 858934.5706 284373.1704 102972.5267 151894.4352 isozaluzanin c 396334.4015 476124.7055 643555.4667 511253.1184 648308.7663 606192.234 2398795.816 2223548.978 2559134.017 2129045.966 1902302.528 1920401.761 (4ar,6r,6ar,13s,13ar)-13-(-piperidin-2-yl)tetradecahydro-1h-6,13-methanodipyrido[1,2-a:3',2'-e]azocine 205291.8952 202260.5721 164376.0248 234040.0485 227676.3872 203491.0198 127779.3856 116278.2977 116485.9746 0 0 0 7,10,13-hexadecatrienoic acid 1882191.323 1657616.986 1902164.576 1636003.687 2327433.841 2231190.856 1660434.198 494802.46 1769240.118 1728003.494 1891243.395 1885179.42 methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate 2875318.137 2974528.147 2609078.327 2659486.396 2711781.931 2624015.367 15171765.02 14866938.83 16185207.35 2112072.306 2068702.223 2146440.88 5-[(2~{r},3~{s})-6-hydroxy-2-(4-hydroxyphenyl)-4-[(~{e})-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol 265416.3855 282337.8647 223724.526 1617745.814 1661167.699 1965248.616 1509606.758 1579422.329 1482953.39 0 0 27993.42784 obtusaquinone 4883162.248 3770923.891 4065763.342 2454107.982 5859310.851 5507392.811 4023752.647 3839533.011 3942422.905 3319524.679 4431084.544 2054895.027 2-methoxycinnamic acid 2399588.719 2270747.835 2075910.998 2587748.743 2691935.069 2630829.677 859002.5283 860636.7169 1034794.08 45635.39684 241649.2013 122616.2205 isorhamnetin-3-o-neohespeidoside 298931304.8 307033311.7 239137780.3 196975889.5 190320140.7 123168136.1 9191905.811 7690715.525 7473589.693 700277.983 795773.7914 474999.0527 curculigoside 7717776.499 7401310.072 5101188.586 9115117.864 7317073.797 2997539.697 391916.2625 478676.255 185642.6108 246659.7415 52930.51055 122932.2225 alpha-ergocryptine 4158.871427 0 0 15108.5448 4760.89448 4137.430988 2631181.886 2666973.093 2557158.325 0 0 0 4-o-methylphloracetophenone 4565798.105 4686271.669 4007654.583 4880248.412 4454078.312 1769341.313 667706.856 648534.9116 626093.9055 418370.3257 496921.6317 525610.8026 [10]-gingerdione 0 0 0 0 0 518309.8246 4013314.1 4177975.916 7941310.385 987386.5779 1091469.013 1010655.276 pendulin 216883889.5 208890713.2 153309131.6 269275220.5 235056340.2 89098402.66 11727083.85 14377553.46 6377216.474 1881635.477 2249892.067 1582443.122 (2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[[(2~{r},3~{s},4~{s},5~{r},6~{r})-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol 335602.3712 1449671.662 136607.3462 386818.2747 347721.9275 92663.74939 60417.93666 803894.235 95456.73274 2187313.297 14495975.95 2445834.193 neoabietinol 276008.9953 142718.6063 914835.9001 2378333.13 365392.0664 233247.837 0 58029.1354 86736.84483 0 0 0 phthalic anhydride 6969312.998 7113161.62 8041298.681 8244812.584 8267703.129 7841246.536 7141679.215 8684566.897 7142264.846 7869937.338 7894852.818 8238906.907 itaconate 8949035.197 8779394.326 9118906.409 7980620.893 8841684.407 8511035.849 11449038.01 12078687.96 11577014.36 10611456.41 11333556.09 10780585.39 avocadenofuran 7593870.012 7359969.25 6032955.726 4953308.721 4499015.118 3485141.892 6936587.301 6098563.195 6634892.342 2936444.78 3151150.663 3211080.08 2,4-dihydroxyheptadec-16-enyl acetate 609813.1187 430882.9116 481274.7283 461509.9999 541780.258 579273.4828 597311.4412 737710.0933 961265.9569 728209.1193 823648.5351 591494.4208 mgmg 18:2 2483194.075 2312638.134 1979132.374 1139300.043 948346.3594 637770.9311 7114805.122 5147283.592 5352078.535 48188.63075 93980.82148 58849.76521 (9z,12r)-12-hydroxyoctadec-9-enoic acid 2520445.66 2563897.797 3173644.311 2916521.293 3276996.506 3015020.434 2823231.385 2859521.056 2842448.202 3015397.329 4797898.392 2806815.754 isoalantolactone 238450279.8 243268558.6 214151068.5 124763569.5 125240400.8 136299711.1 237169856.8 219003374.9 241342384.6 65391225.44 65944659.6 66910033.98 2-phenylpropanal 3590843.14 3584814.678 3243712.756 3081513.044 3290928.643 3182900.158 17939398.38 16047252.27 18598738.51 2617776.781 2679545.322 2829017.729 homovanillic acid 11442712.77 11512314.84 7661939.646 10627753.18 10195232.96 3391594.6 1633386.526 2139289.522 1548098.323 314759.7712 233108.4699 595811.4235 2-hexylfuran 4047738.398 3890697.525 3188026.351 4137323.597 3556098.887 2955503.565 15069804.97 13365369.19 15427090.14 542696.8997 606817.0009 556874.692 (r)-(+)-1,2-dithiolane-3-pentanoic acid 2061906.783 2382093.869 1814728.985 2048473.298 1913153.217 1904027.747 2045073.216 2006282.921 2372366.877 2498946.936 1922927.335 1716301.194 (e)-hexadec-9-enoic acid 1023876.246 703079.6122 1131871.784 988584.7783 1072385.812 984101.2537 638128.0053 1039991.489 709553.7926 867155.0839 1320738.311 707556.6737 [2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylpropanoate 24078073.51 24697004.14 22696702.4 23282251.49 23161222.7 22330454.84 24255640.66 23649641.6 23728831.09 25756757.5 25061407.22 25201720.41 all-cis-farnesyl acetate 0 55519.31606 130447.9641 281908.8545 576966.7427 1175042.505 394034.2398 448254.5161 430321.9596 670595.2178 626655.9153 561191.5215 pc(16:0/18:1(9z)) 2657873.959 2044246.817 524038.3411 814924.8881 730447.9653 319480.4559 1226940.745 0 1324621.959 1251247.219 233459.7112 2283377.065 methyl 2-[(2~{s},3~{r},4~{s},5~{s},6~{r})-3,4,5-trihydroxy-6-[[(2~{s},3~{r},4~{s},5~{r})-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate 4917525.294 5517228.082 4778081.968 2555718.829 3071987.017 2625338.955 12427706.48 11599904.35 12308291.51 693464.0063 642539.3958 690906.8268 xanthumin 690389.082 706824.9075 772634.865 706807.1176 641332.053 826227.7338 4011343.571 6866361.927 7904835.054 4234789.261 4447312.997 4483066.737 virol a 2060489.064 2099782.66 1835828.552 1835351.477 1822362.475 2103908.003 1763824.244 1669525.96 1831630.509 1531398.461 1415427.559 2977364.369 (3ar,5s,5as,9ar)-5,8-dimethyl-1-methylidene-4,5,5a,6,9,9a-hexahydro-3ah-azuleno[6,5-b]furan-2,7-dione 1696412.958 1655262.54 1462251.502 1391816.382 1425105.302 1420574.508 5617919.97 5252327.773 4901527.798 4328844.257 4903411.792 1492124.706 corynanthin 577899.8557 516230.0275 426247.5652 417710.6368 382449.5384 418378.0794 233252.3649 162715.4285 251699.8726 1381472.096 1292619.723 1389273.348 perillyl acetate 471884.2615 396984.4996 484114.8171 1052085.309 1059611.382 1135406.603 244841.2639 202034.3432 378120.3211 627741.8727 776355.2658 527668.988 2-methoxy-5-methyl-3-(2-methylbut-3-en-2-yl)chromen-4-one 257929.2987 248549.5461 269308.0818 275886.3947 206723.0884 274959.3116 272260.663 304583.0783 250348.0632 283873.0963 380990.255 372186.4602 feruloyltyramine 420302.0902 372064.1913 348071.8026 336122.7747 1417478.754 4172382.133 46662.72704 71660.68658 13581.55696 90290.45419 238101.7476 189102.2715 1,2-dihydroxyheptadec-16-en-4-yl acetate 1766343.477 1811671.597 2556322.27 7167709.178 4897545.151 7475722.369 18806930.62 23451025.35 24240216.02 3588152.383 4117692.621 4072684.569 camptothecin 308895.046 306604.1227 262442.4285 291752.644 220220.1896 283354.5805 311557.0392 370897.6799 314396.1022 276967.0502 275950.3249 262202.9464 fraxidin 16490.45763 73836.45279 97285.78111 3571.475131 71594.90349 52449.46377 167557.715 157155.6982 57250.81478 55385.5889 65040.30091 25251.06169 conessine 10560918.5 10054716.64 9756334.509 5188248.835 4592893.453 4997915.672 70007424.29 54319533.29 62902423.22 1132954.722 247433.3217 172277.9745 arteannuin b 96343258.98 99406336.85 85685278.89 95546622.56 94312021.89 91554970.61 9066432.673 7196176.194 9007634.018 6542844.189 5889602.676 6076364.381 5-o-methylvisammioside 1248352.964 5383097.817 149884.5688 1646634.421 1144521.405 82590.109 186237.3828 4715094.343 416406.6909 232691.1157 88672.59356 813905.1971 loganin 7511047.262 9840077.626 12110475.44 10737293.68 12840152.54 21725355.15 15303030.24 12936530.76 15638713.51 3196592.785 2637389.533 3044290.866 boldine 409533.6029 627015.1045 323372.7096 2619232.964 2475635.778 2507718.806 2823181.272 2344026.551 1734256.966 1136327.917 7087771.419 2950660.468 2-hydroxyacetophenone 1775039.442 1712306.17 1602832.913 1161956.433 1245347.513 1099279.587 751285.9555 644346.5222 900124.5877 278391.0206 528949.1082 590821.3269 ombuoside 25357561.71 24029024.77 16280575.84 25146295.34 20400290.16 6951096.198 1197784.972 614455.9243 773293.0399 51997.26341 91175.09491 0 scopolin 484177.6256 454763.2542 486021.8978 143335.5252 175891.021 122305.5355 88158.4365 60373.52702 100003.0356 220369.965 190938.7731 220911.0733 scropolioside d 1338924.884 1113339.996 739912.7814 403934.7598 652131.0293 130192.8393 2396840.919 2104830.876 1291509.42 52224.78293 56061.35796 59856.29712 7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2h-phenanthrene-1-carboxylic acid 3001665.24 3722634.886 2482537.849 3792621.734 2128079.928 3258816.822 1878446.874 3127108.175 3391913.134 2456508.354 2054679.55 7179549.41 7-hydroxy-4-methylcoumarin 0 0 0 176019.415 150248.4336 176445.0182 19862071.13 18110707.45 20481458.31 0 0 0 kikkanol b 2292020.533 5528286.571 2403194.552 1405985.483 1669356.185 1795901.426 1004003.148 1153859.443 892467.878 1769743.668 1814027.209 1671684.482 3-[(e)-2-(3-hydroxyphenyl)ethenyl]-5-methoxyphenol 7234.689068 0 56374.53932 7612.680528 46862.0371 7019.672344 0 0 0 0 0 0 (3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl) acetate 0 0 0 14469.00703 0 0 5763389.224 5021932.618 5760603.757 2146325.744 2002039.287 2491876.3 5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one 3889633.609 4096913.629 4310960.262 1281273.157 1000951.464 1236643.888 3076393.325 3092347.918 3149915.188 1090346.428 1132455.189 1350282.111 ethyl cinnamate 8076532.929 8478492.906 7594998.13 8845807.957 8079421.091 8620880.103 51282673.27 35789862.26 36603346.42 23325906.23 23492460.43 37078687.9 methyl orsellinate 64147143.24 61236753.59 46448868.03 20889638.51 20142798.97 4828379.038 267968.0075 297343.6956 285115.3686 8078793.371 9165829.975 8302089.764 (1~{s},2~{s},3~{e},7~{r},11~{e},13~{r})-2-hydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-5,15-dione 463409.7989 507066.8004 329622.5971 1252415.51 999659.2076 610223.5768 1879669.279 2019449.091 4203364.6 686623.0607 731370.0942 1781846.691 2''-o-feruloylorientin 13704635.89 14577071.29 11499898.72 6917965.384 7650887.246 6338354.89 1333095.909 1133489.834 1125999.682 962032.5861 1049314.004 867133.5375 [(1s)-5-hydroxy-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate 19212.63859 35497.4997 0 2635124.144 2237706.776 89701.61973 0 0 0 2138227.187 1859054.824 2052736.434 myricetin 3,7,3',4'-tetramethyl ether 3355626.949 3471805.433 3338040.136 1726963.724 1905379.276 1668893.24 220859.2685 293095.2096 233831.0524 136246.075 132396.9701 162687.5271 ginsenoyne c 396573.9575 416015.5667 518299.0312 793846.8657 968660.308 2394420.289 1265633.572 1282556.723 1413604.349 2087632.677 2100179.273 2142488.341 annosquamosin b 9738590.047 8412862.759 15654861.73 19206039.26 20748018.41 39089445.29 142131249.7 149002969.5 165164328 18607060.74 26755085.62 22429068.74 cularine 19578121.2 20272744.51 28234280.79 18093734.6 20457687.96 19060769.16 5316951.484 5166094.576 4923160.738 87141108.15 92983783.05 89282044.95 dehydrocorydalin 81662.53644 73198.71266 88684.15152 100388.8307 84563.98655 141238.8855 4698117.855 4102773.766 4508349.686 1612279.057 1600753.835 1782290.272 methyl palmitoleate 2072876.274 1094120.822 249489.5946 2300512.655 2259053.52 2287867.393 1364734.723 1832837.355 2419998.989 1558341.976 2621801.553 2497164.324 diferuloyl glycerol 2437525.092 2301631.881 2230667.916 2787280.578 2288909.389 606762.6771 98178.26787 67047.32136 63906.45383 9621.026125 5205.058405 0 dihydrojasmonic acid 554954.1981 577469.973 1086969.119 1491535.899 1892669.931 1590615.615 1050908.787 966727.8087 1026664.829 638287.9261 587891.4769 580184.7196 cytidine 2605031.984 2676676.116 2165860.402 1580030.122 1671653.794 1830803.737 1062037.198 1328607.407 1119229.876 1176598.645 1031569.558 1143650.004 6-methoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-2-one 963671.3394 871455.127 746221.1119 595717.5802 579435.8652 540542.9285 192026.392 123726.2435 162586.1504 27360.45817 25658.54331 24639.29165 l-tropic acid 3844924.275 3213748.457 1972238.465 4139304.112 1682560.352 1734148.755 1067774.138 1130323.722 426196.1367 667058.2029 949187.442 796094.5147 ubiquinone (q2) 350321.5741 117472.8385 457038.2799 318832.5272 500736.5297 1006170.289 853814.2562 744228.8619 1001455.788 565309.5223 978518.597 425925.0211 2-(3-hydroxy-5-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol 41276224.34 40767001.4 40760639.86 42882641.43 43505642.99 43002430.2 309598.9014 309800.1537 334320.2199 708849.7161 580694.7592 630596.4104 glutarate 1868454.193 1908277.641 2143286.517 1965159.365 2193953.106 2079313.316 1875260.229 2312053.888 2217454.499 1949304.728 2175683.375 2040766.915 tectorigenin 2320623.81 2425968.635 2312840.463 1212171.834 1215193.377 1183552.355 1328536.922 1098743.709 1273569.161 0 0 0 n-(gamma-glutamyl)ethanolamine 86521002.71 87008766.66 78611262.63 81198565.3 78711662.13 84167413.81 6714984.691 6176673.14 6561939.074 3920284.65 4239013.411 4082638.725 n-methylanthranilate 5584614.114 5601778.874 5365669.785 1680202.065 1698212.61 1571556.413 2265028.387 2352422.938 2527183.429 905314.1078 1619075.098 1506799.555 chamissonolide 4307324.272 4064332.469 3481653.043 4014797.276 3610157.38 4418873.035 2341947.417 1991859.452 2242380.607 1388108.908 1104068.713 1349313.233 curcumenone 127449898.3 128624189.5 111324150.4 72814822.86 73935035.03 89869605.8 12787936.85 11956287.24 13526709.63 11536604.46 18143951.69 11536599.27 uridine-5-monophosphate 3168116.705 2750440.328 2494192.323 2750553.829 2518863.762 2428178.926 2553139.133 2711104.458 3208544.906 3393324.908 2598429.43 2069190.369 2-oxo-nonadecanoic acid 82198421.66 78988593.06 69541793.73 59121206.31 73026836.24 51351926.83 32025057.67 34378999.75 24927808.88 16336476.61 20363336.84 17805417.85 glyasperin d 21069629.38 20266939.83 20064278.34 22013646.34 22448344.06 20804310.07 13069187.05 10723237.39 12055421.45 1344484.327 1380624.136 1384121.255 sterebin e 2252179.944 2205016.439 2555140.142 613679.7902 637585.5348 1226755.858 5025594.537 3688986.712 23889529.81 259226.0662 2767094.721 1747427.495 5,9-dimethyl-14-oxotetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid 287591.1842 200446.422 320860.5339 869353.7842 734329.9105 936904.4088 1295509.441 1104774.466 1216658.281 216029.3824 590390.909 559400.5118 trigoforin 83990476.71 84997821.86 19076335.05 18012852.84 17754780.34 85255302.54 121419281.5 119377710.7 128038729.3 114974163.8 115913681.9 119162269.4 sorbic acid 1456985.987 1902904.6 2122228.479 1931857.94 2011708.034 2270815.159 1747429.272 1673109.66 2835861.149 1285898.792 2091707.796 1714407.613 jodrellin a 1477710.635 928781.6723 1178965.18 3793295.458 4375401.802 6119179.381 21799336.81 19746552.72 21334256.67 5106606.308 4155697.288 4346233.66 oroxylin a 0 28051.98896 61833.75084 663811.9752 663392.2989 562016.3001 622727.4105 392421.4529 494346.971 0 0 0 1-hydroxyepiacorone 1098741.379 857978.6143 962707.7741 1275992.106 1391776.806 1490281.465 4225117.474 4067539.312 3716266.322 2721760.884 3776972.515 2879664.087 quinoline 10739627.38 10281362.92 5834280.532 1060217.699 936381.2272 1371098.304 2360210.262 2327112.494 2256663.837 910445.3193 1262952.661 997941.7731 10-hydroxyusambarensine 412539.8768 425428.6706 385018.9024 63157.99191 106829.3139 727565.0094 371044.5561 539812.0445 398274.3221 56846.37085 152617.1801 39772.16992 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one 505924.079 523061.4552 432359.4897 362573.6904 427349.7817 557393.0036 459066.6604 330491.3805 292220.6489 0 0 0 lappaconitine 508606.8889 942246.5662 158510.8622 403030.4664 156982.5205 116369.8481 185073.8446 748614.966 273425.5223 1875770.461 1096670.555 1598408.82 1-monopalmitin 535117.4686 681065.9897 522655.7274 91391.41522 109310.4443 71151.15008 1262005.154 922167.1807 997760.1525 130637.8014 297423.7406 293492.0884 heptanoic acid 2023970.201 2156160.117 2000773.98 1744995.832 1925171.854 1821725.559 1639817.777 2585213.852 3085486.078 796689.0513 923566.0386 985528.3078 strophanthidin 191280.5594 318357.2442 748861.8362 205093.0813 218610.8773 306856.971 151957.3522 78288.13384 147823.5345 0 0 0 geniposidic acid 4259062.578 4180337.488 2834075.605 1476701.941 1562513.893 2681382.164 10223578.78 9088287.311 10156622.19 0 0 0 licodione base + 3o, 2prenyl 5630846.023 5203941.348 5601117.163 5480155.943 5294431.03 5992084.278 234063.03 221378.0431 224841.6758 263127.6278 169201.5378 153368.4825 theanine 340139.5871 319351.873 333931.613 440345.9139 284988.2344 455385.478 323898.6237 403200.5466 303412.9481 353440.7606 377159.4282 468191.6864 parasorbic acid 13464083.37 13439359.27 11691169.21 4912295.033 7233589.917 15838715.99 11991563.87 9842425.802 10178550.15 13476388.93 11524147.61 11890216.61 [(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2s,3s,4r,5r)-4-hydroxy-3-[(e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 9469567.452 13459614.34 6309936.077 4158534.442 5180928.046 4217709.573 613502.7853 590674.3851 558036.2762 0 57903.69914 14286.94971 roquefortine c 0 0 0 0 0 0 1562046.102 1478789.981 1454257.144 73500.53694 73976.8569 61566.77414 4-oxo-5-phenylpentanoic acid 318847.216 365016.584 309947.9383 358311.2503 361279.2749 295428.5308 1639232.01 1768445.017 1434662.922 181024.97 234911.8224 184362.9448 l-arginine; ce10; odksfydxxfifqn-bypyzucnsa-n 648342649 634839660.8 609584712.1 473161.8398 645475.4604 1119649.55 124248882.6 120903509.9 142249828 47052433.94 41106734.49 39565661.95 isovitexin 7-o-beta-[6'''-o-(e)-p-feruloyl]glucoside 6176563.541 6593997.433 5746058.969 5117091.415 5472192.663 3776041.025 944841.2642 1191636.783 853535.0929 0 0 0 l-trans-5-hydroxy-2-piperidinecarboxylic acid 1425014.096 923911.9187 1158004.897 991500.8172 1193189.726 1162909.612 757557.3915 1068040.135 1327471.789 2875377.274 1233082.353 867295.3684 1',2'-dihydro-2',6-dihydroxyrotenone 329536.6296 386931.6794 407381.1034 506275.8794 430735.0636 507254.1168 265582.0087 278074.1997 346655.4028 289008.8848 350810.9451 382811.8723 dl-dihydrosphingosine 113284.2663 83812.26398 47273.67892 108857.0225 0 67755.10239 249960.9598 177747.8027 208661.6862 3494440.678 3615631.187 4067512.982 knightinol 183331.8588 149030.7088 46262.74914 165815.2602 154327.1739 200824.8236 8530992.086 7591900.943 7469742.968 0 0 0 (1~{r},3~{r},4~{r},4~{a}~{s},5'~{s},8~{a}~{r})-5'-(furan-3-yl)-1-hydroxy-8,8~{a}-bis(hydroxymethyl)-3-methylspiro[1,2,3,4~{a},5,6-hexahydronaphthalene-4,3'-oxolane]-2'-one 426030.4591 374659.1111 296947.4985 321024.1819 235021.1604 315427.9587 16130159.18 10989712.16 14194899.93 26655.47625 92936.1311 91828.87031 quercetin-3-o-sophoroside 1019826.459 1016873.3 872603.109 776783.5763 794755.5275 557456.8083 50934.43654 15172.48574 26201.84726 706490.5672 612297.1338 596247.4123 cyanidin-3,5-di-o-glucoside chloride 778697.5634 834033.037 602173.7318 504642.533 632253.916 466376.4416 152610.2566 90126.40808 147205.1081 0 0 0 tremetone 12491425.21 12331805.25 11235908.8 12340818.13 12531244.36 12970995.4 50333381.86 52012749.38 52649984.63 33674014.93 35764301.7 35540900.34 4-[2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-hydroxypropyl]-2-methoxyphenol 650716.1834 671232.3311 579383.5612 535959.7082 633905.7954 610238.1569 802477.3162 612901.8609 542533.4813 1764280.278 1451191.265 1537881.58 suspensolide f 0 0 0 0 0 0 5604.884403 20814.92427 3839.826193 1811354.025 1672185.202 1731346.824 atalaphylline 66468.72753 51883.7518 50656.91288 1949654.494 1758231.95 1704867.61 5212157.658 4110006.711 4938760.177 89888.22063 104226.0731 83549.77525 sinapoylhexoside (isomer of 955) 2984790.637 6141354.931 2373415.943 4766380.559 4550481.352 4699093.378 1665740.794 1486130.945 1571480.354 9241997.428 7730184.239 7960888.869 3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane 795471.8708 620397.1141 816547.5416 677355.2855 768462.7076 969417.8981 2354216.348 2117373.218 2547700.08 903795.1279 1099687.636 1053394.118 phaseollidin 7023978.222 6544085.085 6882989.192 8297900.399 9319050.042 7489199.955 2498498.184 4806111.204 2948692.459 746218.3521 1706679.469 798189.8744 (+)-mayurone 283049.4869 240477.9751 186955.9024 228741.8751 261548.2383 184085.291 196674.0743 738566.0699 850086.5388 569578.1297 559834.0406 548612.8608 (2r)-3-(3,4-dihydroxyphenyl)-1-[2,4-dihydroxy-3-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxypropan-1-one 927230.4729 1468842.305 611598.9932 765520.2545 1026818.438 2015828.57 8443449.604 2886170.203 7053154.331 237299.1649 87273.77251 266762.7139 picein 29069778.28 28100556.26 21168525.69 8933997.756 8391273.042 3460709.035 1095600.029 1261935.481 1257923.651 5664468.297 5646444.51 5843588.435 albiflorin 401545.1443 433317.3617 335939.2542 66670.44264 96928.99231 40349.08306 426316.1638 374325.1843 381030.0982 223141.2785 169911.6399 200499.0935 norephedrine 455913.6966 492634.7626 1243933.272 144420.2824 361355.4179 962098.908 610294.8216 944694.1382 148265.1031 265999.6566 1676391.208 1006374.404 4-methylene-l-glutamate 1731706.647 1828901.414 1137609.726 1516557.05 1017016.649 1793382.854 1988167.72 1132440.572 1189488.275 1221683.939 1199817.16 1058406.378 (s,s)-asperphenamate 26685.99781 596916.95 0 0 0 0 0 577331.9366 4139.701183 17971030.75 23440413.24 23895654.2 6,10-dimethyl-5(e),9-undecadien-2-one 0 0 0 0 0 0 7396662.344 6592661.18 7491599.412 0 0 0 levulinic acid 10150638.6 4328248.115 3157232.172 6880367.256 4017956.477 4248903.937 3671537.634 4069065.577 3960100.284 6671103.507 6738250.232 6373654.412 ovatifolin 1027178.92 337752.8195 1566116.307 1362752.671 1410129.377 1759337.03 50728667.29 10657614.05 11942615.5 6256774.734 6278607.538 6343645.284 vulgarone b 944808.2804 788379.1591 756379.7461 676838.7147 573844.5289 852727.7368 38903.02486 0 328044.9624 59455.75625 31798.19461 132286.9172 oleuropein 634300.6981 476319.8052 199028.4267 1725225.924 369368.7501 191705.0458 604735.4663 564900.2489 529490.4278 303253.1907 126048.9141 158162.6806 2-methylene-4-oxo-pentanedioic acid 0 0 54915.44805 503575.8143 541460.0727 104870.3247 470373.5256 540215.3022 727729.6535 20717.04091 19562.35274 0 paeonoside 787242.7821 750790.8187 626825.5237 652790.3506 662363.7315 693945.4127 3696198.894 3170285.874 3434454.342 1603898.895 1409886.942 1461357.525 flavone base + 4o, 1prenyl 28745341.17 28204178.41 22098320.03 94916640.02 120948917.7 120557417 30193579.92 29211064.5 23723752.31 3974997.615 3664872.438 3629616.835 osajin 5523333.915 5487018.79 4751948.829 5511635.42 6242855.456 6143827.903 25577738.99 26033244 24519018.52 298773.4662 157841.7952 240728.8317 9z,12z-octadecadienal 15900418.62 17569459.28 11776742.01 9707110.603 11481121.68 10388350.11 10533747.41 13402158.84 13093558.91 12906049.51 17140672.68 15707867.33 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0^{2,7}.0^{14,18}]nonadeca-1(19),2,4,6,12,14(18)-hexaene 125050.7708 149080.0426 148899.7664 150977.6884 167088.8178 109537.7703 54008.02908 55841.22753 77246.37491 1073105.058 901845.4246 946833.2599 2-piperidone 1119998.239 2151428.075 3072595.163 1836950.456 1797737.37 2127845.506 1889515.962 1972841.673 1438948.039 1194008.926 1555705.752 1350478.333 karwinaphthol b 117272867.8 116859266.5 91701972.29 84809856.52 84606037.27 116899268.9 408340457.3 401324695 428518645.3 392949074.4 392633022.1 392848778.6 4-hydroxycyclohexanecarboxylic acid 507628.2543 596838.3025 665014.8995 509173.1632 679997.5254 560245.0728 386025.3793 422626.2256 503983.4783 313855.7662 497855.8858 433094.414 [(2s,3r,4r,5r,6s)-2-[[(1as,1bs,2s,5ar,6s,6as)-1a-(hydroxymethyl)-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bh-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-4,5-dihydroxy-6-methyloxan-3-yl] (e)-3-phenylprop-2-enoate 67681283.68 68417596.86 57496223.78 67906300.75 48382627.42 31024977.35 876610.4376 877726.625 630229.5151 4785233.701 4122261.933 4099076.667 (3,8~{a}-dimethyl-5-methylidene-2-oxo-4~{a},6,7,8,9,9~{a}-hexahydro-4~{h}-benzo[f][1]benzofuran-8-yl) acetate 5364407.746 2425267.113 3692496.398 5944018.079 5151723.765 916274.0945 125766899.6 113642704.2 122312766.8 1118600.532 1866215.874 0 methyl (2~{s},3~{r},4~{s})-3-ethenyl-4-[(~{e})-3-[(2~{s},3~{r},4~{r})-3-ethenyl-5-methoxycarbonyl-2-[(2~{s},3~{r},4~{s},5~{s},6~{r})-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2~{h}-pyran-4-yl]-4-oxobut-2-enyl]-2-[(2~{s},3~{r},4~{s},5~{s},6~{r})-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2~{h}-pyran-5-carboxylate 952780.6488 981422.4002 906195.7156 268931.5656 46836.93731 185467.9455 37761.41753 16210.05678 0 102458.7378 144542.1983 123031.3944 8-acetoxy-4'-methoxypinoresinol 4-glucoside 2981811.153 2800886.73 2129757.518 1838189.08 2020431.175 3053786.724 2937445.402 2167118.15 1453737.465 44799.54171 0 0 isoferulic acid 455838.1331 408354.6452 414278.0279 517796.3581 510695.6945 447937.1158 502982.4278 745885.3573 499229.6753 173480.3479 367100.3691 564181.0402 (e)-squamosamide 105964.8448 166802.7534 63284.94438 128579.3884 104442.6885 50556.31594 91828.06317 273277.5069 88484.20927 295181.1384 467097.3582 430559.5554 [(1s,3ar,5r,5ar,8ar,9s,9ar)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1h-azuleno[6,5-b]furan-9-yl] 2-methylpropanoate 0 0 0 175258.8161 139979.7953 0 4357470.465 3933899.727 4532106.579 12973003.66 14138781.79 13802018.69 (2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[4-prop-2-enyl-2-[(2~{s},3~{r},4~{s},5~{s},6~{r})-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol 812155.5777 895950.8459 833830.115 3064751.914 2680320.436 2607125.973 1590083.756 1236717.535 1357354.393 13460788.23 10250855.75 10278960.21 daidzin 290516.9997 240404.2802 188756.6057 1631667.361 1766101.805 174613.3656 436868.3523 260685.0758 432184.8617 174818.7446 145172.8017 209265.3576 isorhamnetin 3-(3'''-ferulylrobinobioside) 845776.045 848862.9262 719726.653 70158.89699 62720.69895 101730.2458 214057.2413 278977.7985 223763.478 0 0 0 3,5,6,7,8,3',4'-heptamethoxyflavone 51341.45702 0 82658.75984 0 15866.87195 0 0 0 0 850669.6988 758312.2484 767568.8088 quercetin 3-o-(6-o-malonyl-beta-d-glucoside) 5465279.697 5776473.561 5091164.574 2807458.186 3107355.474 2427687.682 184328.2177 121065.9138 69697.3059 911283.3729 782777.1565 755842.6648 (3s,4r,4as)-3-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-ethenyl-4,4a,5,6-tetrahydro-3h-pyrano[3,4-c]pyran-8-one 425799.6014 1996317.684 743364.1951 2049443.881 603408.9769 1354512.592 2877768.077 8566306.651 3011033.288 209637.5934 167528.0132 219760.1506 methyl 2-[(1~{s},3~{s},7~{r},8~{r},9~{r},12~{s},13~{s})-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0^{1,12}.0^{3,8}]heptadecan-7-yl]acetate 66866973.83 61666458.7 55392017.39 43326610.37 39572246.54 28475418.12 22015588.45 15935657.39 21923219.38 913701.4611 2356965.408 3182123.25 phthalic acid 1513362.856 1368020.966 1182125.066 557242.3672 558047.2361 351269.8166 447771.3464 399629.5835 532619.6657 531795.7384 345506.4681 446648.2702 nupharidine 5881637.336 5825339.601 5373068.623 2501664.335 2531886.486 2874321.062 1075442.611 632133.6924 1268763.676 905803.9483 738043.8619 752306.5152 [(2~{r},3~{r},4~{s},5~{r},6~{r})-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2~{s},3~{r},4~{r},5~{r},6~{s})-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (~{e})-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 11473033.2 6462922.614 5406047.863 4861567.398 4224749.925 2572729.836 186531.6041 0 210706.3253 0 0 0 4-o-caffeoyl-3-o-feruloylquinic acid 913482.2654 877489.2688 878434.7326 1761792.7 2182094.714 1912313.799 1073863.113 933182.554 696767.6714 619072.68 640613.9648 585249.0695 (3xi,6xi)-cyclo(alanylvalyl) 18350475.5 21032374.42 19850342.12 20044095.77 17955583.61 20236292.44 69939862.37 77295808.68 87623799.7 63488185.96 65732679.1 63157501.1 [(1as,1bs,2s,5ar,6s,6as)-6-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bh-oxireno[5,6]cyclopenta[1,3-c]pyran-1a-yl]methyl (e)-3-phenylprop-2-enoate 1668719.199 1805122.375 1253978.149 850260.2561 910518.4418 578157.4736 0 0 0 199604.6191 261899.4016 288887.6602 aminoadipic acid 646847.6959 489978.5307 438886.8041 354583.8727 891855.6678 675664.2397 364018.8702 524186.4541 494683.5652 359860.0202 502081.5779 363708.9133 panaxacol 20978758.93 20908728.8 17110434.13 17583805.49 17201494.99 15189175.83 40191033.75 35456164.78 39070760.18 11703900.7 11909635.2 12183422.65 fumaric acid (not validated) 49416222.6 51502942.25 51632427.64 45739488.36 44074687.85 42377742.92 58604002.53 54252940.16 60694435 76029043.33 79434216.64 78799533.35 (2~{r},3~{r},4~{s},5~{s},6~{r})-2-[[(2~{r},3~{r},4~{s})-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2182094.988 1875734.453 2343484.256 1902360.869 1961816.555 2121078.236 5545377.442 4935153.488 6038279.313 783612.1017 643504.2228 820918.6301 isosakuranetin 2821134.394 2973591.104 2610800.732 7358156.969 7263113.872 5267427.313 269030.3497 183381.2935 392739.5124 2114229.857 1750328.31 1937475.669 cubebinone 0 0 0 1181599.893 978724.7799 837043.8506 3245.689525 3144.87662 0 8261.618936 0 5074.346051 licoricidin 39908.17686 114976.7233 138977.839 152843.6645 180584.7015 122892.0709 121609.5569 148412.4596 134752.8761 125518.785 165765.161 133240.4646 barbaloin 3124.796369 5896.555709 6257.505119 10304.92411 7814.07907 10002.47797 31467.35767 27500.92323 36664.74954 336398.1726 338414.6091 299327.6913 capillartemisin a 23486379.19 22239534.28 19112360.58 19614045.34 17233224.8 19259166.26 2586034.477 2039476.883 2408961.797 5787755.7 4607754.93 5144164.579 [14-hydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2~{h}-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate 335573.4462 199826.1354 468985.2258 268696.8189 316409.4503 213986.7167 357607.7279 431164.362 433879.8819 0 0 4868.959818 mls001332469-01!d-sphingosine123-78-4 2970625.666 1276581.512 1918570.269 1934273.739 1689950.24 1879135.251 1213843.227 862928.4773 1440863.854 1132086.748 936638.5644 1079867.424 kobusone 7236216.821 5915229.706 8871959.46 5821544.779 4999465.543 6582260.309 9615492.093 10863564.21 12091665.68 8269259.191 10773035.43 9131669.985 gibberellin a9 32612312.96 30980149.15 27558606.46 28316240.29 28982705.21 29109410.88 156253654.8 141158043 156582163.7 20393764.38 20245543.24 22005737.41 3,4-dihydroxy-l-phenylalanine 185518.5787 178217.2486 201641.8815 253064.789 262027.3857 295579.8291 1332704.52 1294670.82 1292912.088 237927.6291 283142.1474 246322.227 aubergenone 5621364.357 5611094.025 5748234.334 4086651.247 4500589.694 5894567.084 1316883.67 1050819.694 1223527.619 970906.8168 926228.7676 879358.6361 oxacyclohexadecan-2-one 147792.5518 274586.1478 525037.6493 419212.7537 1176269.943 2983776.78 959911.68 1036940.835 1081969.169 1075648.997 653518.2025 799129.5358 lotusine 5582615.069 36935065.5 5175287.469 7766196.785 4098836.37 2065184.221 3869291.797 36229745.51 3680825.504 735611760.7 730748638.7 717815835.7 magnocurarine 848464.1718 4264351.976 694952.3266 429811.8938 473456.6061 589280.3328 1247706.717 4090718.337 1473875.064 1774102122 1789462083 1708898940 nepetin-7-glucoside 66942.97638 596834.7857 42406.79668 627885.1306 347734.6907 1845594.217 1979112.352 1819799.073 2455662.308 1047179.355 771037.6983 784240.7786 sarcosine; aif; ce10; corrdec 116530.0174 152391.403 112486.7267 169128.0723 156819.0897 126690.7114 87772.40604 136530.2661 178730.6901 167161.0672 113543.0827 92575.08767 sesamolin 84766.52605 68886.31943 93729.37619 27280.04005 25717.88426 51948.67475 0 0 0 0 0 0 isokurarinone 19363.78875 89691.0321 3838.770532 114276.4887 167591.8695 91529.83194 0 27369.61572 0 126180.0795 185048.1916 146592.113 tinnevellin glucoside 147644.4597 165645.0551 138200.4808 43890.40289 65839.42756 68677.12436 39402.37946 32524.91659 18371.80633 7213.90211 18006.17757 6999.502879 genistin 117144.9157 111216.1087 157125.3584 25171.43568 102261.6462 11045.53051 0 0 117190.2086 565555.988 596360.7568 544894.0324 4-hydroxycoumarin 10413259.31 9306156.951 8313575.003 16458761.97 16538727.16 10285879.8 4482655.525 4223641.191 3288416.328 2983134.964 2398267.311 2311943.089 1,6-o,o-diacetylbritannilactone 100908.0771 116523.3996 28878.76074 46646.97346 90630.53371 85763.95913 6319702.965 6052216.05 5784269.392 0 0 0 1-(4-methoxyphenyl)ethanone 148652.0272 149865.5601 161608.7775 144910.7254 146024.9854 187348.1969 284285.0649 223067.8984 284379.9966 172234.2463 169985.6566 168247.1066 16-hexadecanolide 1761289.316 1648255.997 2521912.435 2084762.001 4508427.501 1712480.935 1866277.273 934709.5305 1927746.229 1591566.604 1226877.486 1888166.723 2-acetylpyridine 4618140.029 2543466.242 1297844.355 1024016.729 1703684.505 5167674.342 2261762.311 2098171.772 1478011.396 1556805.86 1073063.729 1383868.625 4-hydroxybenzoylcholine 9768566.332 11665347.34 9620666.515 9951004.011 10260545.86 10751170.97 11659522.06 9719831.167 4160696.306 11063038.31 4234918.883 9840398.563 11(13)-dehydroivaxillin 6497183.353 5933493.688 5002915.424 5528810.981 5457244.108 6813375.274 6508782.114 6014365.005 6630000.849 5878226.002 6084018.467 5945139.002 alpha-santonin 18727338.99 20040819.32 16366799.66 18505710.65 18293316.65 9739381.733 17782608.58 16337562.88 18179368.46 21218392.27 15535719.78 15683026.85 carabrone 4751513.556 2503715.489 5233553.332 3404477.435 3731590.764 2783607.39 25350079.03 23884954.54 27539551.46 6524625.68 6416151.337 6698518.254 bakuchiol 118269.5377 74464.31575 400561.6006 253711.4406 243310.6719 1044881.308 329424.8272 256689.4214 237748.0438 308022.9971 247485.5464 294158.4742 atractylenolide iii 4384705.015 3844283.099 3754522.533 3548498.782 3349526.279 4060880.693 36064011.72 35967219.59 37997613.45 4620500.804 4772603.473 4644991.562 terephthalic acid 46498.77367 774181.643 466069.0116 80809.20297 329228.5685 446284.9204 885212.4812 1005963.787 202724.0669 47035.0578 102369.9513 84827.3379 stearic acid 74077492.3 91026511.75 125573658.5 99774007.62 130009932.2 116312966 74940244.02 107898569 81473397.53 82638591.05 92369211.59 82514918.39 4-methoxycinnamic acid 638087.1756 423762.2943 731525.6656 788783.8126 690123.6984 888288.6471 877922.2663 984185.6775 1061347.189 315200.4648 297974.7166 318920.3967 3-methyl-2-oxobutanoate 3767900.776 3283226.546 4110109.599 3866020.401 3750304.078 3730708.315 3375917.41 3783473.138 3625680.956 3426479.115 4054628.041 4358867.21 2-hydroxyphenylacetic acid 2499943.208 2459142.796 2672465.224 2499725.65 2652487.978 2780396.228 2014334.308 2176502.879 2061175.518 1607242.166 1959293.959 1621097.654 2-hydroxybenzaldehyde 9751867.444 6927204.176 5677972.951 5972198.319 7034954.088 5520788.835 6975331.997 8209012.08 8023301.508 6425690.677 5838683.484 6079049.723 gramine 912316.6353 726048.2911 527464.689 0 0 0 0 0 0 37340.65305 0 0 pipecolate 15235905.31 8704774.358 2205772.076 5511822.361 4656205.68 5760039.558 6396327.938 5760884.116 5795643.828 5448706.749 5855768.427 4725066.008 orsellinic acid, ethyl ester 1020371.943 2355318.929 2763452.789 2617783.649 2652934.14 3861939.321 653697.4632 3418103.485 2105500.826 2602183.057 3676432.8 2462619.029 (-)-glyceollin i 1501403.112 1444889.549 1338245.203 333654.7416 383586.5284 390299.4871 152933.4539 181288.7774 91235.14956 0 0 0 alpha-irone 710039.102 794994.9627 653709.192 621237.5323 495215.6245 579730.87 0 0 0 237605.8931 176100.5832 190877.9209 montanol 20419178.77 19008962.42 15642225.92 9891881.77 9608408.659 13490627.05 34473089.95 36666681.28 34114040.97 8166452.291 7561741.734 7141553.414 embinin 560274.9647 570113.9682 1113731.872 0 449786.9326 804919.8225 48102.78497 0 0 24945.04316 32680.60296 59232.66836 phloroglucinol 28141914.13 25773156.21 40809945 37245130.94 28859156.56 36265373.69 29157527.5 35343821.76 62864225.22 21006677.67 62385835.96 27060011.63 [5-ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] 3,4-dihydroxy-2-methylidenebutanoate 0 0 0 72496.09504 93141.80935 71301.68369 71057.08572 45739.83962 72405.22261 4724023.93 3959071.84 3928840.434 succinic anhydride 2637767.209 1933865.653 2790278.452 2446176.406 2324010.318 3696172.533 2371844.334 2550253.436 2182351.934 2409110.35 2839808.643 2160723.445 (10e,15z)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid 493035.9972 486365.8086 935994.7283 2219490.736 2843947.096 9500990.04 839648.7481 819696.2758 993566.3139 1131616.421 1137372.272 1010662.23 tricin 2002667.065 1989175.339 1877719.682 943673.5903 963385.7977 874338.4381 2940650.019 2457716.395 2779133.333 0 0 0 d-phenyllactic acid 13074369.08 11940619.59 6751387.659 3273050.247 2967781.142 1364086.489 438871.0483 1224412.11 1114815.385 8105020.655 7451931.139 7071801.461 coniferyl aldehyde 1130465.956 941398.4788 1817310.637 1266804.118 2063416.421 4616428.36 2148372.534 2118156.648 2667073.002 411849.2125 551102.2659 215292.9021 ginkgolide b 0 0 0 0 0 0 121932.0591 106008.7193 100335.9778 0 0 0 isonicotinic acid 7344810.106 7461482.762 2757939.058 5569642.781 12621525.05 10158101.63 7524626.969 3253856.605 7461713.677 8520988.208 3013622.231 2950458.472 (3s)-3-hydroxycyclocitral 683849.8861 621394.1204 588893.8593 462518.1017 427492.025 480262.4362 847732.9487 800351.2774 759791.2758 397752.4853 506834.0538 509272.9686 artemoin a 275422.0636 309504.674 297135.3329 422185.6691 346122.3181 400053.799 400497.4156 559927.9671 217005.5775 525769.7121 322834.4798 292123.0064 picolinic acid 6768634.611 6307180.919 7639472.595 7696849.4 13194916.07 6807472.71 5685706.192 10722099.27 11148237.64 8692806.386 12740091.05 9614974.168 hexamethylquercetagetin 50717390.09 51898274.93 47888034.95 47224585.24 47501697.19 41223704.68 41671170.67 35362166.72 44125151.58 40218901.6 37968110.23 38183945.19 3',5'-dimethoxy-4'-hydroxyacetophenone 964504.3441 742362.0908 2486090.422 5010304.547 1537734.574 4256489.894 2123262.926 2484614.532 2057605.159 1087314.952 2477307.81 1910918.741 7-methylrosmanol 172870.2751 192229.5202 79605.92296 160911.2385 174550.8689 129385.3299 1776510.833 1665167.131 1975840.351 179408.0468 137721.9996 163922.2204 gardneramine 535324.0805 289266.7314 449907.5313 299743.6717 412058.8793 466009.8464 1916656.227 1526052.832 1898116.054 295428.4196 389056.4119 266888.1634 dibutylphthalate 619096.7216 598359.9573 510650.2023 552754.0067 538732.6012 598098.5496 1517661.923 598544.2803 609780.2329 563584.8682 563566.832 632366.9132 (3r)-3-(3,4-dimethoxyphenyl)-8-hydroxy-3,4-dihydroisochromen-1-one 124694360.5 131569052.2 131111627.7 133155132.2 142997922.5 135400602.5 1146413.478 1090665.892 1122405.34 2334462.012 2204381.852 2192630.235 7-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one 26768144.94 27075815.49 22979528.71 15154667.47 15332714.33 14411985.53 2244062.562 2175236.084 2112953.37 53442.71357 46921.62876 54795.70536 phlorhizin 736748.2853 396150.1855 408200.8986 737803.4953 748942.3442 249580.7673 0 0 0 40775.37126 33966.2441 0 (2~{r},3~{s},4~{s},5~{r},6~{r})-2-[[(2~{r},3~{r},4~{r})-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-phenylmethoxyoxane-3,4,5-triol 1282192.255 1281775.596 1328354.015 490764.1493 681023.2039 1009555.604 5984468.018 3172997.757 3557636.344 106864.0563 10641.36556 238280.4492 phosphocholine 315786.0912 425676.4161 250710.2809 110214.7152 129217.4539 137435.641 271401.0807 283169.6209 219625.4699 1029292.69 1284277.602 1045969.537 crithmumdiol 399334.1299 737210.9422 678853.2247 397541.4023 613899.7479 2115809.636 379758.9211 480710.38 589390.602 1799339.885 1642174.056 1301170.419 (2e,6e)-3,7,11-trimethyl-2,6,10-dodecatrien-1-ol 735831.6127 856015.4802 2396055.816 1777884.638 2308069.45 6574236.48 337933.3423 2807090.313 2099785.668 11808464.8 12533526.48 12897983.05 fa 18:2+1o 1397213.256 958062.0881 814572.3871 881161.2785 981657.6139 1355005.019 931712.8559 814948.3805 909184.2892 894417.0103 881375.9664 836048.2399 tetrahydrocolumbamine 753100930.5 761398176.7 599027700.4 336057265.8 392428203.2 387276967.3 107591333.7 94936584.37 101234397.4 942541849.3 992958261.1 991780276.3 1-o-trans-cinnamoyl-beta-d-glucopyranose 249641.6702 165012.7361 154543.3361 84930.01634 139104.872 47419.00772 7843.920166 11011.20299 3365.111966 100188.362 98944.26656 57459.06802 isoguvacine 2492654.46 2173972.476 1549680.56 1484685.036 2601215.698 1957609.36 2309388.878 2396049.961 4380054.323 2286003.968 1103486.904 3909938.06 glucose 894111.707 873441.8441 1103003.038 1284986.787 1440109.305 1247895.057 2111524.608 2001837.23 2146281.088 916628.0543 1425225.624 1023612.165 [(2r,3s,4s,5r,6r)-6-[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 4302330 4109998.867 2301705.05 1828354.26 1532547.165 2308721.37 895973.2794 656393.3373 575041.4166 1045900.885 885613.7286 892087.8435 flavone base + 3o, c-hex-coumaroylhex 4025939.202 4169015.507 3631496.98 2300470.058 2269706.166 2157907.151 464394.1092 463055.2064 389834.162 0 0 0 3-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-methylpyran-4-one 435928.5145 407209.1318 475605.1612 656507.8733 666003.262 648287.3934 340590.5027 307908.4259 322905.3232 32722.38633 6371.651006 35497.1521 limonin 429938.1789 422051.8639 52871.86273 363823.1209 0 250674.2185 126685.2459 283918.9465 122786.4274 429368.644 293736.8768 407115.7475 o-methylarmepavine 714567.6598 858950.5768 120640.3999 1640149.723 1577085.889 1285071.999 843282.2558 922030.9582 933228.2317 11294970.49 11501937.42 11170532.72 7-methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)chromen-2-one 302047.4965 306908.6465 255674.2681 340687.6061 345171.4547 207720.7909 404768.7135 377254.5141 389921.037 215022.4321 143514.9966 104009.0784 acetylcorynoline 834401.6289 842578.2942 969556.6853 707083.2887 742516.1654 805132.9375 7642409.034 7259619.346 7777209.633 1409893.419 1302350.715 1432740.59 benzoic acid + 1o, 1meo, o-hex 440490.9259 379537.4936 353653.0292 392785.2821 37866.62814 337838.3407 1061130.62 857434.6049 701493.5629 3080636.298 2694387.01 2062013.522 xanthosine 21247696.29 24010129.41 39534527.05 31218945.31 41910702.14 32278231.5 20583457.16 28650372.26 20514203.2 21955985.14 32676853.94 25406412.51 hexose + c11h12o4 54763.80535 78469.69573 47703.04549 167611.1491 98137.91407 143733.1568 1557947.921 1690589.554 826636.3546 19766.21124 52199.20943 85526.85767 meso-erythritol 6393149.816 6343241.781 17508409.33 21630734.2 10045314 24166488.48 5895440.238 6687416.525 17355531.56 18396263.33 45978330.96 4349144.03 emodin-8-beta-d-glucoside 859936.6257 464481.5128 126278.0432 0 0 0 0 0 0 463588.8122 144452.0744 527436.8444 (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol 1381184.502 2132331.63 876022.1646 1233877.319 1059039.698 979175.3587 1100829.59 1764136.879 1195155.568 4093429.082 3477922.1 3921130.555 gluconolactone 6700896.936 6779950.746 6242778.428 17052055.04 17668222.69 19361810.63 12735468.44 12859190.75 12209390.1 5889900.308 5903788.298 5757438.497 magnoflorine 9108931.089 10223788.72 8453260.563 6102781.718 5952083.654 5581709.062 2122535.444 3308936.123 2140780.503 12090539.35 14742460.86 14893951.53 (2s)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 2-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranoside 87992.06417 12272.69791 200364.5816 135361.5013 105455.7701 596883.6124 1390817.984 1060697.91 1110619.566 79771.55528 28709.65779 72389.64523 palmitic acid 2156727728 2009571637 2492056430 2868430870 2233947772 2185970764 2331680971 2580014588 2629841430 2599631607 2683114573 2696408329 6-[4-hydroxy-2-methyl-6-[(2~{s},3~{r},4~{s},5~{s},6~{r})-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one 23104849.18 33349047.94 25459147.87 30820749.14 27304645.45 10732224.02 590397.1457 582612.1032 360638.3292 0 8165.87837 0 3-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenal 25506025.9 25888922.6 25375572.98 26479729.05 26840268.66 27027421.57 139980871.8 114987693.4 115566683.3 69629076.62 72720103 70403409.78 5-methylcytosine hydrocloride 3961998.666 6145531.171 5662954.464 1310939.246 3390441.754 3570793.108 14192460.45 9551882.545 3328366.789 8634565.62 5465718.082 2717816.59 gibberellic acid 147875.0627 152813.9097 109234.3864 9790044.523 9622140.353 7003766.505 634732.592 561399.4992 543918.1246 33564.24267 87396.59843 126609.6447 umbelliferone 317069575.3 309949099.8 231044390 181407957.1 175528456.6 138651596.3 100580640.5 95257368.87 66319582.51 50305901.41 39618801.54 37634118.54 [(3~{a}~{s},4~{s},5~{r},6~{r},8~{z},10~{r},11~{a}~{r})-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3~{a},4,5,10,11,11~{a}-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate 33228.45241 30180.68042 41374.93315 57550.40259 38820.07371 54077.04347 4387258.157 3483460.559 4275516.451 1204210.701 1092698.85 1103798.772 feruloyl quinic acid (isomer of 887, 888) 66073.31226 63162.90713 57556.43108 71388.72322 64132.93015 56431.78329 201526.5436 181592.1709 217882.2577 124013.8424 100404.323 117459.1794 colneleic acid 461008.3388 758546.0523 951604.6916 1185195.069 682484.7667 566902.7327 2719900.079 2327642.171 2751684.568 1658779.55 1990020.142 1765896.141 (2e)-3,7-dimethyl-2,6-octadienyl acetate 1408881.593 1544035.516 1767500.815 2027289.187 2163506.776 2380959.926 2010117.07 1851459.998 2114482.858 1879384.128 1785304.703 1808929.246 blumenol c o-[apiosyl-(1->6)-glucoside] 1868906.635 1706010.708 1669704.44 436105.4737 369573.3613 274724.239 0 0 0 24811.33211 22906.85368 0 robustic acid 2137939.544 2159014.359 1941464.165 2982034.822 2894940.772 3546839.948 747678.0308 683884.6531 713511.1009 23525332.27 22754944.8 22919937.67 ethyl 3-hydroxybutyrate 163052.6777 2389444.516 2415488.91 1935590.838 2079313.914 1702106.062 403545.7712 429345.4447 417512.1972 15472805.74 15177200.2 15121890.12 dalpaniculin 445598.0252 189638.7383 314488.6455 1145790.218 276569.2061 649883.3537 659401.3699 257535.7353 956263.8478 47323.32078 155472.8293 137182.8021 5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-((((2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)methyl)tetrahydro-2h-pyran-2-yl)oxy)-4h-chrome n-4-one 2235431.777 2772166.876 1984830.176 2666875.063 2467569.124 782162.9826 177923.3282 204280.0873 107608.9407 372570.0749 0 328912.4675 feruloyl hexoside (isomer of 847) 376993.7106 357023.7495 293360.1131 206720.3015 239839.218 97762.62367 29038.08282 15121.5792 21984.02816 486668.3971 491408.4753 504318.6663 ginkgolic acid c13-0 1418090.37 7279822.579 2972312.266 1015263.265 1228745.617 1842133.326 13801718.73 9669884.758 13870449.04 39611714.21 42101648.8 41051410.84 (1r,4r,6r,10s)-4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.0~4,6~]dodecane 260367.0458 254595.7177 226368.0283 219962.6511 230437.6105 190121.4854 457988.3745 307986.0106 316855.0152 123546.8395 100561.7939 194148.0671 sesamolinol 4'-o-b-d-glucosyl (1->6)-o-b-d-glucoside 0 0 0 0 0 0 0 0 0 2181268.131 2080631.341 2306226.621 santonin 0 0 8939.667539 21326.31998 34496.24086 21606.4926 74174.96817 76211.78906 38233.29918 1224617.146 1325082.07 1386077.252 piperic acid 339615.4413 317436.6939 301797.7737 220565.6839 246566.0792 196817.974 147012.338 202902.7539 124595.5292 70692.72509 338128.1786 128795.7755 rescinnamine 36027817.71 41324332.05 33974282.83 67411281.67 57199927.07 18206868.52 20300117.64 1881473.515 2034944.965 4814266.329 5297150.997 4789049.209 3,12-dihydroxy-4,6~{a},6~{b},11,12,14~{b}-hexamethyl-1,2,3,4~{a},5,6,7,8,9,10,11,12~{a},14,14~{a}-tetradecahydropicene-4,8~{a}-dicarboxylic acid 4258.362442 81707.62438 0 274581.7799 274036.6381 212910.6314 959234.6304 880895.9166 933643.8275 0 0 0 ginsenoyne j 646947.0678 525469.4944 1099160.173 977229.1161 1160742.461 2965820.258 2282229.873 2401249.542 3018315.466 1394274.499 1240941.657 1371976.327 hexanedioic acid 4952666.715 9102407.351 6358232.384 2829955.739 2285470.562 6548108.499 18689705.06 14344183.74 5577802.122 4763733.037 4489486.524 12387663.72 flavone base + 3o, 1meo, o-hex 38680.99449 24621.6667 63232.01098 430371.7544 432182.246 433723.0466 284208.9624 277891.544 261747.6327 103470.5222 0 39104.85753 licofuranone 522050.6034 533661.2498 909472.8985 359407.0278 729620.707 1682898.351 219483.3641 243577.8986 346236.5922 175009.5895 351884.6588 302507.7199 p-coumaraldehyde 186726.7144 174876.6452 215987.2397 232150.098 242415.9125 239667.152 317430.1807 351727.2376 250206.0369 0 88740.40613 0 7-dehydroxy-4-demethylpodophyllotoxin 907236.3861 929968.5567 852566.8963 423483.4145 449935.8039 385162.6734 188135.5556 130984.8403 127353.1918 0 0 0 cyclohexanone 584100.5151 587775.0148 235980.1484 697197.9026 513377.8063 750206.3878 465979.5139 498146.2024 309372.2281 111213.3655 423108.1214 63827.1844 9-hydroxy-10,12-octadecadienoic acid 454857.0935 447252.6277 633966.7854 301954.4601 438282.5884 478641.9666 495673.9893 450172.194 419104.2833 289954.7492 433096.7477 321547.7803 parthenin 182521.778 186110.9607 122101.347 130242.3015 156216.482 242889.116 610205.0224 603193.8047 663388.7211 100977.5463 158042.4507 124227.2403 5-{8(z),11(z)-pentadecadienyl}resorcinol 271339.7785 222551.6578 525376.8029 769782.6013 693144.8371 2197792.447 954791.7585 1896898.683 1859907.324 1223512.094 1193967.921 1351638.134 lethedoside c 2081190.921 424190.6937 628262.298 308641.3177 280807.7254 72457.92616 0 14714.70165 148199.6933 179379.3852 160839.7536 140344.3559 d-ribose 75471223.24 77701562.05 71504748.95 41296648.28 44623387.2 42448790.93 253499041.6 248544089.6 275264569.7 389017431.6 418756013.8 426628109.3 flavone base + 3o, c-hex-dhex 2987585.719 3083351.804 2761560.136 1692453.093 1752982.464 1532463.06 361435.2071 474381.8159 386386.2377 0 0 0 l-trans-alpha-amino-2-carboxycyclopropaneacetic acid 1155240.274 1384467.077 1179717.174 1159679.657 1137283.293 1197729.82 1271370.19 1311052.889 1154107.661 1083484.202 1225081.65 1095820.481 flavonol base + 3o, o-hex 153494.3663 265406.623 498198.524 460039.5419 431721.0368 540026.0741 60739.99592 53861.52385 42245.6259 366370.4404 348774.6695 185278.4782 8-hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone 342920.5976 303667.6431 691929.2483 367342.7739 349888.5154 558741.7561 168259.0334 511121.4716 343407.3277 145558.7628 521443.8537 419801.0014 kuraridinol 24772928.14 24377932.75 25169870.07 10444301.67 11423776.98 24796720.14 36478350.38 27832681.09 34495383.48 5668983.22 6114404.36 6046745.061 daidzein 25199714.99 26232126.45 24149738.08 20898589.54 21266852.87 21187327.63 1195767.907 2497195.617 2477649.19 447283.7876 299018.5139 2227040.731 resveratrol 28337635.97 30238865.38 32828755.17 37582190.25 26075339.65 34983268.41 52191841.78 50416680.21 55222853.27 36431433.92 28994912.06 28629008.51 quercetin 3-o-glucoside-7-o-rhamnoside 57718.22154 64408.32371 70060.15183 158062.5513 143021.3555 109408.4358 0 0 0 0 0 0 fa 18:4+1o 2590564.046 4079657.538 3542690.904 3906402.746 3992219.986 5982615.27 22956094.29 19827039.35 22153130.95 2752055.195 3572738.597 2934889.145 3,9-dimethoxypterocarpan 5458110.807 5023668.936 4189747.84 40074432.31 38325619.83 33698839.35 34041150.73 27753094.17 35314664.6 668976.7643 377265.3016 15329.71145 (2~{s},3~{r},4~{s},5~{s},6~{r})-2-[4-[(3~{s},3~{a}~{r},6~{s},6~{a}~{r})-6-[3,5-dimethoxy-4-[(2~{s},3~{r},4~{s},5~{s},6~{r})-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3~{a},4,6,6~{a}-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 9202753.058 6862768.375 2922274.33 1217184.033 349089.0698 112993.1783 985684.4838 501781.8316 485257.3861 3287853.562 2206515.339 2002700.415 isoflavone base + 3o, 1prenyl 110548.2761 91435.47724 280686.488 472184.4295 505473.4512 536972.923 715477.5568 788289.1613 1125006.865 61525.06362 49380.10699 52906.81147 [(1~{s},5~{z},9~{r},10~{r})-6-(hydroxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undec-5-enyl]methyl acetate 9552066.478 9747570.333 10091141.58 7151939.517 7991638.407 16022841.02 27645208.14 36346347.22 37474161.24 11164888.69 9933598.982 9506760.859 cycloviolaxanthin 67959.09156 63018.50926 85627.52424 18845.16044 24092.41678 11838.15829 64622.14377 49491.93783 31354.62461 40416.43098 51044.6769 41071.58755 s(8-8)s hexoside 24589.93915 14650.01016 25707.50273 18218.05586 34344.99334 43776.63406 17995.55401 30380.32656 56041.29234 267385.9945 119595.9842 242296.0281 methylnissolin-3-o-glucoside 8456444.21 8485815.965 6840504.245 3346283.071 3866173.187 2363742.597 808607.3392 778793.6302 601126.8361 288901.4127 240871.7904 264538.8263 salvinorin a 1808221.941 1456464.804 740585.3805 0 39719.82796 7037.28489 33059.53291 31152.81 40036.30084 0 230517.9071 416594.4331 l-rhamnose 2215973.071 2321484.978 2213046.181 2269531.504 2394510.436 2592088.146 3870798.509 3560147.423 3788350.073 3583587.331 3673338.529 3528552.355 2-[[3-[[3-hydroxy-2-[2-(1~{h}-pyrrole-2-carbonylamino)butanoylamino]propanoyl]amino]-3-phenylpropanoyl]amino]butanoic acid 1483621.519 1734134.952 1795774.345 1851548.481 1793883.729 1489430.945 1103491.7 1270560.398 990876.4003 576612.1969 884282.834 908451.8315 3-ethoxy-4-hydroxybenzaldehyde 659951.3463 703654.9716 847692.8181 1262795.559 781681.9805 1256841.215 458930.7175 1319973.048 645499.6436 471959.7229 1056160.51 623282.3985 l-3-methylhistidine 376434.972 387288.4667 531880.7769 454091.4754 483179.396 505663.1072 328719.1928 367422.1176 422485.5748 571726.036 526912.7905 610543.6841 embelin 61339271.22 50233039.85 73749056.37 50383797.33 42732041.2 55973151.01 78923452.4 90483580.9 100066518.7 67993693.01 90160146.65 74332822.42 6-(3,4-dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6h)-one 4582800.347 4279859.554 4381078.413 8741066.492 9039794.262 7474680.019 2758568.129 2720362.367 2553013.031 1848201.529 1906067.762 2004227.89 4-acetylbutyric acid 0 0 225072.5239 2433742.401 2251600.197 2031483.81 456610.938 671201.79 673949.9146 0 0 856521.3987 lusitanicoside 902817.3325 865879.1603 836151.9336 1567901.238 1544766.175 1366659.536 2724188.684 2335040.328 2747841.02 352969.8349 384625.8031 422841.9586 millefin 2104452.461 2067321.159 2344835.998 1930353.438 2047899.743 4264096.923 9053380.673 10145754.49 12333518.27 2199504.859 1853257.778 1605212.347 ecgonine methylester 279867.4565 286726.6736 295118.5298 274979.7102 311286.7905 302616.038 375075.0533 544149.8949 398286.279 317908.7143 267225.1206 286704.9562 kinetin riboside 112731.4766 82984.42222 98777.61582 178713.154 163946.594 75061.73786 352231.9848 409611.293 413392.7114 178006.8725 156673.1238 134785.1944 pulmatin 369359.5267 404738.425 228048.4635 167619.9705 172590.2834 140062.2721 0 0 0 0 0 0 kuraridin 587921.9435 2115309.317 155813.4305 672181.8984 421935.8094 41385.79969 13779786.43 10155410.01 14196216.59 7233959.821 5858536.841 6968160.951 mangostin 0 673325.8455 562671.0758 477658.614 655981.1228 996604.4547 1163885.148 972328.81 1108060.099 631218.2082 621933.9978 732029.2239 petunidin-3-o-beta-glucoside 188621.9182 213437.4279 274646.2895 1052669.494 512103.1562 819677.8283 8892.111696 33166.71896 20348.57056 42555.49629 49794.1178 69630.94759 aspartate 298199.7189 383445.304 327306.3001 225163.2841 861472.7801 295661.3222 407880.8148 428730.5107 260867.8885 325547.1297 331037.7711 311618.0802 3-(2,4-dihydroxyphenyl)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one 3020340.15 3124934.187 3158820.274 4358072.156 3965839.536 4365404.453 14964960.35 15953615.96 15950368.4 802782.0921 681806.2593 740167.2362 osmanthuside a 1286801.626 1224533.171 979484.9959 750305.3118 863334.1189 1295269.377 1255586.529 931702.9882 640085.0934 20958.22485 0 0 pterosin a 1835467.813 1846271.696 1694880.898 1655951.182 1786418.036 1817432.395 382045.3865 386853.3905 372921.0868 17313.56288 71964.39113 16397.6688 vindoline 1603737.572 1648699.342 1472312.604 1364950.278 1341513.912 1189532.957 2530037.237 2271551.729 2532244.823 390927.3328 386099.9041 401954.4468 jacaglabroside b 823155.2341 820477.8649 510202.7235 355636.2438 317719.8982 531445.6132 247377.8983 246540.5853 194605.5104 509263.8942 397597.7458 429811.9481 pelargonidin 3-sophoroside 5-glucoside 11275254 1190272.584 0 0 0 0 230312.2423 124674.0509 444361.3348 379098.7136 157580.0801 327248.3688 epithienamycin e 3569640.576 4079754.275 4201010.247 923164.5711 483173.8653 502299.432 8416202.864 7745234.442 4760860.295 3670209.253 4355121.285 4647249.996 [2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] (z)-2-methylbut-2-enoate 86140.04907 112802.9813 273414.6782 141134.6304 208810.6734 223077.6859 244800.9466 193761.2007 219036.4475 153444.097 199461.8471 211148.889 cistanoside a 151375.7045 129488.2671 87273.79263 4913.888229 0 0 0 0 0 24003.08672 8191.014566 10022.59288 mirificin 619497.2628 696433.5994 488606.1173 579993.8378 462536.0658 470684.5845 885158.5604 632957.9687 856928.3957 942284.601 911058.7842 1035438.873 podolide 3103772.494 2846103.082 2581998.387 1879611.637 1864163.909 2606425.843 19978120.42 16438435.14 21161583.9 4397147.45 3625914.144 4137644.146 alpha-d-glucose 6707535.11 10338503.33 7982428.156 17972181.28 17548232.51 17773816.09 23658712.77 23227522.6 23910282.85 5103546.034 6308929.974 5416887.06 aliarin 4'-methyl ether 231834.1646 205041.2025 119689.1606 16103.09061 64312.64763 28702.92319 159919.855 203356.779 140975.2154 1934508.451 4482309.362 4473090.681 trifolirhizin 2043936.112 2157053.764 1677035.129 1099526.074 862716.4864 508690.2135 262280.2571 2036758.866 298017.9282 474266.4452 419504.1772 447423.35 isotetrandrine 3035581.838 2506976.185 1834518.532 2619120.839 2746728.084 1783544.263 191066.7954 172568.7676 138196.0113 0 0 0 malvidin 3-rutinoside-5-glucoside 531306.8168 454880.8811 406342.0048 210575.8056 196912.5562 66083.9813 1579233.038 254666.3583 1021383.488 8851946.016 8603091.721 9319845.562 rosavin 4391733.546 4196133.551 3784681.332 22110604.46 21674997.26 24301809.41 47612883.04 44036302.13 45969036.74 73838.60301 49940.55654 130722.4779 5-o-methyllicoricidin 78647.21362 126159.4742 278225.125 718332.8062 438205.9663 1055588.686 543486.552 1626800.53 1847748.47 563887.4642 702333.9578 617242.2999 prenyletin 1863558.564 3260192.551 3127932.39 2043750.485 2464794.155 2167449.579 1105560.736 1388060.885 1197934.742 1191860.47 1613724.064 1273021.331 [(2s,3r,4s,5r,6s)-6-[[(1as,1bs,2s,5ar,6s,6as)-1a-(hydroxymethyl)-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bh-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl] (e)-3-(4-methoxyphenyl)prop-2-enoate 1718827.776 1604127.016 1179171.842 2324104.502 1782440.456 1242122.063 918270.5204 854823.5658 930952.0592 189077.8606 157957.6312 124961.4806 naringin 6''-rhamnoside 5015438.096 8828744.934 2083544.916 533460.7714 692277.7389 58176.50833 929017.1308 519063.8464 553897.5156 429399.6286 164432.2422 102263.973 celastrol 23758727.86 21060616.4 11835320.68 3536495.31 3340303.079 1880642.001 10945761.27 5483837.639 5183169.497 1735708.037 5194343.433 6687273.373 2-[4-[4-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2112556.198 2096482.434 2825912.513 2377050.468 2712633.027 2843042.553 1292935.959 1227754.953 1427883.454 1199246.788 1130878.019 1137950.538 trans-aconitate 1587808.999 1583381.176 1569563.24 1263301.765 1228850.143 1285164.838 1773435.129 1728820.89 1537666.9 1516565.957 1689784.385 1665710.62 undulatoside a 339740.9169 244419.1715 323405.6386 197234.0666 192070.9929 219821.5745 139664.003 122524.3975 136911.5273 91414.3197 90270.07782 64259.09859 (1s,3r,4r,5r)-3-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid 221400.1759 171785.7124 214954.9491 133470.0131 118670.1538 120350.3724 1001663.269 911116.5196 998042.3659 166876.9152 191058.7297 150511.2407 arabitol 565218.1311 487729.4698 625018.5245 329123.251 176932.5514 961345.4366 387365.6846 252745.3251 469071.8675 639489.3438 616459.3891 451288.8015 (4s,5z,6s)-5-[2-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethylidene]-4-(2-methoxy-2-oxoethyl)-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4h-pyran-3-carboxylic acid 1422289.116 1287213.648 1157936.341 630729.721 779715.9359 407926.5562 5798205.131 5080647.317 7734362.293 36766.17403 42474.79334 50080.99132 (8)-gingerol 781448.7661 763752.8066 966525.0482 2543760.109 2181978.319 3038944.38 4122442.714 3429009.867 3783350.112 940655.5252 1520396.612 1526535.9 nordihydrocapsiate 995678.6706 993792.0103 993875.1945 1417912.772 1276916.358 2067097.853 3008536.425 2829284.492 3351077.49 3334936.773 3516149.204 3437836.519 rosin 1505168.099 1955724.545 714461.4348 1188180.138 911008.5808 594868.0656 724868.2373 1573609.354 932809.5991 2016883.842 1916642.678 2587517.681 beta-nicotinamide adenine dinucleotide phosphate 291445.4578 331897.8073 148483.2593 241411.5069 269862.7996 164306.5027 153750.7192 125670.9798 0 375669.4839 407911.1743 411556.6854 4'-cinnamoylmussatioside 87100.52022 54113.29291 65471.55303 749218.6217 688962.4496 685811.6918 611933.0404 526482.0608 954650.1027 98094.64393 45101.6366 50006.82709 3-[(2~{s},3~{r},4~{s},5~{s},6~{r})-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2~{s},3~{r},4~{s},5~{r})-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 638653.3926 843997.736 788993.4185 220609.6296 182260.5014 195872.7888 45246.24777 0 45494.1617 0 0 0 dl-2-hydroxy caproic acid 2770706.782 1630078.745 1436140.857 1888264.42 1713825.913 2229876.227 2348154.827 742205.3566 2284185.657 1099310.991 2249423.997 947200.4936 cucurbitacin e 50590535.31 48263777.89 35390523.15 20216671.6 21129111.32 18305322.16 13856629.09 10337264.42 10459174.6 916031.7895 1594917.243 1397845.44 phillyrin 25962022.75 25971110.17 25886765.68 24675728.48 28510413.76 26464974.46 13245823.79 11447561.17 13159379.36 25415521.34 24996616.19 27129341.86 oxypinnatanine 38526.94146 37036.41074 30220.22651 25033.22124 54287.10384 67673.1567 2992039.597 3105638.145 4310216.497 0 0 0 [(1as,1bs,2s,5ar,6s,6as)-1a-(hydroxymethyl)-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bh-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl] (e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate 401379.0918 335491.4187 525861.5944 30474.88827 24912.06643 59109.66469 47819.64065 52872.29425 49646.85235 244821.967 207582.4993 214711.3634 12:4+3o fatty acyl hexoside 77042.484 552223.6448 123562.2205 229576.3004 306797.6524 3423137.251 139099.6179 107610.1342 166212.7852 290461.498 266216.0775 250379.391 lupinine 1153386.319 1066648.191 1207407.565 1165438.521 1312072.17 1152012.822 1158636.952 1046201.736 1145767.272 2136940.553 2065977.545 2242370.444 artemisic acid 70561635.19 68480124.48 59815172.83 53859620.05 47910514.04 52615565.14 5926594.367 5555545.155 6157902.003 14418668.32 14546990.83 14728486.91 3_,5_,15_-o-triacetoxy-7_-o-benzoyloxy-14_-o nicotynoyloxymyrsinol 3227968.524 3390887.66 3270467.862 2691443.369 3093279.604 2764631.571 227838.9461 284657.0791 231092.2858 1503586.054 904726.0238 1512970.444 riboflavin 565213.8826 535344.0704 538113.0176 140500.844 188435.4003 71979.33709 246409.9604 180125.0049 236158.5893 178040.5926 215231.7369 227924.3472 isorhamnetin 21718638.19 21242478.91 18898001.37 7830141.353 8156995.413 5632470.582 1109308.968 920680.4543 806992.3514 0 0 0 obacunone 25869.699 12352.39397 26530.43451 44867.15968 81449.84075 57898.25704 110357.3906 96590.62715 178862.885 0 0 0 helenine 23548119.45 23994549.78 23530828 11497293.83 12094407.44 19388393.37 21258656.18 25901491.22 26497758.87 15051418.63 14243030.33 9473910.42 fa 18:1+2o 372480.5491 446463.261 538459.2239 789355.1645 622938.7567 1433801.875 626184.425 516066.3419 563843.719 446259.8208 494440.7513 503270.1677 hmboa + o-hex 56620.20632 17288.48338 6016.02677 0 0 0 5458.009302 3841.701767 10520.31791 311726.1796 306213.814 331905.5601 3-(2-hydroxyphenyl)propanoate 1577936.703 916840.356 980726.4675 1725949.045 1135528.337 1748740.037 712368.0818 778802.5334 751833.2878 751915.5056 764260.2976 663568.3488 4h-chromen-4-one 189411.7229 180402.7672 218033.0138 0 0 141364.2497 0 0 0 50674.09112 52966.4727 57979.31082