Mol ID Molecule name MW OB (%) Caco-2 DL Structure MOL001506 Supraene 410.8 33.54594 2.08183 0.42161 MOL002883 Ethyl oleate (NF) 310.58 32.39739 1.40295 0.19061 MOL009525 3beta-24S(R)-butyl-5-alkenyl-cholestol 456.88 35.35249 1.36151 0.82221 MOL009524 3beta,20(R),5-alkenyl-stigmastol 414.79 36.91391 1.35994 0.75074 MOL000358 Beta-sitosterol 414.79 36.91391 1.32463 0.75123 MOL000359 Sitosterol 414.79 36.91391 1.32059 0.7512 MOL002879 Diop 390.62 43.59333 0.7934 0.39247 MOL006147 Alizarin-2-methylether 254.25 32.80877 0.61959 0.20971 MOL009562 Ohioensin A 372.39 38.13467 0.59512 0.75842 MOL009503 1-Hydroxy-3-methoxy-9,10-anthraquinone 254.25 104.3254 0.58585 0.20915 MOL009495 2-Hydroxy-1,5-dimethoxy-6-(methoxymethyl)-9,10-anthraquinone 328.34 95.85174 0.54305 0.37249 MOL009513 2-Hydroxy-1,8-dimethoxy-7-methoxymethylanthracenequinone 328.34 112.3026 0.45587 0.37164 MOL009500 1,6-Dihydroxy-5-methoxy-2-(methoxymethyl)-9,10-anthraquinone 314.31 104.5394 0.36762 0.33917 MOL009496 1,5,7-Trihydroxy-6-methoxy-2-methoxymethylanthracenequinone 330.31 80.42295 0.27379 0.37789 MOL009519 (2R,3S)-(+)-3 332.33 77.23782 0.12927 0.33461 MOL009504 1-Hydroxy-6-hydroxymethylanthracenequinone 254.25 81.76548 -0.03879 0.2115 MOL009537 Americanin A 328.34 46.70571 -0.07814 0.34901 MOL009551 Isoprincepin 494.53 49.12132 -0.18169 0.77375 MOL001755 24-Ethylcholest-4-en-3-one 412.77 36.08361 1.4563 0.75703 MOL002670 Cavidine 353.45 35.64183 1.0817 0.80513 MOL002714 Baicalein 270.25 33.51892 0.63086 0.20888 MOL000449 Stigmasterol 412.77 43.82985 1.44458 0.75665 MOL005030 Gondoic acid 310.58 30.70294 1.20473 0.19743 MOL000519 Coniferin 314.41 31.11 0.42439 0.32308 MOL006936 10,13-Eicosadienoic 308.56 39.99355 1.22213 0.20012 MOL006937 12,13-Epoxy-9-hydroxynonadeca-7,10-dienoic acid 324.51 42.15218 0.17979 0.24248 MOL006957 (3S,6S)-3-(Benzyl)-6-(4-hydroxybenzyl)piperazine-2,5-quinone 310.38 46.8889 0.41366 0.26989 MOL003578 Cycloartenol 426.8 38.68566 1.52617 0.78093 MOL002388 Delphin 303.26 57.7617 0.11969 0.2786 MOL002415 6-Demethyldesoline 453.64 51.87164 -0.25991 0.65822 MOL002419 (R)-Norcoclaurine 271.34 82.54295 0.62871 0.20872 MOL002397 Karakoline 377.58 51.7309 0.32469 0.73447 MOL002421 Ignavine 449.59 84.07948 -0.07071 0.24798 MOL002422 Isotalatizidine 407.61 50.82414 -0.10596 0.73291 MOL002395 Deoxyandrographolide 334.5 56.3041 0.181 0.31451 MOL002410 Benzoylnapelline 463.67 34.0565 0.19203 0.52933 MOL002416 Deoxyaconitine 629.82 30.95922 -0.2338 0.24469 MOL002434 Carnosifloside I 456.78 38.15575 0.2846 0.79654 MOL000538 Hypaconitine 615.79 31.38846 -0.3365 0.26085 MOL002211 11,14-Eicosadienoic acid 308.56 39.99355 1.21793 0.20044 MOL002401 Neokadsuranic acid B 452.74 43.09829 0.68515 0.85195 MOL002392 Deltoin 328.39 46.69281 0.55431 0.36837 MOL002398 Karanjin 292.3 69.55687 1.22452 0.33616 MOL002464 1-Monolinolein 354.59 37.17663 0.31862 0.30249 MOL002501 [(1S)-3-[(E)-but-2-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate 360.49 62.51583 0.36515 0.30983 MOL002514 Sexangularetin 316.28 62.85792 0.31432 0.2968 MOL001736 (-)-Taxifolin 304.27 60.50622 -0.24278 0.27342 MOL000492 (+)-Catechin 290.29 54.82643 -0.03424 0.24164 MOL000073 ent-Epicatechin 290.29 48.95984 0.01948 0.24162 MOL004576 Taxifolin 304.27 57.84156 -0.22844 0.27345 MOL011169 Peroxyergosterol 428.72 44.39152 0.86327 0.82 MOL001510 24-Epicampesterol 400.76 37.57682 1.43482 0.71413 MOL001645 Linoleyl acetate 308.56 42.10077 1.35826 0.19845 MOL001771 Poriferast-5-en-3beta-ol 414.79 36.91391 1.45001 0.75034 MOL001792 Liquiritigenin 256.27 32.76272 0.50823 0.18316 MOL003044 Chryseriol 300.28 35.85089 0.39361 0.27415 MOL003542 8-Isopentenyl-kaempferol 354.38 38.04434 0.53297 0.3948 MOL000422 Kaempferol 286.25 41.88225 0.26096 0.24066 MOL004367 Olivil 376.44 62.2286 -0.1612 0.40642 MOL004373 Anhydroicaritin 368.41 45.41193 0.72306 0.43786 MOL004380 C-Homoerythrinan, 1,6-didehydro-3,15,16-trimethoxy-, (3.beta.)- 329.48 39.13993 1.01828 0.49461 MOL004382 Yinyanghuo A 420.49 56.95738 0.37565 0.76747 MOL004384 Yinyanghuo C 336.36 45.672 0.74533 0.50155 MOL004386 Yinyanghuo E 352.36 51.63213 0.50883 0.5474 MOL004388 6-Hydroxy-11,12-dimethoxy-2,2-dimethyl-1,8-dioxo-2,3,4,8-tetrahydro-1H-isochromeno[3,4-h]isoquinolin-2-ium 370.41 60.64151 0.34258 0.65693 MOL004391 8-(3-Methylbut-2-enyl)-2-phenyl-chromone 290.38 48.5445 1.52596 0.25066 MOL004396 1,2-bis(4-Hydroxy-3-methoxyphenyl)propan-1,3-diol 320.37 52.31425 0.0015 0.22066 MOL000006 Luteolin 286.25 36.16263 0.185 0.24552 MOL000622 Magnograndiolide 266.37 63.70888 0.02344 0.18833 MOL000098 Quercetin 302.25 46.43335 0.04842 0.27525 MOL003576 (1R,3aS,4R,6aS)-1,4-bis(3,4-Dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan 386.48 52.34558 0.83015 0.62031 MOL001494 Mandenol 308.56 41.9962 1.45585 0.19321 MOL003648 Inermin 284.28 65.83093 0.91157 0.53754 MOL004492 Chrysanthemaxanthin 584.96 38.72398 0.50972 0.58352 MOL005308 Aposiopolamine 271.34 66.64691 0.65617 0.21999 MOL005314 Celabenzine 379.55 101.8826 0.77185 0.48772 MOL005317 Deoxyharringtonine 515.66 39.27444 0.18714 0.8116 MOL005318 Dianthramine 289.26 40.44641 -0.22511 0.19676 MOL005320 Arachidonate 304.52 45.57325 1.26865 0.20491 MOL005321 Frutinone A 264.24 65.90373 0.88838 0.34184 MOL005348 Ginsenoside-Rh4 458.8 31.11215 0.49755 0.77829 MOL005356 Girinimbin 263.36 61.2153 1.72097 0.31484 MOL005357 Gomisin B 514.62 31.99042 0.60183 0.82858 MOL005360 Malkangunin 432.56 57.71384 0.21673 0.62642 MOL005376 Panaxadiol 460.82 33.08796 0.82469 0.79404 MOL005384 Suchilactone 368.41 57.51882 0.82023 0.55573 MOL005399 Alexandrin 414.79 36.91391 1.30404 0.75268 MOL005401 Ginsenoside Rg5 442.8 39.56307 0.87742 0.78506 MOL000787 Fumarine 353.4 59.2625 0.56266 0.82694
