| 药名 | 标记 | 化合物名称 | 分子号 |
| 茯苓 | FL1 | (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5, 6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid | MOL000273 |
| FL2 | Trametenolic acid | MOL000275 | |
| FL3 | 7,9(11)-dehydropachymic acid | MOL000276 | |
| FL4 | Cerevisterol | MOL000279 | |
| FL5 | (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6, 12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-isopropyl-hex-5-enoic acid | MOL000280 | |
| FL6 | Ergosta-7,22E-dien-3beta-ol | MOL000282 | |
| FL7 | Ergosterol peroxide | MOL000283 | |
| FL8 | (2R)-2-[(5R,10S,13R,14R,16R,17R)-16-hydroxy-3-keto-4,4,10,13,14-pentamethyl-1,2,5, 6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-5-isopropyl-hex-5-enoic acid | MOL000285 | |
| FL9 | 3beta-Hydroxy-24-methylene-8-lanostene-21-oic acid | MOL000287 | |
| FL10 | Pachymic acid | MOL000289 | |
| FL11 | Poricoic acid A | MOL000290 | |
| FL12 | Poricoic acid B | MOL000291 | |
| FL13 | Poricoic acid C | MOL000292 | |
| FL14 | Hederagenin | MOL000296 | |
| 甘草 | GC1 | Inermine | MOL001484 |
| GC2 | DFV | MOL001792 | |
| GC3 | Mairin | MOL000211 | |
| GC4 | Glycyrol | MOL002311 | |
| GC5 | Jaranol | MOL000239 | |
| GC6 | Medicarpin | MOL002565 | |
| GC7 | Isorhamnetin | MOL000354 | |
| GC8 | Sitosterol | MOL000359 | |
| GC9 | Lupiwighteone | MOL003656 | |
| GC10 | 7-Methoxy-2-methyl isoflavone | MOL003896 | |
| GC11 | Formononetin | MOL000392 | |
| GC12 | Calycosin | MOL000417 | |
| GC13 | Kaempferol | MOL000422 | |
| GC14 | Naringenin | MOL004328 | |
| GC15 | (2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one | MOL004805 | |
| GC16 | Euchrenone | MOL004806 | |
|
| GC17 | Glyasperin B | MOL004808 |
| GC18 | Glyasperin F | MOL004810 | |
| GC19 | Glyasperin C | MOL004811 | |
| GC20 | Isotrifoliol | MOL004814 | |
| GC21 | (E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one | MOL004815 | |
| GC22 | Kanzonols W | MOL004820 | |
| GC23 | (2S)-6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one | MOL004824 | |
| GC24 | Semilicoisoflavone B | MOL004827 | |
| GC25 | Glepidotin A | MOL004828 | |
| GC26 | Glepidotin B | MOL004829 | |
| GC27 | Phaseolinisoflavan | MOL004833 | |
| GC28 | Glypallichalcone | MOL004835 | |
| GC29 | 8-(6-hydroxy-2-benzofuranyl)-2,2-dimethyl-5-chromenol | MOL004838 | |
| GC30 | Licochalcone B | MOL004841 | |
| GC31 | Licochalcone G | MOL004848 | |
| GC32 | 3-(2,4-dihydroxyphenyl)-8-(1,1-dimethylprop-2-enyl)-7-hydroxy-5-methoxy-coumarin | MOL004849 | |
| GC33 | Licoricone | MOL004855 | |
| GC34 | Gancaonin A | MOL004856 | |
| GC35 | Gancaonin B | MOL004857 | |
| GC36 | Licorice glycoside E | MOL004860 | |
| GC37 | 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromone | MOL004863 | |
| GC38 | 5,7-dihydroxy-3-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromone | MOL004864 | |
| GC39 | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromone | MOL004866 | |
| GC40 | Glycyrin | MOL004879 | |
| GC41 | Licocoumarone | MOL004882 | |
| GC42 | Licoisoflavone | MOL004883 | |
| GC43 | Licoisoflavone B | MOL004884 | |
| GC44 | Licoisoflavanone | MOL004885 | |
| GC45 | Shinpterocarpin | MOL004891 | |
| GC46 | (E)-3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-1-(2,4-dihydroxyphenyl)prop-2-en- 1-one | MOL004898 | |
| GC47 | Liquiritin | MOL004903 | |
| GC48 | Licopyranocoumarin | MOL004904 | |
| GC49 | 3,22-Dihydroxy-11-oxo-delta(12)-oleanene-27-alpha-methoxycarbonyl-29-oic acid | MOL004905 | |
| GC50 | Glyzaglabrin | MOL004907 | |
| GC51 | Glabridin | MOL004908 | |
| GC52 | Glabranin | MOL004910 | |
|
| GC53 | Glabrone | MOL004912 |
| GC54 | 1,3-dihydroxy-9-methoxy-6-benzofurano[3,2-c]chromenone | MOL004913 | |
| GC55 | 1,3-dihydroxy-8,9-dimethoxy-6-benzofurano[3,2-c]chromenone | MOL004914 | |
| GC56 | Eurycarpin A | MOL004915 | |
| GC57 | Glycyroside | MOL004917 | |
| GC58 | (-)-Medicocarpin | MOL004924 | |
| GC59 | Sigmoidin-B | MOL004935 | |
| GC60 | (2R)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one | MOL004941 | |
| GC61 | (2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one | MOL004945 | |
| GC62 | Isoglycyrol | MOL004948 | |
| GC63 | Isolicoflavonol | MOL004949 | |
| GC64 | HMO | MOL004957 | |
| GC65 | 1-Methoxyphaseollidin | MOL004959 | |
| GC66 | Quercetin der. | MOL004961 | |
| GC67 | 3'-Hydroxy-4'-O-Methylglabridin | MOL004966 | |
| GC68 | Licochalcone a | MOL000497 | |
| GC69 | 3'-Methoxyglabridin | MOL004974 | |
| GC70 | 2-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]-5-methoxyphenol | MOL004978 | |
| GC71 | Inflacoumarin A | MOL004980 | |
| GC72 | Icos-5-enoic acid | MOL004985 | |
| GC73 | Kanzonol F | MOL004988 | |
| GC74 | 6-prenylated eriodictyol | MOL004989 | |
| GC75 | 7,2',4'-trihydroxy－5-methoxy-3－arylcoumarin | MOL004990 | |
| GC76 | 7-Acetoxy-2-methylisoflavone | MOL004991 | |
| GC77 | 8-prenylated eriodictyol | MOL004993 | |
| GC78 | Gadelaidic acid | MOL004996 | |
| GC79 | Vestitol | MOL000500 | |
| GC80 | Gancaonin G | MOL005000 | |
| GC81 | Gancaonin H | MOL005001 | |
| GC82 | Licoagrocarpin | MOL005003 | |
| GC83 | Glyasperins M | MOL005007 | |
| GC84 | Glycyrrhiza flavonol A | MOL005008 | |
| GC85 | Licoagroisoflavone | MOL005012 | |
| GC86 | 18α-hydroxyglycyrrhetic acid | MOL005013 | |
| GC87 | Odoratin | MOL005016 | |
| GC88 | Phaseol | MOL005017 | |
| GC89 | Xambioona | MOL005018 | |
|
| GC90 | Dehydroglyasperins C | MOL005020 |
| GC91 | Quercetin | MOL000098 | |
| 五味子 | WWZ1 | Longikaurin A | MOL004624 |
| WWZ2 | Deoxyharringtonine | MOL005317 | |
| WWZ3 | Angeloylgomisin O | MOL008956 | |
| WWZ4 | Schizandrer B | MOL008957 | |
| WWZ5 | Gomisin-A | MOL008968 | |
| WWZ6 | Gomisin G | MOL008974 | |
| WWZ7 | Gomisin R | MOL008978 | |
| WWZ8 | Wuweizisu C | MOL008992 | |
| 干姜 | GJ1 | 1-Monolinolein | MOL002464 |
| GJ2 | [(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 | MOL002501 | |
| GJ3 | Sexangularetin | MOL002514 | |
| GJ4 | Beta-sitosterol | MOL000358 | |
| GJ5 | Sitosterol | MOL000359 | |
| 细辛 | XX1 | 4,9-dimethoxy-1-vinyl-$b-carboline | MOL012140 |
| XX2 | Caribine | MOL012141 | |
| XX3 | Cryptopin | MOL001460 | |
| XX4 | Sesamin | MOL001558 | |
| XX5 | [(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 | MOL002501 | |
| XX6 | (3S)-7-hydroxy-3-(2,3,4-trimethoxyphenyl)chroman-4-one | MOL002962 | |
| XX7 | Kaempferol | MOL000422 | |
| XX8 | ZINC05223929 | MOL009849 | |
| 半夏 | BX1 | 24-Ethylcholest-4-en-3-one | MOL001755 |
| BX2 | Cavidine | MOL002670 | |
| BX3 | Baicalein | MOL002714 | |
| BX4 | Baicalin | MOL002776 | |
| BX5 | Beta-sitosterol | MOL000358 | |
| BX6 | Stigmasterol | MOL000449 | |
| BX7 | Gondoic acid | MOL005030 | |
| BX8 | Coniferin | MOL000519 | |
| BX9 | 10,13-eicosadienoic | MOL006936 | |
| BX10 | 12,13-epoxy-9-hydroxynonadeca-7,10-dienoic acid | MOL006937 | |
| BX11 | (3S,6S)-3-(benzyl)-6-(4-hydroxybenzyl)piperazine-2,5-quinone | MOL006957 | |
| BX12 | Cycloartenol | MOL003578 | |
| BX13 | Beta-D-Ribofuranoside, xanthine-9 | MOL006967 |