| 编号 | 成分 | 药物 | 
| MOL001494 | mandenol | 川芎 | 
| MOL002135 | myricanone | 川芎 | 
| MOL002140 | perlolyrine | 川芎 | 
| MOL002151 | senkyunone | 川芎 | 
| MOL002157 | wallichilide | 川芎 | 
| MOL000433 | FA | 川芎 | 
| MOL001601 | 1,2,5,6-tetrahydrotanshinone | 丹参 | 
| MOL001659 | poriferasterol | 丹参 | 
| MOL001942 | isoimperatorin | 丹参 | 
| MOL002222 | sugiol | 丹参 | 
| MOL002651 | dehydrotanshinone II A | 丹参 | 
| MOL000569 | digallate | 丹参 | 
| MOL006824 | α-amyrin | 丹参 | 
| MOL007036 | 5,6-dihydroxy-7-isopropyl-1,1-dimethyl-2,3-dihydrophenanthren-4-one | 丹参 | 
| MOL007041 | 2-isopropyl-8-methylphenanthrene-3,4-dione | 丹参 | 
| MOL007045 | 3α-hydroxytanshinone II a | 丹参 | 
| MOL007048 | (E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-benzofuran-4-yl]acrylic acid | 丹参 | 
| MOL007049 | 4-methylenemiltirone | 丹参 | 
| MOL007050 | 2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-3-benzofurancarboxaldehyde | 丹参 | 
| MOL007051 | 6-o-syringyl-8-o-acetyl shanzhiside methyl ester | 丹参 | 
| MOL007058 | formyltanshinone | 丹参 | 
| MOL007059 | 3-beta-hydroxymethyllenetanshiquinone | 丹参 | 
| MOL007061 | methylenetanshinquinone | 丹参 | 
| MOL007063 | przewalskin a | 丹参 | 
| MOL007064 | przewalskin b | 丹参 | 
| MOL007068 | Przewaquinone B | 丹参 | 
| MOL007069 | przewaquinone c | 丹参 | 
| MOL007070 | (6S,7R)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione | 丹参 | 
| MOL007071 | przewaquinone f | 丹参 | 
| MOL007077 | sclareol | 丹参 | 
| MOL007079 | tanshinaldehyde | 丹参 | 
| 编号 | 成分 | 药物 | 
| MOL007081 | danshenol B | 丹参 | 
| MOL007082 | danshenol A | 丹参 | 
| MOL007085 | salvilenone | 丹参 | 
| MOL007088 | cryptotanshinone | 丹参 | 
| MOL007093 | dan-shexinkum d | 丹参 | 
| MOL007094 | danshenspiroketallactone | 丹参 | 
| MOL007098 | deoxyneocryptotanshinone | 丹参 | 
| MOL007100 | dihydrotanshinlactone | 丹参 | 
| MOL007101 | Dihydrotanshinone I | 丹参 | 
| MOL007105 | epidanshenspiroketallactone | 丹参 | 
| MOL007107 | C09092 | 丹参 | 
| MOL007108 | isocryptotanshi-none | 丹参 | 
| MOL007111 | isotanshinone II | 丹参 | 
| MOL007115 | manool | 丹参 | 
| MOL007118 | microstegiol | 丹参 | 
| MOL007119 | miltionone I | 丹参 | 
| MOL007120 | miltionone II | 丹参 | 
| MOL007121 | miltipolone | 丹参 | 
| MOL007122 | miltirone | 丹参 | 
| MOL007123 | miltirone II | 丹参 | 
| MOL007124 | neocryptotanshinone II | 丹参 | 
| MOL007125 | neocryptotanshinone | 丹参 | 
| MOL007127 | 1-methyl-8,9-dihydro-7H-naphtho[5,6-g]benzofuran-6,10,11-trione | 丹参 | 
| MOL007130 | prolithospermic acid | 丹参 | 
| MOL007132 | (2R)-3-(3,4-dihydroxyphenyl)-2-[(Z)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-propionic acid | 丹参 | 
| MOL007140 | (Z)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-3,4-dihydroxy-phenyl]acrylic acid | 丹参 | 
| MOL007141 | salvianolic acid g | 丹参 | 
| MOL007142 | salvianolic acid j | 丹参 | 
| MOL007143 | salvilenone I | 丹参 | 
| MOL007145 | salviolone | 丹参 | 
| MOL007149 | NSC 122421 | 丹参 | 
| MOL007150 | (6S)-6-hydroxy-1-methyl-6-methylol-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone | 丹参 | 
| MOL007151 | tanshindiol B | 丹参 | 
| 编号 | 成分 | 药物 | 
| MOL007152 | przewaquinone E | 丹参 | 
| MOL007154 | tanshinoneiia | 丹参 | 
| MOL007155 | (6S)-6-(hydroxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione | 丹参 | 
| MOL007156 | tanshinone VI | 丹参 | 
| MOL002680 | flavoxanthin | 红花 | 
| MOL002694 | 4-[(E)-4-(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)but-2-enylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one | 红花 | 
| MOL002695 | lignan | 红花 | 
| MOL002698 | lupeol-palmitate | 红花 | 
| MOL002706 | phytoene | 红花 | 
| MOL002707 | phytofluene | 红花 | 
| MOL002710 | Pyrethrin II | 红花 | 
| MOL002712 | 6-Hydroxykaempferol | 红花 | 
| MOL002717 | qt_carthamone | 红花 | 
| MOL002719 | 6-Hydroxynaringenin | 红花 | 
| MOL002721 | quercetagetin | 红花 | 
| MOL002757 | 7,8-dimethyl-1H-pyrimido[5,6-g]quinoxaline-2,4-dione | 红花 | 
| MOL002773 | beta-carotene | 红花 | 
| MOL000422 | kaempferol | 红花 | 
| MOL000953 | CLR | 红花 | 
| MOL000098 | quercetin | 红花 | 
| MOL007004 | albiflorin | 赤芍 | 
| MOL006990 | (1S,2S,4R)-trans-2-hydroxy-1,8-cineole-B-D-glucopyranoside | 赤芍 | 
| 编号 | 成分 | 药物 | 
| MOL007003 | benzoyl paeoniflorin | 赤芍 | 
| MOL007025 | isobenzoylpaeoniflorin | 赤芍 | 
| MOL007014 | 8-debenzoylpaeonidanin | 赤芍 | 
| MOL002883 | ethyl oleate (NF) | 赤芍 | 
| MOL006994 | 1-o-beta-d-glucopyranosyl-8-o-benzoylpaeonisuffrone_qt | 赤芍 | 
| MOL006999 | stigmast-7-en-3-ol | 赤芍 | 
| MOL005043 | campest-5-en-3beta-ol | 赤芍 | 
| MOL004355 | Spinasterol | 赤芍 | 
| MOL001002 | ellagic acid | 赤芍 | 
| MOL007005 | albiflorin_qt | 赤芍 | 
| MOL001921 | lactiflorin | 赤芍 | 
| MOL001924 | paeoniflorin | 赤芍 | 
| MOL000492 | (+)-catechin | 赤芍 | 
| MOL007012 | 4-o-methyl-paeoniflorin_qt | 赤芍 | 
| MOL007008 | 4-ethyl-paeoniflorin_qt | 赤芍 | 
| MOL006992 | (2R,3R)-4-methoxyl-distylin | 赤芍 | 
| MOL007018 | 9-ethyl-neo-paeoniaflorin A_qt | 赤芍 | 
| MOL007022 | evofolinB | 赤芍 | 
| MOL006996 | 1-o-beta-d-glucopyranosylpaeonisuffrone_qt | 赤芍 | 
| MOL007016 | Paeoniflorigenone | 赤芍 | 
| MOL001771 | poriferast-5-en-3beta-ol | 丹参、红花 | 
| MOL002776 | Baicalin | 丹参、红花、赤芍 | 
| MOL000006 | luteolin | 丹参、红花 | 
| MOL002714 | baicalein | 红花、赤芍 | 
| MOL000358 | beta-sitosterol | 当归、红花、赤芍 | 
| MOL000449 | Stigmasterol | 当归、红花、赤芍 | 
| MOL000359 | sitosterol | 赤芍、川芎 |