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CAS No.	英文名/中文名/SMILES	分子式	分子量
38647-10-8	Tripdiolide 雷公藤乙素 CC(C)C12C(O1)C3C4(O3)C5(CC(C6=C(C5CC7C4(C2O)O7)COC6=O)O)C	C₂₀H₂₄O₇	376.4
6920-38-3	Luteolin-4'-glucoside 木犀草素-4'-O-葡萄糖苷 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O	C₂₁H₂₀O₁₁	448.4
474-60-2	Campestanol 油菜甾醇 CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C	C₂₈H₅₀O	402.7
174286-23-8	[(2S,4S,5R,6S)-4-[(2S,3R,4S,5S,6R)-3-Acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-2-methyloxan-3-yl] acetate 朝藿苷E CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)OC6C(C(C(C(O6)CO)O)O)OC(=O)C)OC(=O)C	C₄₃H₅₄O₂₂	922.9
174286-13-6	Epimedin K 朝藿定K CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)OC6C(C(C(C(O6)COC(=O)C)O)O)OC(=O)C)OC(=O)C	C₄₅H₅₆O₂₃	964.9
133137-58-3	Epimedin B1 朝藿定B1 CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)O)OC6C(C(C(CO6)O)O)O	C₃₈H₄₈O₁₉	808.8
41758-69-4	(19,20,22,23,25-Pentaacetyloxy-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl)methyl acetate 雷公藤新碱 CC1CCC2=C(C=CC=N2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C	C₃₈H₄₇NO₁₈	805.8
97399-71-8	3alpha-Hydroxytanshinone IIA 3alpha-羟基丹参酮IIA CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)C)O	C₁₉H₁₈O₄	310.3
4099-30-3	Desacetylcinobufotalin 去乙酰华蟾毒它灵 CC12CCC(CC1(CCC3C2CCC4(C35C(O5)C(C4C6=COC(=O)C=C6)O)C)O)O	C₂₄H₃₂O₆	416.5
90-69-7	Lobeline 山梗菜碱（洛贝林） CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O	C₂₂H₂₇NO₂	337.5