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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(3S,8S,9R,10R,13S,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one - CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@]1(CC[C@@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C	C₂₉H₄₈O₂	428.7
-	N-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]-L-phenylalanine - C1[C@H](NCC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O	C₁₉H₂₀N₂O₃	324.4
-	4-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzoic acid - COC1=C(C=CC(=C1)CO)OCC2=CC=C(C=C2)C(=O)O	C₁₆H₁₆O₅	288.29
-	(3S,4aR,6aS,6aS,6bR,8aS,9R,10S,12aR,14bS)-3-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid - C[C@]12CC[C@@H]([C@@]([C@H]1CC[C@@]3([C@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC([C@H](C5)O)(C)C)C(=O)O)C)C)(C)CO)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O	C₃₆H₅₈O₁₀	650.8
-	(3R)-3-[(Z)-3-(3,5-dihydroxyphenyl)prop-2-enoyl]-5-hydroxy-3,4-dihydropyran-2-one - C1[C@@H](C(=O)OC=C1O)C(=O)/C=C\C2=CC(=CC(=C2)O)O	C₁₄H₁₂O₆	276.24
-	[(7R,8aS)-7-hydroxy-1'-methylspiro[1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl]-pyridin-3-ylmethanone - CN1CC2(C1)CN(C[C@H]3N2C[C@@H](C3)O)C(=O)C4=CN=CC=C4	C₁₆H₂₂N₄O₂	302.37
-	(2S,3S,4S,5S,6R)-2-(5,7-dichloro-8-hydroxy-6-methylnaphthalen-1-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol - CC1=C(C2=C(C(=CC=C2)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=C1Cl)O)Cl	C₁₇H₁₈Cl₂O₇	405.2
-	[(E)-7-hydroxy-4-methyl-2-methylidenehept-4-enyl] (2R)-3-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoate - C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)OCC(=C)C/C(=C/CCO)/C)O)O)C)O)O	C₅₃H₈₂O₁₄	943.2
-	7Alpha-Ethoxyroyleanone - CCO[C@@H]1C[C@@H]2[C@](CCCC2(C)C)(C3=C1C(=C(C(=O)C3=O)C(C)C)O)C	C₂₂H₃₂O₄	360.5
-	5-[[6-[(6-Aminopurin-9-yl)methyl]-2-bromo-3,4-dihydroxyphenyl]methyl]-3,4-dibromobenzene-1,2-diol - C1=C(C(=C(C(=C1O)O)Br)Br)CC2=C(C(=C(C=C2CN3C=NC4=C(N=CN=C43)N)O)O)Br	C₁₉H₁₄BR₃N₅O₄	616.1