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CAS No.	英文名/中文名/SMILES	分子式	分子量
99957-10-5	(4aS,7R,8S)-4,4a,5,6,7,8-Hexahydro-8-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-2(3H)-naphthalenone - CC1=C2[C@H]([C@@H](CC[C@]2(CCC1=O)C)C(C)(C)O)O	C₁₅H₂₄O₃	252.35
-	[(5Z,7Z,10Z,11aR)-6-formyl-10-methyl-3-methylidene-2-oxo-3a,4,9,11a-tetrahydrocyclodeca[b]furan-5-yl] butanoate - CCCC(=O)O/C/1=C(/C=C\C/C(=C\[C@@H]2C(C1)C(=C)C(=O)O2)/C)\C=O	C₁₉H₂₂O₅	330.4
-	2-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)anilino]-1H-benzimidazole-4-carbaldehyde - CC1(CCN(C2=CC=CC=C21)C3=CC=CC=C3NC4=NC5=C(C=CC=C5N4)C=O)C	C₂₅H₂₄N₄O	396.5
-	(1S,9R)-11-[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one - C[C@H](C(=O)N1C[C@H]2C[C@@H](C1)C3=CC=CC(=O)N3C2)N4C=NC5=CC=CC=C5C4=O	C₂₂H₂₂N₄O₃	390.4
-	[(3aR,4S,9S,10Z,11aS)-4-acetyloxy-10-methyl-3,6-dimethylidene-2,5-dioxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate - C/C/1=C/[C@H]2[C@H]([C@@H](C(=O)C(=C)CC[C@@H]1OC(=O)C)OC(=O)C)C(=C)C(=O)O2	C₁₉H₂₂O₇	362.4
-	(3R,3aR,4aS,5R,8aR,9aR)-4a-hydroxy-5-methoxy-5,8a-dimethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one - C[C@]12CCC[C@@]([C@@]1(C[C@H]3[C@@H](C2)OC(=O)[C@H]3CN4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])O)(C)OC	C₂₆H₃₇N₃O₆	487.6
-	Isobongkrekic acid - C[C@@H](C/C=C/CC/C=C/C=C\C[C@H](/C(=C\C=C(C)C)/C)OC)/C=C/C(=C/C(=O)O)/CC(=O)O	C₂₈H₄₀O₅	456.6
-	3,5-dimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide - COC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=CC(=CC(=C4)OC)OC	C₂₅H₂₁NO₆	431.4
-	N-[(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]-L-leucine - CC(C)C[C@@H](C(=O)O)NC(=O)N1CCC2=CC(=C(C=C2C1C3=CC=CC=C3)OC)OC	C₂₄H₃₀N₂O₅	426.5
-	methyl (1R,2S,3R,6R,13S,15R,16S,17S)-3-acetyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate - CC1=C(C(=O)C[C@]2(C1C[C@@H]3[C@]45C2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)O	C₂₃H₂₈O₁₁	480.5