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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	[(1R,2S,4R,6S,8S,9R,10S,11S,13S,15S)-2,8,15-triacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate - CC(=O)O[C@H]1C[C@@H]2C[C@]3([C@@H]1[C@]4([C@H](C[C@@H]3OC(=O)C)C([C@H](C[C@@H]4OC(=O)C)O)(C)C)C)[C@H](C2=C)OC(=O)C	C₂₈H₄₀O₉	520.6
-	(8R,9S,10R,13R,14R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione - C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]2C(=O)C[C@@]4([C@@H]3CC[C@@]4(C(=O)CO)O)C	C₂₁H₂₈O₅	360.4
-	2-[(1S,4S,5S)-4-(acetamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-benzyl-N-methylacetamide - CC1=C[C@H]([C@@H](C[C@H]1CC(=O)N(C)CC2=CC=CC=C2)C(C)C)CNC(=O)C	C₂₃H₃₄N₂O₂	370.5
-	methyl (1S,4S,5R,9R,10R,12R,13S)-13-ethenyl-5,9,13-trimethyl-15-oxatetracyclo[10.2.1.01,10.04,9]pentadecane-5-carboxylate - C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@@H]2C[C@@H](O3)[C@](C4)(C)C=C)(C)C(=O)OC	C₂₁H₃₂O₃	332.5
-	8,10-Dihydroxy-1-methyl-4a-(3-methylbut-2-enyl)-3-prop-1-en-2-yl-3,4-dihydropyrano[4,3-c][1]benzoxepine-5,11-dione - CC1=C2C(=O)C3=C(C=C(C=C3OC(=O)C2(CC(O1)C(=C)C)CC=C(C)C)O)O	C₂₂H₂₄O₆	384.4
-	5,8a-Dimethyl-3-propan-2-ylidene-1,2,5,6,7,8-hexahydronaphthalen-2-ol - CC1CCCC2(C1=CC(=C(C)C)C(C2)O)C	C₁₅H₂₄O	220.35
-	methyl (1S,2S,4aS,6aR,6aR,6bS,8aR,10S,12aS,14bR)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate - C[C@H]1CC[C@@]2(CC[C@]3(C(=CC[C@H]4[C@@]3(CC[C@@H]5[C@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@H]2[C@H]1C)C)C(=O)OC	C₃₃H₅₂O₄	512.8
106400-81-1	Lometrexol - C1[C@H](CNC2=C1C(=O)NC(=N2)N)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C₂₁H₂₅N₅O₆	443.5
-	(1S,9R,12S,19S)-12-ethyl-8-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-triene - CC[C@@]12CCCN3[C@@H]1[C@@]4(CC3)[C@@H](CC2)N(C5=CC=CC=C45)O	C₁₉H₂₆N₂O	298.4
-	(2R)-2-[(6S,7S)-7-hydroxy-6-methyloctyl]-2H-furan-5-one - C[C@@H](CCCCC[C@@H]1C=CC(=O)O1)[C@H](C)O	C₁₃H₂₂O₃	226.31