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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(3R,5S,8S,9S,10S,13S,14R,17Z)-17-hydroxyimino-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol - C[C@]12CC[C@H](C[C@@H]1CC[C@H]3[C@@H]2CC[C@]\4([C@@H]3CC/C4=N/O)C)O	C₁₉H₃₁NO₂	305.5
-	(4R)-4-[(3S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid - C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)OC(=O)C)OC(=O)C)C	C₃₀H₄₆O₈	534.7
-	(3aR,8aS,9aR)-8a-methyl-3-methylidene-3a,4,9,9a-tetrahydrobenzo[f][1]benzofuran-2,6-dione - C[C@@]12C[C@@H]3[C@H](CC1=CC(=O)C=C2)C(=C)C(=O)O3	C₁₄H₁₄O₃	230.26
-	(1R,6S,7S,8R,10R,13R,14R)-7,8,13,14-tetrahydroxy-6,7,13-trimethyl-4,9-dioxatetracyclo[6.5.1.01,10.06,10]tetradecan-3-one - C[C@]1(CC[C@]23[C@@]14CC(=O)OC[C@]2([C@]([C@@]([C@@H]4O)(O3)O)(C)O)C)O	C₁₅H₂₂O₇	314.33
-	4-[[3-(1,2-Dihydroxyethyl)-2-[2-(4-hydroxyphenyl)ethynyl]-6-phenylphenyl]-(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one - C1=CC=C(C=C1)C2=C(C(=C(C=C2)C(CO)O)C#CC3=CC=C(C=C3)O)C(=C4C=CC(=O)C=C4)C5=CC=C(C=C5)O	C₃₅H₂₆O₅	526.6
-	(1R,2S,3R,5R)-3-(2-methylpropylamino)-5-[(4-methylsulfonylphenoxy)methyl]cyclopentane-1,2-diol - CC(C)CN[C@@H]1C[C@@H]([C@H]([C@H]1O)O)COC2=CC=C(C=C2)S(=O)(=O)C	C₁₇H₂₇NO₅S	357.5
132-42-3	5-Methyl-4-nitro-2-(4-nitro-phenyl)-2H-pyrazol-3-ol - CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]	C₁₀H₈N₄O₅	264.19
-	N-[(2R,3S,4R)-1-benzoyl-4-hydroxy-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide - C[C@]1(CCN([C@H]([C@@H]1NC(=O)C2=CC=CC=C2)C3=CC=CS3)C(=O)C4=CC=CC=C4)O	C₂₄H₂₄N₂O₃S	420.5
-	N-[(2S,3S,4R)-4-hydroxy-4-methyl-1-(3-methylbutyl)-2-phenylpiperidin-3-yl]cyclopropanecarboxamide - CC(C)CCN1CC[C@@]([C@H]([C@@H]1C2=CC=CC=C2)NC(=O)C3CC3)(C)O	C₂₁H₃₂N₂O₂	344.5
-	6,7-dimethoxy-2-(3-methoxyphenyl)-4H-3,1-benzoxazin-4-one - COC1=CC=CC(=C1)C2=NC3=CC(=C(C=C3C(=O)O2)OC)OC	C₁₇H₁₅NO₅	313.30