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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(1R,2S,4bR,7S,8aS)-2-ethenyl-1,7-dihydroxy-2,4b,8,8-tetramethyl-1,3,5,6,7,8a,9,10-octahydrophenanthren-4-one - C[C@@]12CC[C@@H](C([C@H]1CCC3=C2C(=O)C[C@@]([C@H]3O)(C)C=C)(C)C)O	C₂₀H₃₀O₃	318.4
-	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6S,7S,8R,9S,12S,13S,14R,16R,18R)-14-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol - C[C@@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5([C@@H](C[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)C)C)C)OC1	C₃₃H₅₄O₉	594.8
-	3-[(1R,9S)-6-oxo-11-(thiophene-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzonitrile - C1[C@H]2CN(C[C@@H]1C3=CC=C(C(=O)N3C2)C4=CC=CC(=C4)C#N)C(=O)C5=CC=CS5	C₂₃H₁₉N₃O₂S	401.5
-	[(1R,2S,5S,6S,7R,9R,12R,13R)-5-cyclopentyl-2,12,13-trihydroxy-5,9-dimethyl-13-[2-(5-oxo-2H-furan-3-yl)ethyl]-7-tricyclo[7.3.1.01,6]tridec-10-enyl] acetate - CC(=O)O[C@@H]1C[C@@]2(C=C[C@H]([C@]3([C@@H]1[C@](CC[C@@H]3O)(C)C4CCCC4)[C@]2(CCC5=CC(=O)OC5)O)O)C	C₂₈H₄₀O₇	488.6
-	6-Hydroxy-2-[(3-methoxyphenyl)methylidene]-7-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-one - CC1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)OC)C3=O)O	C₂₃H₂₅NO₄	379.4
-	(9S,10S,14R)-4-hydroxy-9,11,11-trimethyl-3-propan-2-yl-6,13-dioxatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16)-triene-7,12,15-trione - CC(C)C1=C(C2=C3C(=C1)C(=O)[C@H]4[C@@H]([C@@]3(CC(=O)O2)C)C(C(=O)O4)(C)C)O	C₂₀H₂₂O₆	358.4
106609-74-9	Benzenemethanol, alpha-((1H-purin-6-ylthio)methyl)- - C1=CC=C(C=C1)C(CSC2=NC=NC3=C2NC=N3)O	C₁₃H₁₂N₄OS	272.33
-	9,10-dimethoxy-2,4-dioxo-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinoline-1-carbaldehyde - COC1=C(C=C2C(=C1)CCN3C2=C(C(=O)NC3=O)C=O)OC	C₁₅H₁₄N₂O₅	302.28
-	7-(3,7-dimethylocta-2,6-dienoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one - CC(=CCCC(=CCOC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2)C)C	C₂₂H₂₆O₃	338.4
-	2-Amino-4-methylsulfanylhept-4-enal - CCC=C(CC(C=O)N)SC	C₈H₁₅NOS	173.28