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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	1,4-Diphenyl-3-(phenylhydrazinylidene)butan-2-one - C1=CC=C(C=C1)CC(=NNC2=CC=CC=C2)C(=O)CC3=CC=CC=C3	C₂₂H₂₀N₂O	328.4
-	N-[(1R,9S)-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]cyclohexanecarboxamide - C1CCC(CC1)C(=O)NC2=C3[C@@H]4C[C@@H](CN(C4)C(=O)COC5=CC=CC=C5)CN3C(=O)C=C2	C₂₆H₃₁N₃O₄	449.5
-	(1R,2R,4S,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol - C1CCN2C[C@H]3C[C@H]([C@@H]2C1)CN4[C@@H]3C[C@H](CC4)O	C₁₅H₂₆N₂O	250.38
-	6-[2-(4-Methoxyphenyl)-2-oxoethoxy]-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-3-one - CC(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)C4=CC=C(C=C4)OC	C₂₇H₂₄O₅	428.5
176257-86-6	Garciduol B - COC1=C(C(=C(C(=C1)O)C(=O)C2=CC(=CC=C2)O)O)C3=CC(=C4C(=C3O)C(=O)C5=C(O4)C(=CC=C5)O)O	C₂₇H₁₈O₁₀	502.4
-	3,4,5-Trihydroxy-9H-xanthen-9-one - C1=CC2=C(C(=C1)O)OC3=C(C2=O)C=CC(=C3O)O	C₁₃H₈O₅	244.20
-	ethyl 6-bromo-2-{[4-(ethoxycarbonyl)-4-phenylpiperidin-1-yl]methyl}-5-methoxy-1-phenyl-1H-indole-3-carboxylate - CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CN4CCC(CC4)(C5=CC=CC=C5)C(=O)OCC	C₃₃H₃₅BRN₂O₅	619.5
14212-98-7	Phenyl bis(chloromethyl) phosphinate - C1=CC=C(C=C1)OP(=O)(CCl)CCl	C₈H₉Cl₂O₂P	239.03
-	4-Isopropylnaphthalene-1,6-dicarboxylic acid - CC(C)C1=C2C=C(C=CC2=C(C=C1)C(=O)O)C(=O)O	C₁₅H₁₄O₄	258.27
-	[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate - C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@H]([C@@H]([C@H]([C@@H](O6)CO)O)O)O)C)C)(C)C=O)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O	C₄₇H₇₄O₁₈	927.1