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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	7-Chloro-3-(3-iodophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one - C1C(OC2(O1)C=CC(=O)C(=C2)Cl)C3=CC(=CC=C3)I	C₁₄H₁₀ClIO₃	388.58
-	(6R)-hentriacontan-6-ol - CCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](CCCCC)O	C₃₁H₆₄O	452.8
-	(4aR)-8-acetyl-5,7-dihydroxy-3,4a,6-trimethyl-1-(3-methylquinoxalin-2-yl)-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one - CC1=C(C(=C2C(=C1O)[C@@]3(C(=CC4=C(C3=O)C(=NN4C5=NC6=CC=CC=C6N=C5C)C)O2)C)C(=O)C)O	C₂₇H₂₂N₄O₅	482.5
3558-28-9	1,3-Dimethyl-2-phenylindole - CC1=C(N(C2=CC=CC=C12)C)C3=CC=CC=C3	C₁₆H₁₅N	221.30
-	Mangromicin G - CCC[C@@H]1[C@H]2CC(=O)[C@@H](C[C@H]([C@H]3[C@H](C[C@@](O3)(CCC(=C1O)C(=O)O2)CO)C)O)C	C₂₂H₃₄O₇	410.5
-	2-(2-Chlorophenyl)-1-(2,4,6-trihydroxyphenyl)ethanone - C1=CC=C(C(=C1)CC(=O)C2=C(C=C(C=C2O)O)O)Cl	C₁₄H₁₁ClO₄	278.69
-	(1S,2R,4S,4'S,5'S,6R,7S,8R,9S,12R,13S,16R,18R)-5',7,9,13-tetramethyl-4'-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-16-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-one - C[C@H]1CO[C@@]2(C[C@@H]1O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)[C@H]([C@H]4[C@@H](O2)C[C@H]5[C@@]4(CC[C@@H]6[C@@H]5CC(=O)[C@H]7[C@]6(CC[C@H](C7)O[C@@H]8[C@H]([C@@H]([C@H]([C@@H](O8)CO[C@@H]9[C@H]([C@@H]([C@H](CO9)O)O)O)O)O)O)C)C)C	C₄₄H₇₀O₁₉	903.0
-	(2S,3S)-3-methyl-2-[[4-[[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]pentanoic acid - CC[C@H](C)[C@@H](C(=O)O)NC(=O)C1CCC(CC1)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C	C₂₄H₄₁N₃O₆	467.6
-	(1R,2S,4aS,6aR,6aR,6bS,8aS,10S,12aS,14bR)-10-hydroxy-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid - 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)O)C)C)[C@H]2[C@@H]1C)C(=O)O)C(=O)O	C₃₀H₄₆O₅	486.7
-	methyl (1S,2S,3S,6R,7S,10R,11R,12R)-2-[5-(1,3-benzodioxol-5-yl)pentyl]tetracyclo[8.2.1.03,12.06,11]trideca-4,8-diene-7-carboxylate - COC(=O)[C@H]1C=C[C@H]2C[C@H]3[C@@H]([C@H]4[C@@H]3[C@@H]2[C@H]1C=C4)CCCCCC5=CC6=C(C=C5)OCO6	C₂₇H₃₂O₄	420.5