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CAS No.	英文名/中文名/SMILES	分子式	分子量
82597-81-7	Agroclavine I - CC1=C[C@@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C	C₁₆H₁₈N₂	238.33
-	[(2R,3S,4R,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate - C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O	C₃₀H₂₆O₁₃	594.5
-	(3S,5R,6R,10R,13R,15R,17R)-17-[(E,2R,6S)-6,7-dihydroxy-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,15-tetrol - C[C@H](/C=C/C[C@@](C)(CO)O)[C@H]1C[C@H](C2[C@@]1(CCC3C2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C)O	C₂₇H₄₆O₆	466.6
-	(3R,6S)-3-(6-bromo-1H-indol-3-yl)-6-(1H-indol-3-yl)piperazin-2-one - C1[C@@H](NC(=O)[C@H](N1)C2=CNC3=C2C=CC(=C3)Br)C4=CNC5=CC=CC=C54	C₂₀H₁₇BRN₄O	409.3
4685-14-7	Paraquat - C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C	C₁₂H₁₄N₂+₂	186.25
372478-61-0	Phenol, 3,5-dibromo-2-(2,4-dibromo-6-methoxyphenoxy)- - COC1=C(C(=CC(=C1)Br)Br)OC2=C(C=C(C=C2Br)Br)O	C₁₃H₈BR₄O₃	531.8
-	(10R,14R)-10-(2-cyclohexylethyl)-2-hydroxy-3-methoxy-14-phenyl-12,13-didehydro-6,10,11,14-tetrahydro-5H-benzo[12]annulene-7,9-dione - COC1=C(C=C2[C@@H](C#CC[C@H](C(=O)CC(=O)CCC2=C1)CCC3CCCCC3)C4=CC=CC=C4)O	C₃₁H₃₆O₄	472.6
-	(2R)-2-methyl-4-[(Z,2S,8R,15R,16S)-2,8,15,16-tetrahydroxytriacont-11-enyl]-2H-furan-5-one - CCCCCCCCCCCCCC[C@@H]([C@@H](CC/C=C\CC[C@@H](CCCCC[C@@H](CC1=C[C@H](OC1=O)C)O)O)O)O	C₃₅H₆₄O₆	580.9
-	[(3aS,4S,5aR,6S,9aS,9bR)-4-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-6-yl] 2-(hydroxymethyl)prop-2-enoate - C[C@@]12C[C@@H]([C@H]3[C@@H]([C@H]1C(=C)CC[C@@H]2OC(=O)C(=C)CO)OC(=O)C3=C)O	C₁₉H₂₄O₆	348.4
-	(2Z,4E,7S,8R)-7,8-dihydroxy-2-[(E)-prop-1-enyl]deca-2,4,9-trienoic acid - C/C=C/C(=C/C=C/C[C@@H]([C@@H](C=C)O)O)/C(=O)O	C₁₃H₁₈O₄	238.28