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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	Luperoside J - C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@H]2O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)C)O[C@@H]4[C@H]([C@@H]([C@H](CO4)O)O[C@@H]5[C@H]([C@@H]([C@@H](CO5)O)O)O)O)O)O)OC(=O)[C@]67CC[C@@]8(C(=CC[C@@H]9[C@]8(CC[C@@H]1[C@@]9(CC[C@H]([C@@]1(C)C=O)O[C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)C)[C@H]6CC(CC7)(C)C)C)C)O)O)O)O	C₇₅H₁₁₈O₃₉	1643.7
791807-02-8	Desepoxyhypothemycin - C[C@H]1C/C=C\C(=O)[C@H]([C@H](CCCC2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O	C₁₉H₂₄O₇	364.4
-	3,8-dihydroxy-1-methyl-9,10-dioxo-6-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-2-carboxylic acid - CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=CC(=C3)O[C@H]4[C@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)O	C₂₂H₂₀O₁₂	476.4
-	9-phenyl-1-[2,4,6-trihydroxy-3-[(2S,4S)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]nonan-1-one - C1[C@@H](C2=C(C=C(C=C2)O)O[C@@H]1C3=CC=C(C=C3)O)C4=C(C(=C(C=C4O)O)C(=O)CCCCCCCCC5=CC=CC=C5)O	C₃₆H₃₈O₇	582.7
-	(9S,11S)-3-but-2-ynyl-9-(2-methylpropyl)-N-prop-2-enyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide - CC#CCN1C=C2C[C@H](N[C@H](C3=C2C1=CC=C3)CC(C)C)C(=O)NCC=C	C₂₃H₂₉N₃O	363.5
-	(3S,8S,9S,10R,13S,14S,16R,17R)-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol - C[C@@H]([C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)[C@@H](CCC(C)C)O	C₂₇H₄₆O₃	418.7
-	2-[4-(Allyloxy)phenyl]-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one - CC(C)C12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)OCC=C)C(C)C	C₂₃H₃₂N₂O₂	368.5
-	(2S)-2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid - CC(=O)N[C@@H](CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)O	C₁₅H₂₀Cl₂N₂O₃	347.2
-	[(2E,6E)-3-(acetyloxymethyl)-7-methyl-9-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl] acetate - CC1=CCCC([C@@H]1CC/C(=C/CC/C(=C\COC(=O)C)/COC(=O)C)/C)(C)C	C₂₄H₃₈O₄	390.6
-	(1S,2R,5R,6S,7R,8R)-6-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.01,5]undecan-8-ol - C[C@@H]1CC[C@@H]2[C@]13CC[C@@]([C@H](C3)[C@@]2(C)CO)(C)O	C₁₅H₂₆O₂	238.37