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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(1R,2R,3R,6R,8S,12S,13S,14R,15R,16S,17R,19S)-2,3,12,15,16,17,19-heptahydroxy-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione - CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@]4([C@H](C(=O)O3)O)O)(O[C@@H]5O)O)O)O)C)O	C₁₉H₂₄O₁₁	428.4
-	[(1S,2R,3R,4S)-3-(1,3-benzodioxol-5-yl)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone - C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]([C@@H]2C(=O)N3CCCCC3)C4=CC5=C(C=C4)OCO5)/C=C/C6=CC7=C(C=C6)OCO7	C₃₂H₃₆N₂O₆	544.6
-	Genkwanol C - C1[C@@H]([C@H](OC2=C1C(=O)C=C3[C@]24[C@@]([C@H](O3)C5=CC=C(C=C5)O)(C(=O)C6=C(C=C(C=C6O4)O)O)O)C7=CC=C(C=C7)O)O	C₃₀H₂₂O₁₁	558.5
-	8-hydroxy-2-[(1R)-1-hydroxyethyl]benzo[f][1]benzofuran-4,9-dione - C[C@H](C1=CC2=C(O1)C(=O)C3=C(C2=O)C=CC=C3O)O	C₁₄H₁₀O₅	258.23
552-70-5	Granatan-3-one - CN1[C@@H]2CCC[C@H]1CC(=O)C2	C₉H₁₅NO	153.22
52387-14-1	Isovalerylshikonin - CC(C)CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O	C₂₁H₂₄O₆	372.4
-	(1S,2R,4R,8R,9S,12S,13S,16S,18S)-16-[(2S,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-19-one - CC1=C(O[C@H]2[C@@H]1[C@]3(CC[C@H]4[C@@H]([C@H]3C2)CC(=O)[C@@H]5[C@]4(CC[C@@H](C5)O[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)CO)O)O)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)CO)O)O)O)C)C)CC[C@@H](C)CO[C@@H]8[C@H]([C@@H]([C@H]([C@@H](O8)CO)O)O)O	C₄₅H₇₂O₁₉	917.0
-	Orientalol E - CC(C)[C@@]12CC[C@@](O1)([C@@H]3CC[C@]([C@H]3[C@@H]2O)(C)O)C	C₁₅H₂₆O₃	254.36
-	Chlorajapolide C, (rel)- - CC1=C2CC3=C([C@H]4C[C@H]4[C@@]3(C[C@@H]2OC1=O)C)CO	C₁₅H₁₈O₃	246.30
-	(3S,5R,7S,8S,9S,10S,13S,14S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-11,16-dione - C[C@]12CC[C@@H](C[C@@H]1C[C@@H]([C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC(=O)C4)C)O)O	C₁₉H₂₈O₄	320.4