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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-7-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol - CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1CC[C@H]3[C@]2([C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C	C₄₂H₇₂O₁₃	785.0
-	methyl 3-(3-hydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)-4H-pyran-2-yl)propanoate - COC1=C(C=C(C=C1)C(CC(=O)OC)C2=C(C(=O)C=C(O2)CN3CCCCC3)O)O	C₂₂H₂₇NO₇	417.5
-	(3R,10R)-3-methyl-10-phenyl-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-ol - C[C@@H]1CN=C2[C@](C3=CC=CC=C3N2C1)(C4=CC=CC=C4)O	C₁₈H₁₈N₂O	278.3
-	1-(3,4-Dimethoxyphenyl)-2-((3-(3,4-dimethoxyphenyl)benzofuran-5-yl)oxy)ethanone - COC1=C(C=C(C=C1)C2=COC3=C2C=C(C=C3)OCC(=O)C4=CC(=C(C=C4)OC)OC)OC	C₂₆H₂₄O₇	448.5
-	CID 51451259 - C[C@]12CCC3(CC1=CC[C@H]4[C@@H]2CC[C@]5([C@@H]4CC[C@]56CN(C7(O6)CCN(CC7)C)C)C)OCCO3	C₂₉H₄₆N₂O₃	470.7
-	[(1R,3R,4R,6R)-4-methoxy-3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] 3,5-dinitrobenzoate - C[C@]1(C[C@@H]2[C@H](C2(C)C)C[C@H]1OC)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]	C₁₈H₂₂N₂O₇	378.4
-	Methyl 13-oxooctadec-7-enoate - CCCCCC(=O)CCCCC=CCCCCCC(=O)OC	C₁₉H₃₄O₃	310.5
-	2-(4,6-Dihydroxy-8-methyl-9,10-dioxoanthracen-2-yl)-1,8-dihydroxy-3-methylanthracene-9,10-dione - CC1=CC(=CC2=C1C(=O)C3=C(C2=O)C(=CC(=C3)C4=C(C5=C(C=C4C)C(=O)C6=C(C5=O)C(=CC=C6)O)O)O)O	C₃₀H₁₈O₈	506.5
-	cyclohexyl-[(6S)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone - COC1=CC=C(C=C1)C2=NOC(=N2)[C@@H]3CC4=C(CN3C(=O)C5CCCCC5)NC=N4	C₂₂H₂₅N₅O₃	407.5
494-56-4	Ayapin - C1OC2=C(O1)C=C3C(=C2)C=CC(=O)O3	C₁₀H₆O₄	190.15