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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-isobutylacetamide - CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)NCC(C)C	C₁₆H₁₉NO₅	305.32
-	4-(3-hydroxy-4-methoxyphenyl)-1-methyl-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-7-ol - CN1C2=NC3=C4C=CC(=O)C=C4OC3=C(C2=CN1)C5=CC(=C(C=C5)OC)O	C₂₀H₁₅N₃O₄	361.3
-	1-[(2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-phenylpropanoyl]-L-prolyl-L-alanine - C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4NC3=O	C₂₅H₂₆N₄O₆	478.5
-	(S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl 3-((benzamidomethyl)thio)-2-((tert-butoxycarbonyl)amino)propanoate - CC(C)(C)OC(=O)N[C@H](CSCNC(=O)C1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC5=C(C=C4)OCCO5	C₃₃H₃₂N₂O₉S	632.7
-	4-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]-N-(4-methoxyphenyl)benzamide - C[C@@]12C3=C(CCN1C(=O)N(C2=O)C4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)OC)C6=C(N3)C=CC(=C6)OC	C₂₉H₂₆N₄O₅	510.5
-	(5E)-3-[3-oxo-3-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propyl]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione - C1CCN([C@@H](C1)C2=CN=CC=C2)C(=O)CCN3C(=O)/C(=C\C=C\C4=CC=CC=C4)/SC3=O	C₂₅H₂₅N₃O₃S	447.6
-	(3beta)-cholest-5-en-3-yl [(4-ethyl-2-oxo-2H-chromen-7-yl)oxy]acetate - CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)O[C@H]3CC[C@@]4([C@H]5CC[C@]6([C@H]([C@@H]5CC=C4C3)CC[C@@H]6[C@H](C)CCCC(C)C)C)C	C₄₀H₅₆O₅	616.9
-	(8S,21S)-27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25(33),26,28(32),35-dodecaene-13,26-diol - CN1CCC2=C3[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=CC8=C(C=C7CCN6)OC(=C3O8)C(=C2O)OC)O	C₃₄H₃₂N₂O₆	564.6
-	(2R,3R,4S,5R,6R)-2-[(E,2R)-4-[(1S,3S,5R,8R)-3-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]but-3-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol - C[C@H](/C=C/[C@@H]1[C@@]2(C[C@@H](C[C@]1(OC2)C)O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O	C₁₉H₃₂O₈	388.5
-	9-(1,3-benzodioxol-5-yl)-4-[(2R,3R,4R)-3-[(2S,3R,4R,5S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one - COC1=C(C=C2C(=C1)C(=C3C(=C2O[C@@H]4[C@@H]([C@](CO4)(CO)O)O[C@H]5[C@@H]([C@H]([C@H](CO5)O[C@H]6[C@@H]([C@](CO6)(CO)O)O)O)O)COC3=O)C7=CC8=C(C=C7)OCO8)OC	C₃₆H₄₀O₁₉	776.7