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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	6-methyl-4-(piperidin-1-ylmethyl)-2H-chromen-2-one - CC1=CC2=C(C=C1)OC(=O)C=C2CN3CCCCC3	C₁₆H₁₉NO₂	257.33
-	(12bS)-7-[3-methoxy-4-(propan-2-yloxy)phenyl]-12b-methyl-2-propyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione - CCCN1CC(=O)N2CC(C3=C([C@]2(C1=O)C)NC4=CC=CC=C43)C5=CC(=C(C=C5)OC(C)C)OC	C₂₈H₃₃N₃O₄	475.6
-	ethyl [(4-oxo-3-phenoxy-4H-chromen-7-yl)oxy]acetate - CCOC(=O)COC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3	C₁₉H₁₆O₆	340.3
-	N-[2-(5-Chloro-1H-indol-3-YL)ethyl]-N'-(4-hydroxyphenyl)ethanediamide - C1=CC(=CC=C1NC(=O)C(=O)NCCC2=CNC3=C2C=C(C=C3)Cl)O	C₁₈H₁₆ClN₃O₃	357.8
-	(3aR)-N-[4-(acetylamino)phenyl]-1,5-dioxo-4-propyl-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide - CCCN1C(=O)C2=CC=CC=C2N3[C@]1(CCC3=O)C(=O)NC4=CC=C(C=C4)NC(=O)C	C₂₃H₂₄N₄O₄	420.5
-	1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-(1-methylindol-3-yl)prop-2-en-1-one - CN1CCC2=C(C1)C(=C3C(=C2C(=O)C=CC4=CN(C5=CC=CC=C54)C)OCO3)OC	C₂₄H₂₄N₂O₄	404.5
60137-06-6	Cucurbitacins - C[C@H]1[C@H]2[C@@H](C[C@@]3([C@@]2(CC(=O)[C@@]4([C@H]3CC=C5[C@H]4C=C(C(=O)C5(C)C)O)C)C)C)O[C@@H](CC1=O)C(C)(C)O	C₃₀H₄₂O₆	498.6
-	PC(22:1(13Z)/20:1(11Z)) - CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCC	C₅₀H₉₆NO₈P	870.3
-	(2E,4E,6E,10E,13S,14S,15R,16E,18E,20E,22E,24E,26E,33S,35R,36E,39S,41R,43S,44E,47R,49S,50E,53R,55S)-58-(diaminomethylideneamino)-13,15,33,35,39,41,43,47,49,53,55-undecahydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxyoctapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acid - C[C@@H]([C@@H](/C=C/C=C/C=C/C=C/C=C/C=C/CC(C(C)C(=O)C[C@H](C[C@H](/C=C/C[C@@H](C[C@H](C[C@@H](/C=C/C[C@H](C[C@@H](/C=C/C[C@H](C[C@H](CCCN=C(N)N)O)O)O)O)O)O)O)O)O)OS(=O)(=O)O)O)[C@H](C(C)/C=C/CC/C=C/C=C/C=C(\C)/C(=O)O)O	C₆₃H₉₉N₃O₁₈S	1218.5
14257-69-3	beta-D-glucosamine - C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O	C₆H₁₃NO₅	179.17