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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	1-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-methylpropan-1-one - CC(C)C(=O)N1CCC2(CC1)C3=CC=CN3C4=C(N2)C=C(C=C4)OC	C₂₀H₂₅N₃O₂	339.4
-	3-methoxy-4-[(2'S,3'R,4R,4'S,5'S)-3',4',5',8-tetrahydroxy-7,9-dimethoxy-1-oxospiro[5,6-dihydro-3H-2-benzoxocine-4,6'-oxane]-2'-yl]oxybenzoic acid - COC1=C(C=CC(=C1)C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@]3(O2)CCC4=C(C(=C(C=C4C(=O)OC3)OC)O)OC)O)O)O	C₂₅H₂₈O₁₃	536.5
-	3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylphenyl)methyl]benzamide - CC1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)C3=CN=C(N=C3)OC4=CC=C(C=C4)OC	C₂₆H₂₃N₃O₃	425.5
-	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-cycloheptylpentanamide - C1CCCC(CC1)NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3	C₁₇H₂₉N₃O₂S	339.5
-	(4-ethyl-2-oxochromen-7-yl) (2R)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate - CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NS(=O)(=O)C5=CC=C(C=C5)C	C₂₉H₂₆N₂O₆S	530.6
-	(1R,2R)-1,2-dihydroacenaphthylene-1,2-dicarboxylic acid - C1=CC2=C3C(=C1)[C@@H]([C@H](C3=CC=C2)C(=O)O)C(=O)O	C₁₄H₁₀O₄	242.23
-	(1R,2R,7R,10R,12R,13S,14R,16S,19R,20R)-19-(furan-3-yl)-12-hydroxy-9,9,13-trimethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,11,17-trione - C[C@@]12[C@H](CC[C@H]3[C@]14[C@H](O4)C(=O)O[C@H]3C5=COC=C5)[C@@]67COC(=O)C[C@H]6OC([C@@H]7C(=O)[C@@H]2O)(C)C	C₂₅H₂₈O₉	472.5
57361-83-8	Glyceryl 2-isostearate - CC(C)CCCCCCCCCCCCCCC(=O)OC(CO)CO	C₂₁H₄₂O₄	358.6
-	3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-[[(2S)-2-methylpiperidin-1-yl]methyl]chromen-4-one - C[C@H]1CCCCN1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)O	C₂₄H₂₅NO₅	407.5
-	2-[(1R,5R)-2-[(1aS,4aS,7S,8aR)-7-hydroxy-4a-methyl-4-oxo-5,6,7,8-tetrahydro-1aH-naphtho[1,8a-b]oxiren-3-yl]-1-methyl-5-[(2R)-6-methylheptan-2-yl]cyclopentyl]acetaldehyde - C[C@H](CCCC(C)C)[C@H]1CCC([C@]1(C)CC=O)C2=C[C@H]3[C@@]4(O3)C[C@H](CC[C@@]4(C2=O)C)O	C₂₇H₄₂O₄	430.6