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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(1R,2R)-1-aminopropane-1,2,3-tricarboxylic acid - C([C@H]([C@H](C(=O)O)N)C(=O)O)C(=O)O	C₆H₉NO₆	191.14
-	(3S,5R)-5-[(11R)-11-hydroxy-11-[(2S,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one - CCCCCCCCCCCC[C@@H]([C@H]1CC[C@H](O1)[C@@H](CCCCCC(=O)CCCC[C@@H]2C[C@H](C(=O)O2)CC(=O)C)O)O	C₃₅H₆₂O₇	594.9
184651-77-2	Nonatetracontan-5-one - CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCC	C₄₉H₉₈O	703.3
-	(1S,4R,5R,9S,10S,13S,15S,16S)-16-acetyloxy-5,9-dimethyl-15-[(Z)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid - C/C=C(/C)\C(=O)O[C@H]1C(=C)[C@@H]2CC[C@@H]3[C@]1([C@H]2OC(=O)C)CC[C@@H]4[C@]3(CCC[C@@]4(C)C(=O)O)C	C₂₇H₃₈O₆	458.6
-	(8R)-5-methoxy-2,2-dimethyl-8-phenyl-8H-pyrano[3,2-g]chromene-6,7-diol - CC1(C=CC2=C(C3=C(C=C2O1)O[C@@H](C(=C3O)O)C4=CC=CC=C4)OC)C	C₂₁H₂₀O₅	352.4
29750-44-5	2-Ethylquinoxaline - CCC1=NC2=CC=CC=C2N=C1	C₁₀H₁₀N₂	158.20
-	(2S)-N-[(2-chlorophenyl)methyl]-1-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-5-oxopyrrolidine-2-carboxamide - COC1=C(C2=C(C=C1)[C@H](OC2=O)N3[C@@H](CCC3=O)C(=O)NCC4=CC=CC=C4Cl)OC	C₂₂H₂₁ClN₂O₆	444.9
-	(1S,2R)-2-(4-hydroxyphenyl)-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),9,11,13,15-pentaene-4,6,17-trione - CN1C2=C([C@H]([C@H]3C(=N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)O)C(=O)N(C1=O)C	C₂₂H₁₇N₃O₄	387.4
-	[(1R,4R,9S,10S,11S,13S)-11-hydroxy-5,5-dimethyl-14-methylidene-15-oxo-9-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate - CC(=O)OC[C@@]12CCCC([C@H]1CC[C@]34[C@H]2[C@H](C[C@H](C3)C(=C)C4=O)O)(C)C	C₂₂H₃₂O₄	360.5
-	2-amino-9-[(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-[(2R)-2-hydroxy-3-(4-methoxyphenyl)propyl]purin-6-one - COC1=CC=C(C=C1)C[C@H](CN2C(=O)C3=C(N=C2N)N(C=N3)[C@@H]4C[C@@H]([C@@H](O4)CO)O)O	C₂₀H₂₅N₅O₆	431.4