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CAS No.	英文名/中文名/SMILES	分子式	分子量
83013-86-9	6'-O-Galloylsalidroside 6'-O-没食子酰红景天苷 C1=CC(=CC=C1CCOC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O	C₂₁H₂₄O₁₁	452.4
921769-65-5	2',3'-O-Carbonyl-5'-deoxy-5-fluoro-N4-(pentyloxycarbonyl)cytidine 卡培他滨 USP杂质C CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C3C(C(O2)C)OC(=O)O3	C₁₆H₂₀FN₃O₇	385.34
106055-13-4	Hortiamide Hortiamide CC(=CCOC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2)C	C₂₀H₂₃NO₂	309.4
110078-47-2	1,4,8,11-Tetraazacyclotetradecane, 1,1'-[1,4-phenylenebis(Methylene)]bis[4,8,11-tris[(4-Methylphenyl)sulfon yl]- 1,1'-[1,4-亚苯基双(亚甲基)]双[4,8,11-三[(4-甲基苯基)磺酰基]-1,4,8,11-四氮杂环十四烷 CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCN(CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)CC5=CC=C(C=C5)CN6CCCN(CCN(CCCN(CC6)S(=O)(=O)C7=CC=C(C=C7)C)S(=O)(=O)C8=CC=C(C=C8)C)S(=O)(=O)C9=CC=C(C=C9)C	C₇₀H₉₀N₈O₁₂S₆	1427.9
126722-26-7	Pumiloside 短小蛇根草苷 C=CC1C2CC3C4=C(CN3C(=O)C2=COC1OC5C(C(C(C(O5)CO)O)O)O)C(=O)C6=CC=CC=C6N4	C₂₆H₂₈N₂O₉	512.5
133164-11-1	4-[(2S)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one 水合氧化前胡素 CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O	C₁₆H₁₆O₆	304.29
136083-92-6	Onjixanthone I Onjixanthone I COC1=C(C(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)OC)OC	C₁₆H₁₄O₆	302.28
142217-78-5	(1S,2S,3S,5S)-3-(benzyloxy)-5-(6-(benzyloxy)-2-(((4-methoxyphenyl)diphenylmethyl)amino)-9H-purin-9-yl)-2-((benzyloxy)methyl)cyclopentanol (2R,3S,5S)-3-苄氧基-5-[2-[[(4-甲氧基苯基)二苯基甲基]氨基]-6-苄氧基-9H-嘌呤-9-基]-2-苄氧基甲基环戊醇 COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC5=C(C(=N4)OCC6=CC=CC=C6)N=CN5C7CC(C(C7O)COCC8=CC=CC=C8)OCC9=CC=CC=C9	C₅₂H₄₉N₅O₅	824.0
142449-89-6	Vitisin A vitisin A C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)C=CC8=C9C(C(OC9=CC(=C8)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O	C₅₆H₄₂O₁₂	906.9
14787-34-9	5-Hydroxy-3,6,7,4'-tetramethoxyflavone 5-Hydroxy-3,6,7,4'-tetramethoxyflavone COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC	C₁₉H₁₈O₇	358.3