1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid, 5-O-Coumaroylquinic acid
HIT218679494
sdf文件结构编辑类似物检索
HIT ID: HIT218679494
Cas No:
分子式: C16H18O8
分子量: 338.312
常用名: 1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid, 5-O-Coumaroylquinic acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
SMILES: OC1CC(O)(CC(OC(=O)C=Cc2ccc(O)cc2)C1O)C(O)=O
InChI key: BMRSEYFENKXDIS-UHFFFAOYSA-N
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