4-O-p-Coumaroylquinic acid
HIT218262303
sdf文件结构编辑类似物检索
HIT ID: HIT218262303
Cas No: 53539-37-0
分子式: C16H18O8
分子量: 338.312
常用名: 4-O-p-Coumaroylquinic acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
IUPAC: (1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
SMILES: O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)C=Cc1ccc(O)cc1)C(O)=O
SMILES: O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)C=Cc1ccc(O)cc1)C(O)=O
InChI key: XWRHBGVVCOSNKO-NCZKRNLISA-N
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