Chem
J-GLOBAL ID：200907048526720140   Nikkaji number：J519.122J

4-O-p-Coumaroylquinic acid

4-O-p-クマロイルキナ酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C16H18O7
Molecular formula furigana： C16-H18-O7
Molecular weight： 322.313
InChI： InChI=1S/C16H18O7/c17-10-4-1-9(2-5-10)3-6-11(18)14-12(19)7-16(23,15(21)22)8-13(14)20/h1-6,12-14,17,19-20,23H,7-8H2,(H,21,22)/t12-,13-,14?,16-/m1/s1
InChI key： LDKXJGREMRAESV-GKDOYEIJSA-N
SMILES： O[C@@H]1C[C@](O)(C[C@@H](O)C1C(=O)C=Cc1ccc(O)cc1)C(=O)O
Systematic name  (3)：
  • 1,3β,5α-トリヒドロキシ-4β-[3-(4-ヒドロキシフェニル)アクリロイル]シクロヘキサン-1α-カルボン酸
  • (3R,5R)-1,3,5-トリヒドロキシ-4-[3-(4-ヒドロキシフェニル)プロパ-2-エノイル]シクロヘキサン-1-カルボン酸
  • (3R,5R)-1,3,5-trihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyl]cyclohexane-1-carboxylic acid
Other name (3)：
  • 4-O-p-クマロイルキナ酸
  • 4-O-p-Coumaroylquinic acid
  • 1,3β,5α-Trihydroxy-4β-[3-(4-hydroxyphenyl)acryloyl]cyclohexane-1α-carboxylic acid
Thsaurus map：
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