Chem
J-GLOBAL ID：200907009810140035   Nikkaji number：J2.738.985F

O-Feruloylquinate

O-フェルロイルキナ酸
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： C17H20O9
Molecular formula furigana： C17-H20-O9
Molecular weight： 368.338
InChI： InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/t11-,12?,15?,17+/m1/s1
InChI key： VTMFDSJJVNQXLT-DYYNMSDZSA-N
SMILES： COc1cc(C=CC(=O)OC2C(O)C[C@@](O)(C[C@H]2O)C(=O)O)ccc1O
Systematic name  (3)：
  • 4β-[3-(4-ヒドロキシ-3-メトキシフェニル)プロペノイルオキシ]-1β,3β,5-トリヒドロキシシクロヘキサンカルボン酸
  • (1r,3R)-1,3,5-トリヒドロキシ-4-{[3-(4-ヒドロキシ-3-メトキシフェニル)プロパ-2-エノイル]オキシ}シクロヘキサン-1-カルボン酸
  • (1r,3R)-1,3,5-trihydroxy-4-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
Other name (3)：
  • 4β-[3-(4-Hydroxy-3-methoxyphenyl)propenoyloxy]-1β,3β,5-trihydroxycyclohexanecarboxylic acid
  • O-Feruloylquinate
  • O-フェルロイルキナ酸
KEGG COMPOUND： C02572
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