Chem
J-GLOBAL ID：200907042614292029   Nikkaji number：J2.773.204F

1-Caffeoyl-4-deoxyquinic acid

1-カフェオイル-4-デオキシキナ酸
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： C16H18O8
Molecular formula furigana： C16-H18-O8
Molecular weight： 338.312
InChI： InChI=1S/C16H18O8/c17-10-6-11(18)8-16(7-10,15(22)23)24-14(21)4-2-9-1-3-12(19)13(20)5-9/h1-5,10-11,17-20H,6-8H2,(H,22,23)
InChI key： IQRPXVABWMLCMZ-UHFFFAOYSA-N
SMILES： OC1CC(O)CC(C1)(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O
Systematic name  (3)：
  • 1-[3-(3,4-ジヒドロキシフェニル)プロペノイルオキシ]-3,5-ジヒドロキシシクロヘキサンカルボン酸
  • 1-{[3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]オキシ}-3,5-ジヒドロキシシクロヘキサン-1-カルボン酸
  • 1-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,5-dihydroxycyclohexane-1-carboxylic acid
Other name (3)：
  • 1-[3-(3,4-Dihydroxyphenyl)propenoyloxy]-3,5-dihydroxycyclohexanecarboxylic acid
  • 1-Caffeoyl-4-deoxyquinic acid
  • 1-カフェオイル-4-デオキシキナ酸
CAS registry number： 153444-59-8
KEGG COMPOUND： C10432
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM