4-CAFFEOYLQUINIC-ACID

Structure

2D structure of 4-CAFFEOYLQUINIC-ACID
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 12305664

Names and identifiers

Name

4-CAFFEOYLQUINIC-ACID

IUPAC name

(3S,5S)-4-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,3,5-trihydroxycyclohexane-1-carboxylic acid

SMILES

C1[C@@H](C([C@H](CC1(C(=O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O

General information

Molecular formula

C16H18O9

Molecular weight

354.31 g/mol

Monoisotopic mass

354.0951 Da

Classification

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Betonica officinalis L. - -
List, P.H. and Horhammer, L., Hager's Handbuch der Pharmazeutischen Praxis, Vols. 2-6, Springer-Verlag, Berlin, 1969-1979.