3-CAFFEOYL-QUINIC-ACID-METHYL-ESTER

Structure

2D structure of 3-CAFFEOYL-QUINIC-ACID-METHYL-ESTER
2D structure
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3D model

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

Names and identifiers

Name

3-CAFFEOYL-QUINIC-ACID-METHYL-ESTER

IUPAC name

methyl (1R,3S,4S,5S)-1,3,4-trihydroxy-5-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylate

SMILES

C1[C@@H]([C@@H]([C@H](C[C@]1(C(=O)OC)O)OC(C=CC2=CC=C(C=C2)O)=O)O)O

General information

Molecular formula

C17H20O8

Molecular weight

352.34 g/mol

Monoisotopic mass

352.1158 Da

Classification

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

Plants with the compound

Plant Plant part Amount Reference
Lonicera japonica Thunb. flower 100 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.