CIS-CHLOROGENIC-ACID

Structure

2D structure of CIS-CHLOROGENIC-ACID
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 1794425

Names and identifiers

Name

CIS-CHLOROGENIC-ACID

IUPAC name

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

SMILES

C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C\C2=CC(=C(C=C2)O)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
Pyrus communis L. subsp. pyraster (L.) Ehrh. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.