Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=GVECSFFLZYNEBO-PDXJTRCTSA-N

Formula

C16H16O7

Mass

320.297

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Hydroxycinnamic acids and derivatives

Intermediate Tree Nodes

Hydroxycinnamic acid esters

Direct Parent

Coumaric acid esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Coumaric acid ester - Coumaric acid or derivatives - Cinnamic acid ester - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Cyclitol or derivatives - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 1,2-diol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid.

External Descriptors

CHEBI:16428 : alpha,beta-unsaturated monocarboxylic acid - cyclohexenecarboxylic acid
KEGG (C02947) : Paracoumaryl alcohol derivatives

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