Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=C(\C=C\C(=O)O[C@H](C(O)=O)[C@](O)(CC2=CC=C(O)C=C2)C(O)=O)C=C1

InChIKey

InChIKey=WBGMKAAMRFEBHK-PZTMCFHLSA-N

Formula

C21H20O10

Mass

432.381

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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

Not available

Direct Parent

Coumaric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Cinnamic acid ester - Coumaric acid or derivatives - 3-phenylpropanoic-acid - Methoxyphenol - Tricarboxylic acid or derivatives - Phenol ether - Anisole - Methoxybenzene - Styrene - Phenoxy compound - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Fatty acid ester - 1-hydroxy-4-unsubstituted benzenoid - Alpha-hydroxy acid - Fatty acyl - Monosaccharide - Benzenoid - Monocyclic benzene moiety - Hydroxy acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Ether - Organic oxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

External Descriptors

Not available

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