Structure Information
Structure

Compound Identification

SMILES

OC(C(OC(=O)\C=C/C1=CC(O)=C(O)C=C1)C(O)=O)C(O)=O

InChIKey

InChIKey=SWGKAHCIOQPKFW-RQOWECAXSA-N

Formula

C13H12O9

Mass

312.23

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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 - Tricarboxylic acid or derivatives - Styrene - Catechol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Sugar acid - Fatty acid ester - Phenol - Beta-hydroxy acid - Fatty acyl - Benzenoid - Hydroxy acid - Alpha-hydroxy acid - Monosaccharide - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Alcohol - Carbonyl group - 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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