Structure Information
Structure

Compound Identification

SMILES

OC1=C(O)C=C(C=C(C#N)C(=O)OCC2=CC=CC=C2COC(=O)C(=CC2=CC(O)=C(O)C=C2)C#N)C=C1

InChIKey

InChIKey=QHJMAOAJSYLWMQ-UHFFFAOYSA-N

Formula

C28H20N2O8

Mass

512.474

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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

Coumaric acid or derivatives - Cinnamic acid ester - Benzyloxycarbonyl - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Nitrile - Carbonitrile - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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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