Structure Information
Structure

Compound Identification

SMILES

COCCOC(=O)C(=CC1=CC(OC)=C(OCC2=CC=C(O2)C(=O)OC)C=C1)C#N

InChIKey

InChIKey=LBVZDTUVVWXBBA-UHFFFAOYSA-N

Formula

C21H21NO8

Mass

415.398

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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 heteromonocyclic compounds

Substituents

Coumaric acid or derivatives - Cinnamic acid ester - Furoic acid ester - Furoic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Furan - Heteroaromatic compound - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Nitrile - Carbonitrile - Dialkyl ether - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Aromatic heteromonocyclic 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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