Structure Information
Structure

Compound Identification

SMILES

COC1=C(C(Br)=C(C)C(O)=O)C2=CC=CC=C2C=C1

InChIKey

InChIKey=YAVPQDYQVKSZPX-UHFFFAOYSA-N

Formula

C15H13BrO3

Mass

321.17

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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

Coumaric acids and derivatives

Direct Parent

Coumaric acids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Cinnamic acid - Coumaric acid - Naphthalene - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Vinylogous halide - Vinyl bromide - Haloalkene - Monocarboxylic acid or derivatives - Ether - Bromoalkene - Carboxylic acid - Carboxylic acid derivative - Vinyl halide - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic homopolycyclic compound

Description

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

External Descriptors

Not available

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