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Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(Br)=CC1=CC(OC)=C(OC)C=C1

InChIKey

InChIKey=YCFDSALVJMOAFY-UHFFFAOYSA-N

Formula

C12H13BrO4

Mass

301.136

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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 - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Alpha-halocarboxylic acid or derivatives - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Bromoalkene - Haloalkene - Carboxylic acid derivative - Vinyl halide - Vinyl bromide - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Carbonyl group - Organohalogen compound - Organobromide - 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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