Structure Information
Structure

Compound Identification

SMILES

CCCCC(=CC1=CC(I)=C(O)C(I)=C1)C(O)=O

InChIKey

InChIKey=PIJGDTRFPXAHKY-UHFFFAOYSA-N

Formula

C13H14I2O3

Mass

472.061

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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

Hydroxycinnamic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Hydroxycinnamic acid - Coumaric acid or derivatives - Coumaric acid - Cinnamic acid - Medium-chain fatty acid - 2-iodophenol - 2-halophenol - Phenol - Iodobenzene - Hydroxy fatty acid - Halogenated fatty acid - Halobenzene - Branched fatty acid - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as hydroxycinnamic acids. These are compounds containing an cinnamic acid where the benzene ring is hydroxylated.

External Descriptors

Not available

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