Structure Information
Structure

Compound Identification

SMILES

OC(=O)CCC(=O)C=CC1=C(O)C=CC(Cl)=C1

InChIKey

InChIKey=GHLBYWJOCMZWEN-UHFFFAOYSA-N

Formula

C12H11ClO4

Mass

254.67

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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 and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Hydroxycinnamic acid or derivatives - Medium-chain keto acid - Gamma-keto acid - 4-halophenol - 4-chlorophenol - Styrene - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Halogenated fatty acid - Hydroxy fatty acid - Phenol - Benzenoid - Unsaturated fatty acid - Fatty acyl - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Keto acid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.

External Descriptors

Not available

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