Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=AZNLCPMTUWGDAE-UHFFFAOYSA-N

Formula

C12H12O5

Mass

236.223

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

3-phenylpropanoic-acid - Medium-chain keto acid - Beta-keto acid - Branched fatty acid - Monocyclic benzene moiety - Beta-hydroxy ketone - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Keto acid - Ketone - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.

External Descriptors

Not available

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