Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OP(=O)(CC1=CC=C(C=C1)[C@@H](CC=C)CC(O)=O)OC(C)(C)C

InChIKey

InChIKey=JXGIGONRWOLQOS-SFHVURJKSA-N

Formula

C21H33O5P

Mass

396.464

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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 - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Medium-chain fatty acid - Dialkyl alkylphosphonate - Phosphonic acid diester - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Phosphonic acid ester - Organophosphonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organophosphorus compound - Organooxygen 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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