Structure Information
Structure

Compound Identification

SMILES

CCOC(OCC)C(=O)C(CCCCC1=CC=CC=C1)C(=O)OC(C)C

InChIKey

InChIKey=AFVCCWNLZUFKSB-UHFFFAOYSA-N

Formula

C21H32O5

Mass

364.482

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Keto acids and derivatives

Subclass

Beta-keto acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Beta-keto acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Beta-keto acid - Fatty acid ester - Monocyclic benzene moiety - Monosaccharide - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Aldehyde - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.

External Descriptors

Not available

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