Structure Information
Structure

Compound Identification

SMILES

CCCC[C@@H]1[C@@H](C=O)[C@@]1(C(C)=O)C(=O)OCC

InChIKey

InChIKey=MBHQZJAQGUHFBJ-WZRBSPASSA-N

Formula

C13H20O4

Mass

240.299

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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

Aliphatic homomonocyclic compounds

Substituents

Fatty acid ester - Beta-keto acid - Fatty acyl - Cyclopropanecarboxylic acid or derivatives - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic 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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