Structure Information
Structure

Compound Identification

SMILES

CC(C)=CCC(C(C)=O)C(=O)O[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)[C@H]1COC(C)(C)O1

InChIKey

InChIKey=MKGZAOWMYBPKLV-ZRAUNAMOSA-N

Formula

C21H32O8

Mass

412.479

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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 heteropolycyclic compounds

Substituents

Beta-keto acid - Ketal - Fatty acid ester - Monosaccharide - 1,3-dicarbonyl compound - Fatty acyl - Oxolane - Meta-dioxolane - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Aliphatic heteropolycyclic 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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