Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@](O)(CC(C)=O)C1=CC=CS1

InChIKey

InChIKey=DAABWFUVWSIMDT-SNVBAGLBSA-N

Formula

C10H12O4S

Mass

228.26

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Keto acids and derivatives

Subclass

Gamma-keto acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Gamma-keto acids and derivatives

Alternative Parents

Fatty acid esters Beta-hydroxy ketones Thiophenes Tertiary alcohols Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Aromatic alcohols

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Gamma-keto acid - Fatty acid ester - Beta-hydroxy ketone - Fatty acyl - Heteroaromatic compound - Methyl ester - Thiophene - Tertiary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Aromatic alcohol - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.

External Descriptors

Not available

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