Structure Information
Structure

Compound Identification

SMILES

COC(=O)C[C@H](O)C1=CN=CC=C1

InChIKey

InChIKey=ABLYLHBIEFVTES-QMMMGPOBSA-N

Formula

C9H11NO3

Mass

181.191

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Hydroxy acids and derivatives

Subclass

Beta hydroxy acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Beta hydroxy acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Beta-hydroxy acid - Fatty acid ester - Pyridine - Fatty acyl - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Aromatic alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.

External Descriptors

Not available

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