Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(CN2C=CC=C2\C=C\C(=O)CC(=O)C(O)=O)=C1

InChIKey

InChIKey=NWPAXEAOJDQTEV-BQYQJAHWSA-N

Formula

C18H17NO5

Mass

327.336

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Keto acids and derivatives

Subclass

Medium-chain keto acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Medium-chain keto acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Medium-chain keto acid - Phenol ether - Anisole - Methoxybenzene - Gamma-keto acid - 3-acylpyruvic acid - Phenoxy compound - Amino fatty acid - 1,3-diketone - Heterocyclic fatty acid - Alkyl aryl ether - Unsaturated fatty acid - Fatty acyl - Substituted pyrrole - 1,3-dicarbonyl compound - Benzenoid - Alpha-keto acid - Monocyclic benzene moiety - Acryloyl-group - Pyrrole - Alpha,beta-unsaturated ketone - Enone - Heteroaromatic compound - Alpha-hydroxy ketone - Ketone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.

External Descriptors

Not available

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