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Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(=O)C(C#N)C1=C(C(=O)OC)C(O)=CC=C1

InChIKey

InChIKey=JXWHLRQBBYNAEG-UHFFFAOYSA-N

Formula

C13H11NO6

Mass

277.232

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenylpyruvic acid derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyruvic acid derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Phenylpyruvate - O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Fatty acid ester - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alpha-keto acid - Keto acid - Fatty acyl - Methyl ester - Vinylogous acid - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Nitrile - Carboxylic acid derivative - Carbonitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.

External Descriptors

Not available

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