Structure Information
Structure

Compound Identification

SMILES

O[C@@H]([C@@H](O)[C@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O)[C@@H](O)C(O)=O

InChIKey

InChIKey=KJWXZHRHCSMFSY-JLIMGVALSA-N

Formula

C13H14O12

Mass

362.243

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbohydrates and carbohydrate conjugates

Intermediate Tree Nodes

Sugar acids and derivatives

Direct Parent

Glucuronic acid derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Glucuronic acid or derivatives - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Benzenetriol - Benzoic acid or derivatives - Medium-chain hydroxy acid - Pyrogallol derivative - Benzoyl - Medium-chain fatty acid - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Hydroxy fatty acid - Phenol - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Hydroxy acid - Carboxylic acid ester - Secondary alcohol - 1,2-diol - Polyol - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as glucuronic acid derivatives. These are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.

External Descriptors

Not available

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