Structure Information
Structure

Compound Identification

SMILES

O[C@H]1[C@H](O)[C@@H](OC(=O)c2ccccc2O)O[C@H]([C@@H]1O)C(O)=O

InChIKey

InChIKey=IXVVXKRKCLJCKA-OAZVDXGHSA-N

Formula

C13H14O9

Mass

314.246

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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 - Glucuronic acid derivatives - Glucuronides

Direct Parent

O-glucuronides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1-o-glucuronide - O-glucuronide - O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Beta-hydroxy acid - Pyran - Hydroxy acid - Monosaccharide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Oxane - Vinylogous acid - Secondary alcohol - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.

External Descriptors

Not available

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