Structure Information
Structure

Compound Identification

SMILES

CC1=C(CO)C=CC=C1NC1=CC=CC=C1C(=O)OC1OC(C(O)C(O)C1O)C(O)=O

InChIKey

InChIKey=GQQNPPRHZMQONU-UHFFFAOYSA-N

Formula

C21H23NO9

Mass

433.413

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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 - Aminobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Benzyl alcohol - Aniline or substituted anilines - Aminotoluene - Beta-hydroxy acid - Toluene - Benzenoid - Dicarboxylic acid or derivatives - Hydroxy acid - Pyran - Monosaccharide - Monocyclic benzene moiety - Oxane - Vinylogous amide - Carboxylic acid ester - Secondary alcohol - Amino acid or derivatives - Amino acid - Acetal - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Polyol - Organoheterocyclic compound - Aromatic alcohol - Alcohol - Carbonyl group - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Amine - Primary 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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