Structure Information
Structure

Compound Identification

SMILES

CC(C)COC1=C(C=C(C=C1)C1=NC(C)=C(S1)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O)C#N

InChIKey

InChIKey=ZRXRMGPMLDOOKN-UHFFFAOYSA-N

Formula

C22H24N2O9S

Mass

492.5

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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 - Hexose monosaccharide - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Benzonitrile - Phenol ether - Thiazolecarboxylic acid or derivatives - Alkyl aryl ether - Beta-hydroxy acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Oxane - Pyran - Benzenoid - Thiazole - Azole - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Polyol - Azacycle - Carboxylic acid derivative - Nitrile - Carboxylic acid - Acetal - Ether - Carbonitrile - Organic nitrogen compound - Organonitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Alcohol - Organopnictogen compound - Carbonyl group - 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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