Structure Information
Structure

Compound Identification

SMILES

CC(C)NCC(COC1=CC=CC=C1CC=C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O

InChIKey

InChIKey=BALXTVIXZJOBOI-ZURLMRQQSA-N

Formula

C21H31NO8

Mass

425.478

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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 - Glycosyl compound - O-glycosyl compound - Phenoxy compound - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Monosaccharide - Oxane - Pyran - Benzenoid - Secondary alcohol - Amino acid or derivatives - Amino acid - Secondary amine - Polyol - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Oxacycle - Amine - Organonitrogen compound - Organopnictogen compound - Organic oxide - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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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