Structure Information
Structure

Compound Identification

SMILES

[2H]C([2H])([2H])OC1=C(C)C2=C(C(=O)OC2)C(O)=C1CC=C(C)CCC(=O)O[C@@H]1OC([C@@H](O)C(O)[C@@H]1O)C(O)=O

InChIKey

InChIKey=QBMSTEZXAMABFF-SRFXNXIWSA-N

Formula

C23H28O12

Mass

499.483

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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 heteropolycyclic compounds

Substituents

1-o-glucuronide - O-glucuronide - Isobenzofuranone - Phthalide - Isocoumaran - Tricarboxylic acid or derivatives - Anisole - Alkyl aryl ether - Beta-hydroxy acid - Fatty acid ester - Fatty acyl - Hydroxy acid - Benzenoid - Monosaccharide - Pyran - Oxane - Vinylogous acid - Secondary alcohol - Lactone - Carboxylic acid ester - Acetal - Organoheterocyclic compound - Ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Polyol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - Aromatic heteropolycyclic 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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