Structure Information
Structure

Compound Identification

SMILES

O=C(OCC1=CC=CC=C1)[C@H]1O[C@H](O[C@H]2[C@H](OCC3=CC=CC=C3)[C@@H](COCC3=CC=CC=C3)O[C@@H](OCC3=CC=CC=C3)[C@@H]2OCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@@H]1OCC1=CC=CC=C1

InChIKey

InChIKey=XUTRXYMECUMMLI-FQDOMVOCSA-N

Formula

C68H68O12

Mass

1077.28

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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 - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzyloxycarbonyl - Benzylether - Monocyclic benzene moiety - Benzenoid - Pyran - Oxane - Carboxylic acid ester - Organoheterocyclic compound - Ether - Oxacycle - Dialkyl ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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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