Structure Information
Structure

Compound Identification

SMILES

CC12CC(=O)C3C(CCC4CC(CCC34C)OC3OC(C(O)C(O)C3O)C([O-])=O)C1CCC2=O

InChIKey

InChIKey=QTXWOOLAHRQMGZ-UHFFFAOYSA-M

Formula

C25H35O9

Mass

479.547

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroidal glycosides

Intermediate Tree Nodes

Not available

Direct Parent

Steroid glucuronide conjugates

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Steroid-glucuronide-skeleton - Androstane-skeleton - Oxosteroid - 17-oxosteroid - 11-oxosteroid - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Beta-hydroxy acid - Hydroxy acid - Monosaccharide - Pyran - Oxane - Carboxylic acid salt - Ketone - Secondary alcohol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Acetal - Carboxylic acid derivative - Polyol - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aldehyde - Organooxygen compound - Organic anion - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as steroid glucuronide conjugates. These are sterol lipids containing a glucuronide moiety linked to the steroid skeleton.

External Descriptors

Not available

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