Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C4)[C@@H]1CC[C@@H]2O

InChIKey

InChIKey=MUOHJTRCBBDUOW-QXYWQCSFSA-N

Formula

C24H32O8

Mass

448.512

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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

Aromatic heteropolycyclic compounds

Substituents

Steroid-glucuronide-skeleton - Estrane-skeleton - Hydroxysteroid - 17-hydroxysteroid - Fatty acyl glycoside - Phenolic glycoside - Fatty acyl glycoside of mono- or disaccharide - 1-o-glucuronide - O-glucuronide - Phenanthrene - Glucuronic acid or derivatives - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - Tetralin - Beta-hydroxy acid - Fatty acyl - Pyran - Benzenoid - Oxane - Monosaccharide - Hydroxy acid - Cyclic alcohol - Secondary alcohol - Polyol - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Acetal - Monocarboxylic acid or derivatives - Oxacycle - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aromatic 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

CHEBI:36489 : steroid glucosiduronic acid
LIPIDMAPS (LMST05010007) : Glucuronides
KEGG (C05503) : C18 steroids (estrogens) and derivatives - Glucuronides

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