Structure Information
Structure

Compound Identification

SMILES

CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1CC[C@H]2[C@@H]3CCC4=C(C=CC(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)=C4)[C@H]3CC[C@]12C

InChIKey

InChIKey=BHYDXVJSMVVTCR-YWXAGLIRSA-N

Formula

C32H45NO13

Mass

651.706

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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

Estrane steroids Fatty acyl glycosides of mono- and disaccharides N-acyl-alpha-hexosamines Phenolic glycosides O-glucuronides Phenanthrenes and derivatives Alkyl glycosides O-glycosyl compounds Tetralins Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Acetamides Secondary carboxylic acid amides Secondary alcohols Polyols Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Acetals Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Steroid-glucuronide-skeleton - Estrane-skeleton - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Phenolic glycoside - N-acyl-alpha-hexosamine - 1-o-glucuronide - O-glucuronide - Phenanthrene - Glucuronic acid or derivatives - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Tetralin - Beta-hydroxy acid - Pyran - Oxane - Hydroxy acid - Monosaccharide - Benzenoid - Fatty acyl - Acetamide - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Polyol - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Organonitrogen compound - Alcohol - 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

LIPIDMAPS (LMST05010027) : Glucuronides

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