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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]1CCC2C3CCC4=C(C=CC(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)=C4)C3CCC12C

InChIKey

InChIKey=BHYDXVJSMVVTCR-NQRZIZCBSA-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

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 (LMST05010006) : Glucuronides
KEGG (C04806) : C18 steroids (estrogens) and derivatives - Glucuronides

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