Structure Information
Structure

Compound Identification

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C]4[CH-]C([H])(CC[C@]4(C(O)=O)[C@@]3([H])C([H])(O)C[C@]12C)[O+](C1([H])OC([H])(CO)C([H])(O)C([H])(O)C1([H])O)S(O)(=O)=O)OC1([H])OC([H])(C(O)=O)C([H])(O)C([H])(O)C1([H])O

InChIKey

InChIKey=KCCMFFKMZWIIOH-JYQXWSPOSA-N

Formula

C31H47O19S

Mass

755.76

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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 - Sulfated steroid skeleton - 19-oxosteroid - 19-hydroxysteroid - Androstane-skeleton - 11-hydroxysteroid - Oxosteroid - Hydroxysteroid - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - O-glycosyl compound - Glycosyl compound - Monosaccharide sulfate - Beta-hydroxy acid - Alkyl sulfate - Sulfate-ester - Pyran - Oxane - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - 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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