Compound Identification
SMILES
CC12CCC3C(CCC4=C3C=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=C4)C1CCC2OS(O)(=O)=O
InChIKey
InChIKey=XZXBPAODZJETKT-UHFFFAOYSA-N
Formula
C24H32O11S
Mass
528.57
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Steroidal glycosides
- Level 5 Steroid glucuronide conjugates
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Subclass
Steroidal glycosides
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
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 Sulfated steroids Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides O-glucuronides Phenanthrenes and derivatives Alkyl glycosides O-glycosyl compounds Tetralins Beta hydroxy acids and derivatives Oxanes Pyrans Monosaccharides Sulfuric acid monoesters Alkyl sulfates Secondary alcohols Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Carboxylic acids Polyols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Steroid-glucuronide-skeleton - Sulfated steroid skeleton - Estrane-skeleton - Phenolic glycoside - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - 1-o-glucuronide - O-glucuronide - Phenanthrene - Glucuronic acid or derivatives - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Tetralin - Beta-hydroxy acid - Sulfate-ester - Sulfuric acid monoester - Pyran - Fatty acyl - Oxane - Hydroxy acid - Monosaccharide - Alkyl sulfate - Sulfuric acid ester - Benzenoid - Organic sulfuric acid or derivatives - Secondary alcohol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Acetal - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Polyol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen 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
Not available