Compound Identification
SMILES
[Ba++].CC([O-])=O.CC12CC(O)C3C(CCC4CC(CCC34C)OC3OC(C(O)C(O)C3O)C([O-])=O)C1CCC2C(=O)CO
InChIKey
InChIKey=WOUXHJOCLKZMBF-UHFFFAOYSA-L
Formula
C29H44BaO12
Mass
721.986
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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
-
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
21-hydroxysteroids 20-oxosteroids Pregnane steroids 11-hydroxysteroids O-glucuronides O-glycosyl compounds Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Acetate salts Alpha-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Carboxylic acids Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Polyols Hydrocarbon derivatives Organic zwitterions Organic oxides Organic salts Primary alcohols
Molecular Framework
Not available
Substituents
Steroid-glucuronide-skeleton - 21-hydroxysteroid - 20-oxosteroid - Pregnane-skeleton - Hydroxysteroid - Oxosteroid - 11-hydroxysteroid - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Beta-hydroxy acid - Pyran - Hydroxy acid - Oxane - Monosaccharide - Alpha-hydroxy ketone - Cyclic alcohol - Acetate salt - Secondary alcohol - Carboxylic acid salt - Ketone - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Acetal - Polyol - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Primary alcohol - Organooxygen compound - Alcohol - Organic salt - Organic zwitterion - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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