Compound Identification
SMILES
COC(=O)C1OC(OC2CCC3(C)C(CCC4C5CCC(C(=O)CO)C5(C)CCC34)C2)C(O)C(O)C1O
InChIKey
InChIKey=UHXRPNKSNMPJSI-UHFFFAOYSA-N
Formula
C28H44O9
Mass
524.651
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 O-glucuronides O-glycosyl compounds Beta hydroxy acids and derivatives Monosaccharides Pyrans Oxanes Methyl esters Alpha-hydroxy ketones Secondary alcohols Oxacyclic compounds Polyols Monocarboxylic acids and derivatives Acetals Organic oxides Primary alcohols Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroid-glucuronide-skeleton - 21-hydroxysteroid - 20-oxosteroid - Pregnane-skeleton - Hydroxysteroid - Oxosteroid - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Beta-hydroxy acid - Pyran - Hydroxy acid - Oxane - Monosaccharide - Methyl ester - Alpha-hydroxy ketone - Secondary alcohol - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Polyol - Acetal - Primary alcohol - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Aldehyde - 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