Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(OS(O)(=O)=O)=C4)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O
InChIKey
InChIKey=VRMSCBRLZUCJBX-QXYWQCSFSA-M
Formula
C24H31O11S
Mass
527.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- 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
Steroidal glycosides
Alternative Parents
Estrane steroids Sulfated steroids O-glucuronides Phenanthrenes and derivatives O-glycosyl compounds Arylsulfates Tetralins Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Sulfuric acid monoesters Secondary alcohols Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Polyols Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Steroidal glycoside - Sulfated steroid skeleton - Estrane-skeleton - 1-o-glucuronide - O-glucuronide - Phenanthrene - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Arylsulfate - Tetralin - Beta-hydroxy acid - Sulfate-ester - Sulfuric acid monoester - Hydroxy acid - Monosaccharide - Oxane - Benzenoid - Pyran - Sulfuric acid ester - Organic sulfuric acid or derivatives - Secondary alcohol - Carboxylic acid salt - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Acetal - Polyol - Carboxylic acid derivative - Hydrocarbon derivative - Alcohol - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton.
External Descriptors
LIPIDMAPS (LMST05010018) : Glucuronides