Compound Identification
SMILES
COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C2CCC3C4CCC(O)C4(C)CCC3C2=C1
InChIKey
InChIKey=LLCPFVIBUZJITJ-UHFFFAOYSA-N
Formula
C25H34O9
Mass
478.538
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 17-hydroxysteroids Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides O-glucuronides Phenanthrenes and derivatives Alkyl glycosides O-glycosyl compounds Tetralins Anisoles Alkyl aryl ethers Beta hydroxy acids and derivatives Pyrans Monosaccharides Oxanes Cyclic alcohols and derivatives Secondary alcohols Polyols Acetals Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Steroid-glucuronide-skeleton - Hydroxysteroid - 17-hydroxysteroid - Estrane-skeleton - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Phenanthrene - Glucuronic acid or derivatives - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Beta-hydroxy acid - Alkyl aryl ether - Fatty acyl - Benzenoid - Pyran - Hydroxy acid - Monosaccharide - Oxane - Cyclic alcohol - Secondary alcohol - Monocarboxylic acid or derivatives - Polyol - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Acetal - Ether - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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