Compound Identification
SMILES
[H][C@@](C)(CC(=O)CC(C)C)[C@@]1([H])CC[C@@]2([H])C3=C[C@@]4([H])OC[C@@]5([H])O[C@@]([H])(O[C@]6([H])[C@@]([H])(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]6([H])O[C@]6([H])[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O[C@@]6([H])O[C@@]6([H])CC[C@](C)([C@@]3([H])CC[C@]12C)[C@@]4([H])C6)C([O-])=O)[C@]([H])(O)[C@@]([H])(O)[C@]5([H])O
InChIKey
InChIKey=SYTBXSURRJTIEH-NGDOLOPASA-M
Formula
C45H69O18
Mass
898.03
Taxonomic Classification
Taxonomy Tree
-
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
Diterpene glycosides Cholesterols and derivatives Oligosaccharides Bile acids, alcohols and derivatives Delta-7-steroids Diterpenoids Fatty acyl glycosides Glucuronic acid derivatives Beta hydroxy acids and derivatives Pyrans Oxanes Secondary alcohols Ketones Carboxylic acids Monocarboxylic acids and derivatives Oxacyclic compounds Dialkyl ethers Polyols Acetals Primary alcohols Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Diterpene glycoside - Steroid-glucuronide-skeleton - Cholesterol - Cholestane-skeleton - Oligosaccharide - Bile acid, alcohol, or derivatives - Diterpenoid - Delta-7-steroid - Terpene glycoside - Fatty acyl glycoside - Glucuronic acid or derivatives - Beta-hydroxy acid - Pyran - Oxane - Hydroxy acid - Fatty acyl - Secondary alcohol - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Acetal - Dialkyl ether - Oxacycle - Ether - Polyol - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Primary alcohol - Organooxygen compound - Organic oxide - Organic anion - 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