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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:10 UTC
Update Date2025-03-21 18:34:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00100901
Frequency27.1
Structure
Chemical FormulaC26H40O9
Molecular Mass496.2672
SMILESCOC(=O)C1OC(OC2CCC3(C)C(CCC4C5CCC(=O)C5(C)CC(O)C43)C2)C(O)C(O)C1O
InChI KeyBRAXFWVNOCMKKK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass steroidal glycosides
Direct Parent steroid glucuronide conjugates
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 11-hydroxysteroids
  • 17-oxosteroids
  • acetals
  • androstane steroids
  • beta hydroxy acids and derivatives
  • cyclic alcohols and derivatives
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • ketones
  • methyl esters
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • carbonyl group
  • glucuronic acid or derivatives
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • ketone
  • 1-o-glucuronide
  • aliphatic heteropolycyclic compound
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • methyl ester
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • oxosteroid
  • hydroxysteroid
  • hydroxy acid
  • cyclic alcohol
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • androstane-skeleton
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • steroid-glucuronide-skeleton
  • 17-oxosteroid
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • organooxygen compound