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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:34 UTC
Update Date2025-03-21 18:35:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106836
Frequency25.2
Structure
Chemical FormulaC27H44O9
Molecular Mass512.2985
SMILESCC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)CC1CCC1C2CCC2(C)C(C(O)CO)CCC12
InChI KeyWCRRMAHDTPCUOY-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
  • 21-hydroxysteroids
  • acetals
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pregnane steroids
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • 20-hydroxysteroid
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • aliphatic heteropolycyclic compound
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • 21-hydroxysteroid
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxysteroid
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • steroid-glucuronide-skeleton
  • hydrocarbon derivative
  • pregnane-skeleton
  • organooxygen compound