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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:31 UTC
Update Date2025-03-25 00:47:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163617
Frequency0.5
Structure
Chemical FormulaC22H38O6
Molecular Mass398.2668
SMILESCC12CCC(O)CC1CC(O)C1C2CC(O)C2(C)C(C(O)C(O)CO)CCC12
InChI KeyKNGCGMIIBBEDBV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass androstane steroids
Direct Parent androgens and derivatives
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • 12-hydroxysteroids
  • 3-hydroxysteroids
  • 7-hydroxysteroids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • primary alcohols
  • secondary alcohols
    • Substituents
  • 20-hydroxysteroid
  • alcohol
  • 12-hydroxysteroid
  • androgen-skeleton
  • 3-hydroxysteroid
  • hydroxysteroid
  • cyclic alcohol
  • 7-hydroxysteroid
  • aliphatic homopolycyclic compound
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound