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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:22 UTC
Update Date2025-03-21 18:37:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00113640
Frequency23.3
Structure
Chemical FormulaC21H34O5
Molecular Mass366.2406
SMILESCC12CCC(O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(O)CO
InChI KeyVMYVADYQRWUHIG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass pregnane steroids
Direct Parent gluco/mineralocorticoids, progestogins and derivatives
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • 11-hydroxysteroids
  • 17-hydroxysteroids
  • 21-hydroxysteroids
  • 3-hydroxy delta-4-steroids
  • cyclic alcohols and derivatives
  • delta-4-steroids
  • hydrocarbon derivatives
  • primary alcohols
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • 20-hydroxysteroid
  • alcohol
  • delta-4-steroid
  • 3-hydroxysteroid
  • hydroxysteroid
  • cyclic alcohol
  • aliphatic homopolycyclic compound
  • tertiary alcohol
  • organic oxygen compound
  • 3-hydroxy-delta-4-steroid
  • 21-hydroxysteroid
  • secondary alcohol
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • primary alcohol
  • progestogin-skeleton
  • organooxygen compound
  • 17-hydroxysteroid