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Record Information
HMDB Statusdetected
Creation Date2024-02-21 00:10:36 UTC
Update Date2025-03-21 18:31:45 UTC
HMDB IDHMDB0245599
Metabolite Identification
DeepMet IDDMID00087462
NameReichstein's substance E
Frequency32.5
Structure
Chemical FormulaC21H32O5
Molecular Mass364.225
SMILESCC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(O)CO
InChI KeyAWWCEQOCFFQUKS-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-oxo delta-4-steroids
  • cyclic alcohols and derivatives
  • cyclohexenones
  • delta-4-steroids
  • hydrocarbon derivatives
  • organic oxides
  • primary alcohols
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • 20-hydroxysteroid
  • cyclohexenone
  • carbonyl group
  • cyclic ketone
  • aliphatic homopolycyclic compound
  • ketone
  • organic oxide
  • 21-hydroxysteroid
  • primary alcohol
  • progestogin-skeleton
  • 17-hydroxysteroid
  • alcohol
  • oxosteroid
  • delta-4-steroid
  • hydroxysteroid
  • 3-oxo-delta-4-steroid
  • cyclic alcohol
  • tertiary alcohol
  • organic oxygen compound
  • secondary alcohol
  • 3-oxosteroid
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • organooxygen compound