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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:35 UTC
Update Date2025-03-25 00:54:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209513
Frequency0.5
Structure
Chemical FormulaC20H28O3
Molecular Mass316.2038
SMILESCC12CCC3c4ccc(O)cc4CCC3C1CCC2C(O)CO
InChI KeyARDUWYHVNOZEMT-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 aromatic homopolycyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • 21-hydroxysteroids
  • 3-hydroxysteroids
  • hydrocarbon derivatives
  • phenanthrenes and derivatives
  • primary alcohols
  • secondary alcohols
  • tetralins
    • Substituents
  • 20-hydroxysteroid
  • alcohol
  • tetralin
  • phenanthrene
  • 3-hydroxysteroid
  • 1-hydroxy-2-unsubstituted benzenoid
  • hydroxysteroid
  • aromatic homopolycyclic compound
  • organic oxygen compound
  • 21-hydroxysteroid
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • primary alcohol
  • progestogin-skeleton
  • organooxygen compound
  • 1,2-diol