Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:40 UTC
Update Date2025-03-25 00:52:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195876
Frequency0.5
Structure
Chemical FormulaC18H30O3
Molecular Mass294.2195
SMILESCC12CCC3C(CCC4CC(O)CCC43O)C1CCC2O
InChI KeyHNYJBJIVXKAEDP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass estrane steroids
Direct Parent estrogens and derivatives
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • 17-hydroxysteroids
  • 3-hydroxysteroids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • secondary alcohols
  • tertiary alcohols
  • Substituents
  • alcohol
  • 3-hydroxysteroid
  • hydroxysteroid
  • 10-hydroxysteroid
  • cyclic alcohol
  • aliphatic homopolycyclic compound
  • tertiary alcohol
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound
  • 17-hydroxysteroid
  • estrogen-skeleton