Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:20 UTC
Update Date2025-03-25 00:58:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231778
Frequency0.5
Structure
Chemical FormulaC19H26O3
Molecular Mass302.1882
SMILESCC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C(O)CCC12
InChI KeyXBDIPICFPCBNBB-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
  • 11-hydroxysteroids
  • 17-hydroxysteroids
  • 3-oxo delta-1,4-steroids
  • cyclic alcohols and derivatives
  • cyclic ketones
  • delta-1,4-steroids
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • 3-oxo-delta-1,4-steroid
  • carbonyl group
  • oxosteroid
  • androgen-skeleton
  • delta-1,4-steroid
  • hydroxysteroid
  • cyclic ketone
  • cyclic alcohol
  • aliphatic homopolycyclic compound
  • ketone
  • organic oxide
  • organic oxygen compound
  • secondary alcohol
  • 3-oxosteroid
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • organooxygen compound
  • 17-hydroxysteroid