Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:53 UTC
Update Date2025-03-21 18:02:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00038294
Frequency91.5
Structure
Chemical FormulaC21H34O4
Molecular Mass350.2457
SMILESCC12CCC(O)CC1CCC1C2C(O)CC2(C)C1CCC2(C)C(=O)O
InChI KeySADJTGRBKDWZMR-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
  • 3-hydroxysteroids
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • 20-hydroxysteroid
  • alcohol
  • carbonyl group
  • carboxylic acid
  • androgen-skeleton
  • 3-hydroxysteroid
  • hydroxysteroid
  • cyclic alcohol
  • carboxylic acid derivative
  • aliphatic homopolycyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • organooxygen compound