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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:00 UTC
Update Date2025-03-25 00:47:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164730
Frequency0.5
Structure
Chemical FormulaC22H36O6
Molecular Mass396.2512
SMILESCC1(C)C(O)CCC2(C)C3C(O)CC4(C)C(CCC4(O)C(=O)O)C3CC(O)C12
InChI KeyVLFQCAFSJDFUED-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-hydroxysteroids
  • 6-hydroxysteroids
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • 20-hydroxysteroid
  • carbonyl group
  • carboxylic acid
  • androgen-skeleton
  • alpha-hydroxy acid
  • carboxylic acid derivative
  • aliphatic homopolycyclic compound
  • organic oxide
  • 17-hydroxysteroid
  • alcohol
  • 3-hydroxysteroid
  • hydroxysteroid
  • hydroxy acid
  • cyclic alcohol
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • 6-hydroxysteroid
  • organooxygen compound