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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:58 UTC
Update Date2025-03-25 00:57:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226546
Frequency0.5
Structure
Chemical FormulaC22H34O6
Molecular Mass394.2355
SMILESCC1(C(=O)O)CCCC2(C)C3C(O)CC4(C)C(CCC4(O)C(=O)O)C3CCC12
InChI KeyCHBXAWMNMWOOIK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass hydroxysteroids
Direct Parent 17-hydroxysteroids
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • 11-hydroxysteroids
  • alpha hydroxy acids and derivatives
  • androstane steroids
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • tertiary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • hydroxy acid
  • cyclic alcohol
  • carboxylic acid derivative
  • aliphatic homopolycyclic compound
  • tertiary alcohol
  • organic oxide
  • organic oxygen compound
  • androstane-skeleton
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • organooxygen compound
  • 17-hydroxysteroid