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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:28 UTC
Update Date2025-03-21 18:07:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00068048
Frequency44.6
Structure
Chemical FormulaC39H68O6
Molecular Mass632.5016
SMILESCCCCCCC=CCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3C2C(O)CC2(C)C3CCC2(O)C(O)CO)C1
InChI KeyGNZXJQCOOJLIIJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass hydroxysteroids
Direct Parent 21-hydroxysteroids
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • 11-hydroxysteroids
  • 17-hydroxysteroids
  • carbonyl compounds
  • carboxylic acid esters
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • pregnane steroids
  • primary alcohols
  • secondary alcohols
  • steroid esters
  • tertiary alcohols
    • Substituents
  • alcohol
  • carbonyl group
  • cyclic alcohol
  • carboxylic acid derivative
  • steroid ester
  • aliphatic homopolycyclic compound
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 21-hydroxysteroid
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • primary alcohol
  • pregnane-skeleton
  • organooxygen compound
  • 17-hydroxysteroid