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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:13 UTC
Update Date2025-03-25 01:00:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02242893
Frequency0.5
Structure
Chemical FormulaC28H46O2
Molecular Mass414.3498
SMILESC=C(C)C(O)CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3
InChI KeyMKBBKRZWUSWJLH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass bile acids, alcohols and derivatives
Direct Parent bile acids, alcohols and derivatives
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • 3-hydroxysteroids
  • cyclic alcohols and derivatives
  • diterpenoids
  • hydrocarbon derivatives
  • secondary alcohols
    • Substituents
  • alcohol
  • abietane diterpenoid
  • 23-hydroxysteroid
  • 3-hydroxysteroid
  • hydroxysteroid
  • cyclic alcohol
  • bile acid, alcohol, or derivatives
  • aliphatic homopolycyclic compound
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • diterpenoid
  • organooxygen compound