Hmdb loader
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 IDDMID02164732
Frequency0.5
Structure
Chemical FormulaC13H24O3
Molecular Mass228.1725
SMILESCC1(C)C(O)CCC2(C)C1CCC2(O)CO
InChI KeyRSAXHUMDNBJSFR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • secondary alcohols
  • Substituents
  • tertiary alcohol
  • secondary alcohol
  • hydrocarbon derivative
  • cyclic alcohol
  • aliphatic homopolycyclic compound