Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:33 UTC
Update Date2025-03-25 00:48:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166031
Frequency0.5
Structure
Chemical FormulaC13H20O
Molecular Mass192.1514
SMILESCC1=CCC2CCC2(O)C(C)=CCC1
InChI KeyCFPRJDVRCGOPKN-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
  • Substituents
  • tertiary alcohol
  • cyclobutanol
  • hydrocarbon derivative
  • aliphatic homopolycyclic compound