Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:25:45 UTC
Update Date2025-03-21 23:17:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00688180
Frequency2.3
Structure
Chemical FormulaC9H16O
Molecular Mass140.1201
SMILESCC12CCC(O)(CC1)CC2
InChI KeyJWGWSFMJBKXMGZ-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
  • hydrocarbon derivative
  • cyclic alcohol
  • aliphatic homopolycyclic compound