Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:35:36 UTC
Update Date2025-03-24 21:15:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01719512
Frequency0.7
Structure
Chemical FormulaC9H14O
Molecular Mass138.1045
SMILESOC12CC3CC(C1)C(C3)C2
InChI KeyVJJZDEWRLPQXFL-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