Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:14:08 UTC
Update Date2025-03-21 19:07:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00236962
Frequency9.0
Structure
Chemical FormulaC9H16O
Molecular Mass140.1201
SMILESC=C1CC(C)(O)CCC1C
InChI KeyMGVSBTQCJMPPSK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • Substituents
  • tertiary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • cyclic alcohol