Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:06 UTC
Update Date2025-03-21 18:35:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00108162
Frequency24.8
Structure
Chemical FormulaC9H16O2
Molecular Mass156.115
SMILESCC(=O)C1(O)CCC(C)CC1
InChI KeyFSDCTSSMIIXBHA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • tertiary alcohols
  • Substituents
  • ketone
  • carbonyl group
  • tertiary alcohol
  • organic oxide
  • cyclohexanol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • cyclic alcohol