Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:16:52 UTC
Update Date2025-03-21 23:12:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00666936
Frequency2.4
Structure
Chemical FormulaC8H16O2
Molecular Mass144.115
SMILESCOC1CCC(C)(O)CC1
InChI KeyXPIURESURDVXJG-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
  • dialkyl ethers
  • hydrocarbon derivatives
  • tertiary alcohols
  • Substituents
  • tertiary alcohol
  • ether
  • cyclohexanol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • cyclic alcohol
  • dialkyl ether