Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:42:59 UTC
Update Date2025-03-21 17:59:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00021990
Frequency180.8
Structure
Chemical FormulaC8H16O2
Molecular Mass144.115
SMILESCC1CC(O)CC(C)(O)C1
InChI KeyFQNCPXFSMDDQAE-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
  • tertiary alcohols
  • Substituents
  • tertiary alcohol
  • cyclohexanol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • cyclic alcohol