Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:23 UTC
Update Date2025-03-21 18:03:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00044274
Frequency76.5
Structure
Chemical FormulaC8H16O2
Molecular Mass144.115
SMILESCC1CC(O)CC(O)C1C
InChI KeyXIRSHWKLORMCKB-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
  • Substituents
  • cyclohexanol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • cyclic alcohol