Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:53:08 UTC
Update Date2025-03-21 18:03:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00046095
Frequency72.8
Structure
Chemical FormulaC9H18O2
Molecular Mass158.1307
SMILESCC(O)CC1CCC(O)CC1
InChI KeyIJIFCRNAFSHYJH-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