Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:02 UTC
Update Date2025-03-25 00:58:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02233332
Frequency0.5
Structure
Chemical FormulaC9H15F3O
Molecular Mass196.1075
SMILESCC1(C)CCCC(O)(C(F)(F)F)C1
InChI KeyLHYHVKHAARQLED-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
  • alkyl fluorides
  • cyclic alcohols and derivatives
  • fluorohydrins
  • hydrocarbon derivatives
  • organofluorides
  • tertiary alcohols
  • Substituents
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • cyclohexanol
  • cyclic alcohol
  • fluorohydrin
  • organohalogen compound
  • tertiary alcohol
  • aliphatic homomonocyclic compound
  • alkyl halide
  • hydrocarbon derivative