Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:33:16 UTC
Update Date2025-03-24 17:52:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00994359
Frequency1.4
Structure
Chemical FormulaC5H9F3O
Molecular Mass142.0606
SMILESCCC(C)(O)C(F)(F)F
InChI KeyYRFSGDURTMDVSJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • fluorohydrins
  • hydrocarbon derivatives
  • organofluorides
  • Substituents
  • aliphatic acyclic compound
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • fluorohydrin
  • organohalogen compound
  • tertiary alcohol
  • alkyl halide
  • hydrocarbon derivative