Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:36:36 UTC
Update Date2025-03-24 20:49:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01578549
Frequency0.8
Structure
Chemical FormulaC5H7F3O
Molecular Mass140.0449
SMILESOC1(C(F)(F)F)CCC1
InChI KeyLAVGIFVKTRAAKV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • cyclic alcohols and derivatives
  • fluorohydrins
  • hydrocarbon derivatives
  • organofluorides
  • Substituents
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • fluorohydrin
  • organohalogen compound
  • tertiary alcohol
  • cyclobutanol
  • aliphatic homomonocyclic compound
  • alkyl halide
  • hydrocarbon derivative