Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:17 UTC
Update Date2025-03-25 00:51:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188263
Frequency0.5
Structure
Chemical FormulaC7H9F7O3
Molecular Mass274.044
SMILESCC(O)(CO)C(O)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyKHBMCMLCGDZMFH-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
  • secondary alcohols
  • Substituents
  • aliphatic acyclic compound
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • fluorohydrin
  • organohalogen compound
  • tertiary alcohol
  • secondary alcohol
  • alkyl halide
  • hydrocarbon derivative