Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:09 UTC
Update Date2025-03-21 18:36:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00110723
Frequency24.1
Structure
Chemical FormulaC8H8F2O
Molecular Mass158.0543
SMILESCc1ccc(OC(F)F)cc1
InChI KeyDJDQNISEJVPQCS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • hydrocarbon derivatives
  • organofluorides
  • organooxygen compounds
  • phenoxy compounds
  • toluenes
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • alkyl fluoride
  • organofluoride
  • organohalogen compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • phenoxy compound
  • toluene
  • organooxygen compound