Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:01 UTC
Update Date2025-03-21 18:36:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112785
Frequency23.5
Structure
Chemical FormulaC7H5F3O
Molecular Mass162.0292
SMILESOc1ccccc1C(F)(F)F
InChI KeyZOQOPXVJANRGJZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass trifluoromethylbenzenes
Direct Parent trifluoromethylbenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl fluorides
  • hydrocarbon derivatives
  • organofluorides
  • organooxygen compounds
  • Substituents
  • alkyl fluoride
  • organofluoride
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • organohalogen compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • phenol
  • alkyl halide
  • hydrocarbon derivative
  • trifluoromethylbenzene
  • organooxygen compound