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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:24:47 UTC
Update Date2025-03-24 20:44:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01549996
Frequency0.8
Structure
Chemical FormulaC6H5FO3
Molecular Mass144.0223
SMILESOc1ccc(F)c(O)c1O
InChI KeyGDHWGEZMWNAJJH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenetriols and derivatives
Direct Parent 5-unsubstituted pyrrogallols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl fluorides
  • fluorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • m-fluorophenols
  • o-fluorophenols
  • organofluorides
  • organooxygen compounds
  • p-fluorophenols
    • Substituents
  • aryl fluoride
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • fluorobenzene
  • 4-halophenol
  • 5-unsubstituted pyrrogallol
  • 3-halophenol
  • 4-fluorophenol
  • organofluoride
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3-fluorophenol
  • 2-fluorophenol
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • hydrocarbon derivative
  • halobenzene
  • organooxygen compound