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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:09:39 UTC
Update Date2025-03-21 23:09:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00650191
Frequency2.4
Structure
Chemical FormulaC7H7FO2
Molecular Mass142.043
SMILESOCc1cc(F)ccc1O
InChI KeyIMEOTXXUGOGZCY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass halophenols
Direct Parent halophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aromatic alcohols
  • aryl fluorides
  • benzyl alcohols
  • fluorobenzenes
  • hydrocarbon derivatives
  • organofluorides
  • p-fluorophenols
    • Substituents
  • aryl fluoride
  • aromatic alcohol
  • alcohol
  • 4-fluorophenol
  • monocyclic benzene moiety
  • organofluoride
  • 1-hydroxy-2-unsubstituted benzenoid
  • benzyl alcohol
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • fluorobenzene
  • organic oxygen compound
  • 4-halophenol
  • hydrocarbon derivative
  • halobenzene
  • organooxygen compound