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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:28 UTC
Update Date2025-03-25 00:58:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02232078
Frequency0.5
Structure
Chemical FormulaC12H11FO
Molecular Mass190.0794
SMILESCC1=C(c2ccc(F)cc2)CCC1=O
InChI KeyGWRQYCWRRSFNLM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent fluorobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl fluorides
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
    • Substituents
  • aryl fluoride
  • carbonyl group
  • organofluoride
  • cyclic ketone
  • organohalogen compound
  • aryl halide
  • ketone
  • aromatic homomonocyclic compound
  • fluorobenzene
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound