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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:45 UTC
Update Date2025-03-25 00:59:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02237272
Frequency0.5
Structure
Chemical FormulaC6H8FNO2
Molecular Mass145.0539
SMILESO=C(CF)C1CCC(O)=N1
InChI KeyXPCITGFPMZUHRX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha-haloketones
  • azacyclic compounds
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • azacycle
  • alkyl fluoride
  • organofluoride
  • organic 1,3-dipolar compound
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • pyrroline
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound