Hmdb loader

Showing information for DMID02253655

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:53 UTC
Update Date2025-03-25 01:02:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253655
Frequency0.5
Structure
Chemical FormulaC13H14FNO2
Molecular Mass235.1009
SMILESO=C(CCN1CCCC1=O)c1ccc(F)cc1
InChI KeyDUZCHHURGMZDRF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl alkyl ketones
  • aryl fluorides
  • azacyclic compounds
  • benzoyl derivatives
  • carboxylic acids and derivatives
  • fluorobenzenes
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
    • Substituents
  • aryl fluoride
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • lactam
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • benzoyl
  • carboxylic acid derivative
  • organohalogen compound
  • fluorobenzene
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • organofluoride
  • carboxamide group
  • aryl halide
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • alkyl-phenylketone