Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:29 UTC
Update Date2025-03-25 00:57:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02223284
Frequency0.5
Structure
Chemical FormulaC9H12FNO
Molecular Mass169.0903
SMILESNCC(O)Cc1ccccc1F
InChI KeyALSSHGPROUAGSL-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
  • hydrocarbon derivatives
  • monoalkylamines
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • aryl fluoride
  • alcohol
  • organofluoride
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • fluorobenzene
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound