Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:20:39 UTC
Update Date2025-03-24 21:08:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01683734
Frequency0.7
Structure
Chemical FormulaC7H8FN
Molecular Mass125.0641
SMILESCNc1ccc(F)cc1
InChI KeyVLWRKVBQUANIGI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent phenylalkylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl fluorides
  • fluorobenzenes
  • hydrocarbon derivatives
  • organofluorides
  • organopnictogen compounds
  • secondary alkylarylamines
  • Substituents
  • aryl fluoride
  • monocyclic benzene moiety
  • organofluoride
  • secondary amine
  • organohalogen compound
  • secondary aliphatic/aromatic amine
  • aryl halide
  • aromatic homomonocyclic compound
  • fluorobenzene
  • organopnictogen compound
  • phenylalkylamine
  • hydrocarbon derivative
  • benzenoid
  • halobenzene