Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:42 UTC
Update Date2025-03-25 00:58:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230302
Frequency0.5
Structure
Chemical FormulaC16H24FN
Molecular Mass249.1893
SMILESCN(C)CCCC1(c2cccc(F)c2)CCCC1
InChI KeyVFSUNIQEFWSXOO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl fluorides
  • fluorobenzenes
  • hydrocarbon derivatives
  • organofluorides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • aryl fluoride
  • organofluoride
  • tertiary aliphatic amine
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • fluorobenzene
  • phenylbutylamine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • amine
  • tertiary amine