Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:09:46 UTC
Update Date2025-03-21 18:31:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00085572
Frequency33.4
Structure
Chemical FormulaC20H24FN
Molecular Mass297.1893
SMILESCN(C)CCCC1(c2ccc(F)cc2)CCc2ccccc21
InChI KeyGELJYWISAVOZLW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • aryl fluorides
  • fluorobenzenes
  • hydrocarbon derivatives
  • indanes
  • organofluorides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • aryl fluoride
  • organofluoride
  • tertiary aliphatic amine
  • aromatic homopolycyclic compound
  • organohalogen compound
  • aryl halide
  • fluorobenzene
  • phenylbutylamine
  • indane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • amine
  • tertiary amine