Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:11 UTC
Update Date2025-03-25 00:55:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213386
Frequency0.5
Structure
Chemical FormulaC20H24FN
Molecular Mass297.1893
SMILESCN(C)CCCC1(c2ccccc2)CCc2cc(F)ccc21
InChI KeyBQRGNDHJHISSSE-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
  • hydrocarbon derivatives
  • indanes
  • organofluorides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • aryl fluoride
  • organofluoride
  • tertiary aliphatic amine
  • aromatic homopolycyclic compound
  • organohalogen compound
  • aryl halide
  • phenylbutylamine
  • indane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine