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 IDDMID02213393
Frequency0.5
Structure
Chemical FormulaC19H22FNS
Molecular Mass315.1457
SMILESCN(C)CCCC1(c2ccc(F)cc2)SCc2ccccc21
InChI KeyCKAPYLODHXZJQB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl fluorides
  • dialkylthioethers
  • fluorobenzenes
  • hydrocarbon derivatives
  • organofluorides
  • organoheterocyclic compounds
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • aryl fluoride
  • organofluoride
  • dialkylthioether
  • tertiary aliphatic amine
  • organohalogen compound
  • aryl halide
  • fluorobenzene
  • phenylbutylamine
  • aromatic heteropolycyclic compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • amine
  • tertiary amine
  • organoheterocyclic compound