Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:46 UTC
Update Date2025-03-25 00:56:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02216954
Frequency0.5
Structure
Chemical FormulaC19H22FN
Molecular Mass283.1736
SMILESNCCCCC1(c2ccc(F)cc2)CCc2ccccc21
InChI KeyDRUMLJQYBACFAT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanes
Direct Parent indanes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • aryl fluorides
  • fluorobenzenes
  • hydrocarbon derivatives
  • monoalkylamines
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aryl fluoride
  • monocyclic benzene moiety
  • organofluoride
  • aromatic homopolycyclic compound
  • organohalogen compound
  • aryl halide
  • fluorobenzene
  • indane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • halobenzene