Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:57 UTC
Update Date2025-03-25 01:00:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02242288
Frequency0.5
Structure
Chemical FormulaC16H20FNO2
Molecular Mass277.1478
SMILESCC(C)NCC(O)COc1cc(F)cc2ccccc12
InChI KeyBIXQZSMRGMOMDG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aryl fluorides
  • dialkylamines
  • hydrocarbon derivatives
  • organofluorides
  • organopnictogen compounds
  • phenol ethers
  • secondary alcohols
  • Substituents
  • aryl fluoride
  • alcohol
  • phenol ether
  • secondary aliphatic amine
  • ether
  • organofluoride
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • secondary amine
  • organohalogen compound
  • aryl halide
  • naphthalene
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine