Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:33 UTC
Update Date2025-03-21 18:36:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00109267
Frequency24.5
Structure
Chemical FormulaC12H18FNO2
Molecular Mass227.1322
SMILESCC(C)NCC(O)COc1ccc(F)cc1
InChI KeyXSVSMJQQZWOCQT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aryl fluorides
  • dialkylamines
  • fluorobenzenes
  • hydrocarbon derivatives
  • organofluorides
  • organopnictogen compounds
  • phenoxy compounds
  • secondary alcohols
  • Substituents
  • aryl fluoride
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • organohalogen compound
  • fluorobenzene
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • secondary aliphatic amine
  • organofluoride
  • secondary amine
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • organooxygen compound
  • amine