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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:24 UTC
Update Date2025-03-25 00:51:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186245
Frequency0.5
Structure
Chemical FormulaC18H20FNO
Molecular Mass285.1529
SMILESNCCCC1(c2ccc(F)cc2)CCOc2ccccc21
InChI KeyGHRZYGPUORUJNN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classneoflavonoids
Subclass neoflavans
Direct Parent neoflavans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • alkyl aryl ethers
  • aryl fluorides
  • fluorobenzenes
  • hydrocarbon derivatives
  • monoalkylamines
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • phenylbutylamines
    • Substituents
  • aryl fluoride
  • neoflavan
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • alkyl aryl ether
  • organohalogen compound
  • fluorobenzene
  • phenylbutylamine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • chromane
  • organoheterocyclic compound
  • benzopyran
  • organofluoride
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound