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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:00 UTC
Update Date2025-03-25 00:50:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178555
Frequency0.5
Structure
Chemical FormulaC17H17NO
Molecular Mass251.131
SMILESc1ccc(C2NC3C(c4ccccc4)OCC23)cc1
InChI KeyUAHLDMIEIGBFID-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazetidines
Subclass phenylazetidines
Direct Parent phenylazetidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-oxazepines
  • azacyclic compounds
  • benzene and substituted derivatives
  • dialkyl ethers
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • ether
  • azacycle
  • tetrahydrofuran
  • secondary amine
  • dialkyl ether
  • 2-phenylazetidine
  • para-oxazepine
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine