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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:03 UTC
Update Date2025-03-25 01:00:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02244898
Frequency0.5
Structure
Chemical FormulaC19H20FN3O
Molecular Mass325.159
SMILESCN(C)CCCC1(c2ccc(F)cn2)OCc2ccc(C#N)cc21
InChI KeyPIAZDDAVFRHESK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisocoumarans
Subclass isocoumarans
Direct Parent isocoumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • aryl fluorides
  • azacyclic compounds
  • benzenoids
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • nitriles
  • organofluorides
  • organopnictogen compounds
  • oxacyclic compounds
  • polyhalopyridines
  • trialkylamines
    • Substituents
  • aryl fluoride
  • ether
  • nitrile
  • polyhalopyridine
  • organohalogen compound
  • dialkyl ether
  • isocoumaran
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • carbonitrile
  • tertiary amine
  • azacycle
  • organofluoride
  • heteroaromatic compound
  • tertiary aliphatic amine
  • methylpyridine
  • aryl halide
  • oxacycle
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound