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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:43 UTC
Update Date2025-03-25 00:56:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02216859
Frequency0.5
Structure
Chemical FormulaC13H11NO
Molecular Mass197.0841
SMILESCOc1ccc2cccc3c2c1C=CN3
InChI KeyALJHJXBAOFZEGE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alkylarylamines
    • Substituents
  • phenol ether
  • ether
  • azacycle
  • alkyl aryl ether
  • secondary amine
  • secondary aliphatic/aromatic amine
  • naphthalene
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organoheterocyclic compound
  • organooxygen compound