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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:49 UTC
Update Date2025-03-21 18:34:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00100066
Frequency27.4
Structure
Chemical FormulaC13H11NO
Molecular Mass197.0841
SMILESOc1ccc2c(c1)CCc1cccnc1-2
InChI KeyMUGQIIVBBQULST-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
    • Substituents
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • pyridine
  • naphthalene
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound