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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:25:02 UTC
Update Date2025-03-21 23:16:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00686541
Frequency2.3
Structure
Chemical FormulaC6H5NO
Molecular Mass107.0371
SMILESOc1ccc2c(c1)N2
InChI KeyGAPHAPYQCGVSSK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • secondary amines
    • Substituents
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • secondary amine
  • azepine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine