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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:07:56 UTC
Update Date2025-03-24 21:02:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01652935
Frequency0.8
Structure
Chemical FormulaC7H8N2O
Molecular Mass136.0637
SMILESCN=Cc1ccc[n+]([O-])c1
InChI KeyRSXUFQCCTYMMSL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass methylpyridines
Direct Parent methylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aldimines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • imine
  • heteroaromatic compound
  • methylpyridine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • aldimine
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound