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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:59:48 UTC
Update Date2025-03-24 21:26:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01777041
Frequency0.7
Structure
Chemical FormulaC5H6NO+
Molecular Mass96.0444
SMILESNc1cc[o+]cc1
InChI KeyXPHIDPSCUDXHON-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic cations
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
    • Substituents
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic cation
  • amine
  • organooxygen compound