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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:28:34 UTC
Update Date2025-03-21 23:18:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00694782
Frequency2.2
Structure
Chemical FormulaC8H10NO+
Molecular Mass136.0757
SMILESC[n+]1cccc(CC=O)c1
InChI KeyPZYMKDCVEBDYLV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass methylpyridines
Direct Parent n-methylpyridinium compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha-hydrogen aldehydes
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyridines and derivatives
    • Substituents
  • carbonyl group
  • n-methylpyridinium
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • aldehyde
  • organic oxide
  • organic oxygen compound
  • alpha-hydrogen aldehyde
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organooxygen compound