Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:36:58 UTC
Update Date2025-03-24 17:53:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01002931
Frequency1.4
Structure
Chemical FormulaC8H10NO+
Molecular Mass136.0757
SMILESCC(=O)c1cc[n+](C)cc1
InChI KeyFDKGIXCUGKPNRB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent aryl alkyl ketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-methylpyridinium compounds
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • aryl alkyl ketone
  • n-methylpyridinium
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • organic oxide
  • pyridine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organoheterocyclic compound