Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:11:46 UTC
Update Date2025-03-21 20:49:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00370642
Frequency5.0
Structure
Chemical FormulaC8H10NO+
Molecular Mass136.0757
SMILESCC(=O)C[n+]1ccccc1
InChI KeyUMXSWZIKKAZRTE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass methylpyridines
Direct Parent methylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketones
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • ketone
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organooxygen compound