Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:55 UTC
Update Date2025-03-25 00:49:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171400
Frequency0.5
Structure
Chemical FormulaC8H12NO+
Molecular Mass138.0913
SMILESCOCc1ccc[n+](C)c1
InChI KeyMBWPKRUUZBXHDQ-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
  • azacyclic compounds
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • ether
  • n-methylpyridinium
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • dialkyl ether
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organooxygen compound