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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:22 UTC
Update Date2025-03-21 18:32:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00091665
Frequency30.6
Structure
Chemical FormulaC8H10NO2+
Molecular Mass152.0706
SMILESCc1c(C(=O)O)ccc[n+]1C
InChI KeyWXQGKOHLCYJNRP-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent pyridine-3-carboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monocarboxylic acids and derivatives
  • n-methylpyridinium compounds
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • vinylogous amides
    • Substituents
  • carboxylic acid
  • n-methylpyridinium
  • aromatic heteromonocyclic compound
  • pyridine-3-carboxylic acid
  • polyhalopyridine
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organic cation
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound