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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:09 UTC
Update Date2025-03-21 18:36:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00110702
Frequency24.1
Structure
Chemical FormulaC12H17N2O5+
Molecular Mass269.1132
SMILESCC(=O)Nc1cccc[n+]1C1OC(CO)C(O)C1O
InChI KeyCVFCZLJQGAITAQ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-acetylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • acetamides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • monosaccharides
  • organic cations
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • organopnictogen compound
  • 2-halopyridine
  • organic cation
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • pyridine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound