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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:40 UTC
Update Date2025-03-25 00:52:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193619
Frequency0.5
Structure
Chemical FormulaC12H17NO2
Molecular Mass207.1259
SMILESCCc1nc(CC)c(CO)c(C=O)c1C
InChI KeyLVBVZOAFIVWPLE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent pyridinecarboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • aromatic alcohols
  • aryl-aldehydes
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyridine carboxaldehydes
    • Substituents
  • aromatic alcohol
  • pyridine carboxylic acid or derivatives
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • aldehyde
  • methylpyridine
  • 4-pyridine carboxaldehyde
  • organic oxide
  • aryl-aldehyde
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • organooxygen compound