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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:06 UTC
Update Date2025-03-21 18:34:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00100751
Frequency27.1
Structure
Chemical FormulaC10H12N2O2
Molecular Mass192.0899
SMILESO=C(O)C1CNC(c2cccnc2)C1
InChI KeyFBLJULUXVKIROG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyrrolidinylpyridines
Direct Parent pyrrolidinylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • pyrrolidine carboxylic acids
    • Substituents
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • pyrrolidinylpyridine
  • carboxylic acid derivative
  • organic oxide
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • secondary aliphatic amine
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • secondary amine
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine