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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:31 UTC
Update Date2025-03-25 00:47:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161352
Frequency0.5
Structure
Chemical FormulaC10H11N3O3
Molecular Mass221.08
SMILESNC(Cn1ccc2[nH]ccc2c1=O)C(=O)O
InChI KeyYMGSFLQHPIVPST-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • lactams
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyridinones
  • pyrroles
  • pyrrolopyridines
  • vinylogous amides
  • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • polyhalopyridine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • vinylogous amide
  • azacycle
  • pyrrolopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • monocarboxylic acid or derivatives
  • pyridine
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • pyridinone
  • organooxygen compound