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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:36 UTC
Update Date2025-03-21 18:39:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126071
Frequency20.3
Structure
Chemical FormulaC7H7N3O2
Molecular Mass165.0538
SMILESCn1cnc2[nH]cc(C(=O)O)c21
InChI KeyGNYRSBZQXIBOER-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass pyrrole carboxylic acids and derivatives
Direct Parent pyrrole carboxylic acids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monocarboxylic acids and derivatives
  • n-substituted imidazoles
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1-carboxy-2-haloaromatic compound
  • organic nitrogen compound
  • pyrrole-3-carboxylic acid
  • organooxygen compound
  • azole
  • n-substituted imidazole