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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:23 UTC
Update Date2025-03-25 00:47:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163307
Frequency0.5
Structure
Chemical FormulaC9H8N2O3
Molecular Mass192.0535
SMILESO=C(O)C1=CN(O)c2ccccc2N1
InChI KeyLECXRWUDXYSEPC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinoxalines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxylamino, 2-unsubstituted benzenoids
  • 1-hydroxylamino, 4-unsubstituted benzenoids
  • alpha amino acids
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • diazanaphthalenes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-organohydroxylamines
  • organic oxides
  • organopnictogen compounds
  • secondary alkylarylamines
  • vinylogous amides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • 1-hydroxylamino, 2-unsubstituted benzenoid
  • quinoxaline
  • vinylogous amide
  • azacycle
  • secondary amine
  • n-organohydroxylamine
  • secondary aliphatic/aromatic amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 1-hydroxylamino, 4-unsubstituted benzenoid
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound