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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:13 UTC
Update Date2025-03-25 00:46:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154030
Frequency0.5
Structure
Chemical FormulaC11H10N2O4
Molecular Mass234.0641
SMILESCOc1ccc2nc(C(=O)O)c(=O)n(C)c2c1
InChI KeyDPXAGBPLYCOGRF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinoxalines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • carboxylic acids
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrazine carboxylic acids
  • vinylogous amides
  • Substituents
  • phenol ether
  • ether
  • lactam
  • carboxylic acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • quinoxaline
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrazine
  • anisole
  • pyrazine carboxylic acid
  • pyrazine carboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound