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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:20 UTC
Update Date2025-03-25 00:45:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151907
Frequency0.5
Structure
Chemical FormulaC12H15N3O3
Molecular Mass249.1113
SMILESNC(CCC1Nc2ccccc2N=C1O)C(=O)O
InChI KeyKHFXHTZAWNYNKY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinoxalines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha amino acids
  • amino acids
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • cyclic carboximidic acids
  • diazanaphthalenes
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alkylarylamines
    • Substituents
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • quinoxaline
  • azacycle
  • organic 1,3-dipolar compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • cyclic carboximidic acid
  • amine
  • organooxygen compound