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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:37 UTC
Update Date2025-03-25 00:50:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182189
Frequency0.5
Structure
Chemical FormulaC15H12N2O3
Molecular Mass268.0848
SMILESO=C(O)C1N=C(c2ccc(O)cc2)c2ccccc2N1
InChI KeyHFKHTSJBBAVQJP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alpha amino acids
  • amino acids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • diazanaphthalenes
  • hydrocarbon derivatives
  • ketimines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alkylarylamines
    • Substituents
  • ketimine
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • imine
  • 1-hydroxy-2-unsubstituted benzenoid
  • 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
  • azacycle
  • organic 1,3-dipolar compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • quinazoline
  • organooxygen compound
  • amine