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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:10 UTC
Update Date2025-03-21 18:39:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125046
Frequency27.1
Structure
Chemical FormulaC14H12N2O2
Molecular Mass240.0899
SMILESO=C1NC(c2ccc(O)cc2)Nc2ccccc21
InChI KeyUYBVPYFAXHSIPV-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
  • amino acids and derivatives
  • azacyclic compounds
  • benzene and substituted derivatives
  • carboxylic acids and derivatives
  • diazanaphthalenes
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • secondary alkylarylamines
  • secondary carboxylic acid amides
  • vinylogous amides
  • Substituents
  • monocyclic benzene moiety
  • lactam
  • amino acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • vinylogous amide
  • azacycle
  • secondary amine
  • carboxamide group
  • secondary aliphatic/aromatic amine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • quinazoline
  • organooxygen compound
  • amine