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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:38 UTC
Update Date2025-03-21 18:28:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00073270
Frequency40.7
Structure
Chemical FormulaC15H11BrN2O3
Molecular Mass345.9953
SMILESOC1=NC(c2ccc(O)cc2)(c2ccc(Br)cc2)C(O)=N1
InChI KeyYNLJBSIEZZADEW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl bromides
  • azacyclic compounds
  • bromobenzenes
  • hydrocarbon derivatives
  • imidazoles
  • organobromides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • diphenylmethane
  • aromatic heteromonocyclic compound
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • bromobenzene
  • organic 1,3-dipolar compound
  • organohalogen compound
  • aryl halide
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • imidazole
  • organonitrogen compound
  • organobromide
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • aryl bromide
  • organoheterocyclic compound
  • organooxygen compound