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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:30 UTC
Update Date2025-03-21 18:38:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123499
Frequency20.9
Structure
Chemical FormulaC11H10BrNO3
Molecular Mass282.9844
SMILESO=C(O)CNC(=O)C=Cc1ccc(Br)cc1
InChI KeyNYSAMAATYUOZFV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent acyl glycines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha amino acids
  • aryl bromides
  • bromobenzenes
  • carbonyl compounds
  • carboxylic acids
  • cinnamic acids and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organobromides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • organohalogen compound
  • cinnamic acid or derivatives
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • bromobenzene
  • carboxamide group
  • n-acylglycine
  • aryl halide
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organobromide
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • aryl bromide
  • organooxygen compound