Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:07 UTC
Update Date2025-03-25 00:56:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217795
Frequency0.5
Structure
Chemical FormulaC10H10BrNO3
Molecular Mass270.9844
SMILESCC(=O)Nc1ccc(CC(=O)O)cc1Br
InChI KeyGGBKBLCIMQPSCO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent o-haloacetanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • aryl bromides
  • bromobenzenes
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-acetylarylamines
  • organic oxides
  • organobromides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • n-acetylarylamine
  • o-haloacetanilide
  • n-arylamide
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • bromobenzene
  • carboxamide group
  • aryl halide
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organobromide
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • aryl bromide
  • organooxygen compound