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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:49 UTC
Update Date2025-03-25 00:59:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02237431
Frequency0.5
Structure
Chemical FormulaC14H11NO3
Molecular Mass241.0739
SMILESNc1cccc(C(=O)c2cccc(C(=O)O)c2)c1
InChI KeyRCMOGWAYNFFHIZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzophenones
Direct Parent benzophenones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • amino acids
  • aryl ketones
  • aryl-phenylketones
  • benzoic acids
  • benzoyl derivatives
  • carboxylic acids
  • diphenylmethanes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • Substituents
  • diphenylmethane
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • benzoyl
  • carboxylic acid derivative
  • benzophenone
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • benzoic acid
  • aryl-phenylketone
  • benzoic acid or derivatives
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound
  • aryl ketone