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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:55:03 UTC
Update Date2025-03-21 18:04:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00050639
Frequency64.8
Structure
Chemical FormulaC11H9NO2
Molecular Mass187.0633
SMILESO=C(Nc1ccccc1)c1ccco1
InChI KeyXHVDWCKBZSFUDE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent 2-furanilides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-heteroaryl carboxamides
  • benzene and substituted derivatives
  • carboxylic acids and derivatives
  • furoic acid and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
  • Substituents
  • furan
  • furoic acid or derivatives
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • 2-heteroaryl carboxamide
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • 2-furanilide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound