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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:39:49 UTC
Update Date2025-03-21 17:58:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00015012
Frequency291.3
Structure
Chemical FormulaC6H7NO2
Molecular Mass125.0477
SMILESCc1ccc(C(=O)O)[nH]1
InChI KeyUFYABCWJPZTWHA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass pyrrole carboxylic acids and derivatives
Direct Parent pyrrole 2-carboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyrrole carboxylic acids and derivatives
  • Substituents
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • pyrrole-2-carboxylic acid
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound