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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:39 UTC
Update Date2025-03-21 18:41:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00135545
Frequency18.5
Structure
Chemical FormulaC7H9NO3
Molecular Mass155.0582
SMILESO=C(O)c1ccc(CCO)[nH]1
InChI KeyDDLIQZRJXIUCPJ-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
  • alcohols and polyols
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrole carboxylic acids and derivatives
  • Substituents
  • alcohol
  • 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