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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:45 UTC
Update Date2025-03-25 00:59:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239501
Frequency0.5
Structure
Chemical FormulaC8H10N2O4
Molecular Mass198.0641
SMILESO=Cc1ncc(CO)n1CCC(=O)O
InChI KeyIBSJERWNWOYIOA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent 1,2,5-trisubstituted imidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • aryl-aldehydes
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monocarboxylic acids and derivatives
  • n-substituted imidazoles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aromatic alcohol
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • organic oxide
  • aryl-aldehyde
  • organonitrogen compound
  • organopnictogen compound
  • n-substituted imidazole
  • alcohol
  • azacycle
  • heteroaromatic compound
  • aldehyde
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 1,2,5-trisubstituted-imidazole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound