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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:12 UTC
Update Date2025-03-25 00:45:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149227
Frequency0.5
Structure
Chemical FormulaC7H8N2O4
Molecular Mass184.0484
SMILESO=Cc1ncc(CO)n1CC(=O)O
InChI KeyFVMGVMJCBINURE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2,5-trisubstituted imidazoles
  • 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
  • alpha-amino acid or derivatives
  • organic oxide
  • aryl-aldehyde
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • azacycle
  • heteroaromatic compound
  • aldehyde
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 1,2,5-trisubstituted-imidazole
  • trisubstituted imidazole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound