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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:38 UTC
Update Date2025-03-25 00:46:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157210
Frequency0.5
Structure
Chemical FormulaC11H12N2O5
Molecular Mass252.0746
SMILESO=C1NC(Cc2ccc(O)c(O)c2)C(C(=O)O)N1
InChI KeyKGWYLDPAMWXDJO-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
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • imidazolidinones
  • monocarboxylic acids and derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • imidazolidine
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • imidazolidinone
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • carbonic acid derivative
  • azacycle
  • 1-hydroxy-4-unsubstituted benzenoid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound