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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:35 UTC
Update Date2025-03-25 01:01:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250741
Frequency0.5
Structure
Chemical FormulaC14H14N2O5
Molecular Mass290.0903
SMILESO=C(O)CCC(N=Cc1c[nH]c2ccc(O)cc12)C(=O)O
InChI KeyJTKZDKRUWKFWII-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent glutamic acid and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aldimines
  • alpha amino acids
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
    • Substituents
  • carbonyl group
  • carboxylic acid
  • indole
  • imine
  • 1-hydroxy-2-unsubstituted benzenoid
  • propargyl-type 1,3-dipolar organic compound
  • aldimine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • heteroaromatic compound
  • indole or derivatives
  • organic 1,3-dipolar compound
  • glutamic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound