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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:46 UTC
Update Date2025-03-25 00:46:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02152942
Frequency0.5
Structure
Chemical FormulaC13H16N2O6
Molecular Mass296.1008
SMILESNC(=O)Cc1ccc(OC(CC(N)C(=O)O)C(=O)O)cc1
InChI KeyBFRZZEJBMHMZSL-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 homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • phenoxyacetic acid derivatives
  • phenylacetamides
  • primary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • phenol ether
  • monocyclic benzene moiety
  • phenoxyacetate
  • carbonyl group
  • ether
  • carboxylic acid
  • alkyl aryl ether
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • phenylacetamide
  • glutamic acid or derivatives
  • carboxamide group
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound