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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:40 UTC
Update Date2025-03-25 00:45:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150366
Frequency0.5
Structure
Chemical FormulaC11H11NO7
Molecular Mass269.0536
SMILESO=C(O)C=CC(O)=C1C=C(C(=O)O)NC(C(=O)O)C1
InChI KeyABGLOWLWFCSWLT-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 aliphatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • tetrahydropyridines
  • tricarboxylic acids and derivatives
  • Substituents
  • secondary aliphatic amine
  • carbonyl group
  • carboxylic acid
  • azacycle
  • amino acid
  • tetrahydropyridine
  • tricarboxylic acid or derivatives
  • secondary amine
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound
  • amine