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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:52 UTC
Update Date2025-03-21 18:02:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00038280
Frequency91.5
Structure
Chemical FormulaC14H17NO7
Molecular Mass311.1005
SMILESCOc1cc(CC(=O)NC(CCC(=O)O)C(=O)O)ccc1O
InChI KeyCQKXQUMYMBYFLU-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
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • alpha amino acids
  • anisoles
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • n-acyl-alpha amino acids
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • phenylacetamides
  • secondary carboxylic acid amides
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • phenylacetamide
  • n-acyl-alpha amino acid or derivatives
  • n-acyl-alpha-amino acid
  • glutamic acid or derivatives
  • carboxamide group
  • methoxybenzene
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • anisole
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound