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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:13 UTC
Update Date2025-03-21 18:39:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00127552
Frequency20.0
Structure
Chemical FormulaC11H13NO5
Molecular Mass239.0794
SMILESNC(C(=O)O)c1ccc(CC(O)C(=O)O)cc1
InChI KeyABHLZNLPHABOHT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha amino acids
  • alpha hydroxy acids and derivatives
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • alpha-hydroxy acid
  • alpha-amino acid or derivatives
  • hydroxy acid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound