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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:35:12 UTC
Update Date2025-03-21 17:56:54 UTC
HMDB IDHMDB0013292
Metabolite Identification
DeepMet IDDMID00004325
Namep-Methylhippuric acid
Frequency1460.8
Structure
Chemical FormulaC10H11NO3
Molecular Mass193.0739
SMILESCc1ccc(C(=O)NCC(=O)O)cc1
InChI KeyNRSCPTLHWVWLLH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent acyl glycines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha amino acids
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acids
  • hippuric acids and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • p-toluamides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • benzoyl
  • toluamide
  • benzamide
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hippuric acid or derivatives
  • benzoic acid or derivatives
  • carboxamide group
  • n-acylglycine
  • p-toluamide
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • toluene
  • organooxygen compound