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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:12 UTC
Update Date2025-03-21 18:35:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00103482
Frequency26.3
Structure
Chemical FormulaC13H13NO3
Molecular Mass231.0895
SMILESCC1=C(Cc2ccccc2)C(C(=O)O)NC1=O
InChI KeyCHALVCDPYRYEAW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classpeptidomimetics
Subclass hybrid peptides
Direct Parent hybrid peptides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroline 2-carboxylic acids
  • secondary carboxylic acid amides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • cyclic hybrid peptide
  • azacycle
  • pyrroline carboxylic acid or derivatives
  • carboxamide group
  • pyrroline 2-carboxylic acid
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline
  • pyrroline carboxylic acid
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound