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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:54 UTC
Update Date2025-03-25 00:59:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02237603
Frequency0.5
Structure
Chemical FormulaC14H14N2O2
Molecular Mass242.1055
SMILESNc1c(O)cccc1C(=O)NCc1ccccc1
InChI KeyVDBJWSBHEWCCQE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent n-benzylbenzamides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • amino acids and derivatives
  • benzoyl derivatives
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • secondary carboxylic acid amides
  • vinylogous amides
  • Substituents
  • amino acid or derivatives
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • n-benzylbenzamide
  • organonitrogen compound
  • organopnictogen compound
  • vinylogous amide
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound