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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:13 UTC
Update Date2025-03-25 00:57:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227085
Frequency0.5
Structure
Chemical FormulaC16H18N2O4
Molecular Mass302.1267
SMILESCC(C)c1ccc(C(=O)O)n1CC(=O)Nc1ccccc1O
InChI KeySRIMASZCAGRBFV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent anilides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • pyrrole 2-carboxylic acids
  • pyrrole carboxylic acids and derivatives
  • secondary carboxylic acid amides
  • substituted pyrroles
  • Substituents
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • n-arylamide
  • substituted pyrrole
  • carboxylic acid derivative
  • organic oxide
  • pyrrole-2-carboxylic acid
  • pyrrole-2-carboxylic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • anilide
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound