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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:54 UTC
Update Date2025-03-25 00:47:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162191
Frequency0.5
Structure
Chemical FormulaC23H22N2O4
Molecular Mass390.158
SMILESC=CC1=C(C)C(=CC2=NC(=Cc3ccc(OC)cc3)C(CC(=O)O)=C2C)NC1=O
InChI KeyRJYQWLMUYLBOMH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • ketimines
  • lactams
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • ketimine
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • imine
  • alkyl aryl ether
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • organic 1,3-dipolar compound
  • carboxamide group
  • methoxybenzene
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound