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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:31 UTC
Update Date2025-03-21 18:35:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104267
Frequency26.0
Structure
Chemical FormulaC13H16N2O3
Molecular Mass248.1161
SMILESCOc1c(O)ccc2c(CCNC(C)=O)c[nH]c12
InChI KeyXRWZBDXNDZHTFL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetamides
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • secondary carboxylic acid amides
    • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • indole
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • anisole
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound