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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:11 UTC
Update Date2025-03-21 18:35:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105878
Frequency25.5
Structure
Chemical FormulaC10H11NO3
Molecular Mass193.0739
SMILESCOc1cc2c(cc1O)CCNC2=O
InChI KeyWNXBULWHRHMLAN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoquinolines and derivatives
Subclass isoquinolones and derivatives
Direct Parent isoquinolones and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • tetrahydroisoquinolines
    • Substituents
  • phenol ether
  • ether
  • lactam
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • isoquinolone
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound