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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:30 UTC
Update Date2025-03-25 00:51:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186481
Frequency0.5
Structure
Chemical FormulaC9H10N2O
Molecular Mass162.0793
SMILESNC1=NC(CO)c2ccccc21
InChI KeyIZGJNTPKDJBJPU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoindoles and derivatives
Subclass isoindoles
Direct Parent isoindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • benzenoids
  • carboximidamides
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary alcohols
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • alcohol
  • azacycle
  • isoindole
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • primary alcohol
  • imidolactam
  • organooxygen compound