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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:23 UTC
Update Date2025-03-25 00:47:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161048
Frequency0.5
Structure
Chemical FormulaC13H16N2
Molecular Mass200.1313
SMILESNC1=NC2(CCCCC2)c2ccccc21
InChI KeyLROMGWWNDNBAKE-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
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • isoindole
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • imidolactam