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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:50 UTC
Update Date2025-03-25 00:56:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221773
Frequency0.5
Structure
Chemical FormulaC12H13N3O
Molecular Mass215.1059
SMILESOC(c1c[nH]c2ccccc12)C1CN=CN1
InChI KeyICHQXNUDDAWANA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • benzenoids
  • carboximidamides
  • formamidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazolines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • indole
  • amidine
  • propargyl-type 1,3-dipolar organic compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboximidamide
  • formamidine
  • organic oxygen compound
  • 2-imidazoline
  • imidazoline
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound