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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:55 UTC
Update Date2025-03-25 00:46:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153296
Frequency0.5
Structure
Chemical FormulaC13H13N3O2
Molecular Mass243.1008
SMILESCOc1ccc2[nH]cc(C(=O)C3=NCCN3)c2c1
InChI KeyPZEQCQFGWFJZTD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • amidines
  • anisoles
  • aryl ketones
  • azacyclic compounds
  • carboximidamides
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazolines
  • imidolactams
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
  • vinylogous amides
    • Substituents
  • phenol ether
  • ether
  • indole
  • amidine
  • alkyl aryl ether
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboximidamide
  • organic oxygen compound
  • 2-imidazoline
  • anisole
  • imidazoline
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • aryl ketone