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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:51 UTC
Update Date2025-03-25 01:01:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249036
Frequency0.5
Structure
Chemical FormulaC11H11N3O2
Molecular Mass217.0851
SMILESCOc1ccc2c(c1)C1NC(=O)NC1C=N2
InChI KeySUIBYNSHWVOKQT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • carbonyl compounds
  • hydrocarbon derivatives
  • imidazolidinones
  • imines
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • imidazolidine
  • carbonyl group
  • ether
  • carbonic acid derivative
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • alkyl aryl ether
  • propargyl-type 1,3-dipolar organic compound
  • imidazolidinone
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound