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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:40 UTC
Update Date2025-03-21 18:38:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00121549
Frequency21.3
Structure
Chemical FormulaC9H10N2O
Molecular Mass162.0793
SMILESOc1ccc(C2=NCCN2)cc1
InChI KeyNPDVQVNFWYFKNU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • benzene and substituted derivatives
  • carboximidamides
  • hydrocarbon derivatives
  • imidazolines
  • imidolactams
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • 2-imidazoline
  • imidazoline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • imidolactam
  • organoheterocyclic compound
  • organooxygen compound