Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:12 UTC
Update Date2025-03-21 18:39:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125134
Frequency27.8
Structure
Chemical FormulaC11H12N2O
Molecular Mass188.095
SMILESCC1=NC(Cc2ccccc2)C(O)=N1
InChI KeyVNLSGAZHVIZYOJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • imidazoles
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound