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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:11 UTC
Update Date2025-03-21 18:32:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00091211
Frequency53.8
Structure
Chemical FormulaC8H11N3
Molecular Mass149.0953
SMILESCc1ccccc1N=C(N)N
InChI KeyVVFVRTNNLLZXAL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass toluenes
Direct Parent toluenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • guanidines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aromatic homomonocyclic compound
  • guanidine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • organic nitrogen compound
  • toluene
  • propargyl-type 1,3-dipolar organic compound