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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:15 UTC
Update Date2025-03-25 00:45:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151722
Frequency0.5
Structure
Chemical FormulaC11H15N5O
Molecular Mass233.1277
SMILESN=C(N)NC(=N)N=C(O)CCc1ccccc1
InChI KeyPQHCLDODGRQLHK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass guanidines
Direct Parent biguanides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • carboximidamides
  • hydrocarbon derivatives
  • imines
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • imine
  • organic 1,3-dipolar compound
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • biguanide
  • organooxygen compound