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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:44 UTC
Update Date2025-03-25 00:46:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02152862
Frequency0.5
Structure
Chemical FormulaC23H33N11O
Molecular Mass479.287
SMILESN=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(C(N)=O)cc1)NC(=N)Nc1ccccc1
InChI KeyZPUKBCHDOZZJIG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent guanidinobenzoic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-arylbiguanides
  • benzamides
  • benzoyl derivatives
  • carboximidamides
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • imines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • guanidine
  • imine
  • benzoyl
  • carboximidamide
  • carboxamide group
  • carboxylic acid derivative
  • benzamide
  • aromatic homomonocyclic compound
  • organic oxide
  • arylbiguanide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1-arylbiguanide
  • guanidinobenzoic acid or derivatives
  • organic nitrogen compound
  • biguanide
  • organooxygen compound