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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:51 UTC
Update Date2025-03-25 00:54:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205461
Frequency0.5
Structure
Chemical FormulaC18H23N9O2
Molecular Mass397.1975
SMILESNC(N)=NCCCC(=O)c1ccc(NCC2=Nc3c([nH]c(N)nc3=O)NC2)cc1
InChI KeyXDCZPXBQSSEUGB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl alkyl ketones
  • azacyclic compounds
  • benzoyl derivatives
  • butyrophenones
  • carboximidamides
  • guanidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • phenylalkylamines
  • phenylbutylamines
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • pterins and derivatives
  • pyrimidones
  • secondary alkylarylamines
  • vinylogous amides
    • Substituents
  • ketimine
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • guanidine
  • imine
  • benzoyl
  • pyrimidone
  • pteridine
  • pyrimidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • phenylbutylamine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • vinylogous amide
  • pterin
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboximidamide
  • secondary amine
  • secondary aliphatic/aromatic amine
  • butyrophenone
  • phenylalkylamine
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • alkyl-phenylketone