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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:15 UTC
Update Date2025-03-25 00:56:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218099
Frequency0.5
Structure
Chemical FormulaC19H14Cl2N4O2
Molecular Mass400.0494
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(Cc3ccc(Cl)cc3Cl)c2cc1C
InChI KeyAFMZNZAEIGJEFY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass alloxazines and isoalloxazines
Direct Parent flavins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • diazanaphthalenes
  • dichlorobenzenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyrazines
  • pyrimidones
  • quinoxalines
  • Substituents
  • monocyclic benzene moiety
  • lactam
  • organochloride
  • pyrimidone
  • organohalogen compound
  • flavin
  • pyrimidine
  • 1,3-dichlorobenzene
  • organic oxide
  • diazanaphthalene
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • aryl chloride
  • chlorobenzene
  • quinoxaline
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • aryl halide
  • organic oxygen compound
  • pyrazine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound