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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:09 UTC
Update Date2025-03-25 00:45:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151470
Frequency0.5
Structure
Chemical FormulaC19H14ClN3O2
Molecular Mass351.0775
SMILESN#Cc1ccc2c(c1)OC(Cn1ccnc1)(c1ccc(Cl)cc1)CO2
InChI KeyAANIGGUVOTVDKO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass phenylbenzodioxanes
Direct Parent phenylbenzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aryl chlorides
  • azacyclic compounds
  • benzo-1,4-dioxanes
  • chlorobenzenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • n-substituted imidazoles
  • nitriles
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • para dioxins
    • Substituents
  • monocyclic benzene moiety
  • ether
  • nitrile
  • organochloride
  • alkyl aryl ether
  • organohalogen compound
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • carbonitrile
  • azole
  • n-substituted imidazole
  • aryl chloride
  • chlorobenzene
  • 2-phenylbenzo-1,4-dioxane
  • benzo-1,4-dioxane
  • azacycle
  • heteroaromatic compound
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound