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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:39 UTC
Update Date2025-03-25 00:48:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166238
Frequency0.5
Structure
Chemical FormulaC19H17ClN2O
Molecular Mass324.1029
SMILESCC1OC(Cn2ccnc2)(c2ccc(Cl)cc2)c2ccccc21
InChI KeyBMPSJILJFILWPE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisocoumarans
Subclass isocoumarans
Direct Parent isocoumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • chlorobenzenes
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • n-substituted imidazoles
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • organochloride
  • organohalogen compound
  • dialkyl ether
  • isocoumaran
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • azole
  • n-substituted imidazole
  • aryl chloride
  • chlorobenzene
  • azacycle
  • heteroaromatic compound
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound