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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:06 UTC
Update Date2025-03-25 00:59:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235851
Frequency0.5
Structure
Chemical FormulaC15H12ClNO2
Molecular Mass273.0557
SMILESCOc1cc2c(cc1Cl)CCc1cccnc1C2=O
InChI KeyBKWVUYISIWWQPU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzocycloheptapyridines
Subclass benzocycloheptapyridines
Direct Parent benzocycloheptapyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • anisoles
  • aryl chlorides
  • aryl ketones
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
    • Substituents
  • phenol ether
  • ether
  • polyhalopyridine
  • organochloride
  • alkyl aryl ether
  • organohalogen compound
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • aryl chloride
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • aryl halide
  • pyridine
  • organic oxygen compound
  • benzocycloheptapyridine
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • aryl ketone