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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:53 UTC
Update Date2025-03-21 18:41:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136079
Frequency18.4
Structure
Chemical FormulaC16H13NO2
Molecular Mass251.0946
SMILESCOc1ccc(-c2cc(=O)c3ccccc3[nH]2)cc1
InChI KeyYKUDSEKRLNZNTN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass phenylquinolines
Direct Parent phenylquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroquinolines
  • hydroquinolones
  • methoxybenzenes
  • methylpyridines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • polyhalopyridines
  • vinylogous amides
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • phenylquinoline
  • polyhalopyridine
  • alkyl aryl ether
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • dihydroquinoline
  • methylpyridine
  • methoxybenzene
  • dihydroquinolone
  • pyridine
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound