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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:52 UTC
Update Date2025-03-25 00:51:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189614
Frequency0.5
Structure
Chemical FormulaC12H13NO2
Molecular Mass203.0946
SMILESCC(C)Oc1ccc2[nH]c(=O)ccc2c1
InChI KeyVLFADTABGKBBLM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass quinolones and derivatives
Direct Parent hydroquinolones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroquinolines
  • lactams
  • methylpyridines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • polyhalopyridines
  • pyridinones
    • Substituents
  • phenol ether
  • ether
  • lactam
  • polyhalopyridine
  • alkyl aryl ether
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • azacycle
  • heteroaromatic compound
  • dihydroquinoline
  • methylpyridine
  • dihydroquinolone
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • pyridinone
  • organooxygen compound