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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:26 UTC
Update Date2025-03-25 00:59:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02234306
Frequency0.5
Structure
Chemical FormulaC12H11NO3
Molecular Mass217.0739
SMILESCOC(=O)c1cnc2cc(OC)ccc2c1
InChI KeyMWPAWFRYCVOTTE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass quinolines and derivatives
Direct Parent quinolines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methyl esters
  • methylpyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyridine-3-carboxylic acids
    • Substituents
  • pyridine carboxylic acid or derivatives
  • phenol ether
  • ether
  • pyridine-3-carboxylic acid
  • polyhalopyridine
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • methyl ester
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • 2-halopyridine
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • monocarboxylic acid or derivatives
  • pyridine
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • pyridine carboxylic acid
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound