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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:26 UTC
Update Date2025-03-21 18:35:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106498
Frequency25.3
Structure
Chemical FormulaC12H11NO3
Molecular Mass217.0739
SMILESO=C(O)CCc1ccc2cccc(O)c2n1
InChI KeyGQKBHVIDABEITJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass 8-hydroxyquinolines
Direct Parent 8-hydroxyquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2-halopyridines
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
    • Substituents
  • carbonyl group
  • carboxylic acid
  • polyhalopyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • 8-hydroxyquinoline
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • 1-hydroxy-4-unsubstituted benzenoid
  • monocarboxylic acid or derivatives
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound