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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:39 UTC
Update Date2025-03-21 18:40:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00128644
Frequency24.8
Structure
Chemical FormulaC12H13NO4
Molecular Mass235.0845
SMILESCC(O)C(O)c1cc(O)c2cccc(O)c2n1
InChI KeyBLVQBXNVRNFJGK-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
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2-halopyridines
  • aromatic alcohols
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • polyhalopyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • 1,2-diol
  • alcohol
  • 8-hydroxyquinoline
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • 1-hydroxy-4-unsubstituted benzenoid
  • pyridine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound