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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:12 UTC
Update Date2025-03-25 00:56:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217992
Frequency0.5
Structure
Chemical FormulaC11H12NO5P
Molecular Mass269.0453
SMILESO=P(O)(O)OCCc1cnc2c(O)cccc2c1
InChI KeyAQFIZFUXJWUHOW-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
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monoalkyl phosphates
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
    • Substituents
  • polyhalopyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • 8-hydroxyquinoline
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • 1-hydroxy-4-unsubstituted benzenoid
  • pyridine
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound