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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:14 UTC
Update Date2025-03-25 00:46:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158496
Frequency0.5
Structure
Chemical FormulaC15H18N2O5
Molecular Mass306.1216
SMILESOCC1OC(O)C(Nc2ccnc3ccccc23)C(O)C1O
InChI KeyIWSFZSZWJAYYDF-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
  • azacyclic compounds
  • benzenoids
  • hemiacetals
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monosaccharides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • polyhalopyridines
  • primary alcohols
  • secondary alcohols
  • secondary alkylarylamines
    • Substituents
  • polyhalopyridine
  • monosaccharide
  • saccharide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • hemiacetal
  • 2-halopyridine
  • oxane
  • primary alcohol
  • alcohol
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • secondary amine
  • secondary aliphatic/aromatic amine
  • oxacycle
  • pyridine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound