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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:01 UTC
Update Date2025-03-21 18:33:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00098135
Frequency28.1
Structure
Chemical FormulaC16H13NO5
Molecular Mass299.0794
SMILESCOc1cc(-c2nc3cc(O)cc(O)c3cc2O)ccc1O
InChI KeyFLWOYDWPGXKQTE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass phenylquinolines
Direct Parent phenylquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2-halopyridines
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methoxybenzenes
  • methoxyphenols
  • methylpyridines
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • polyhalopyridines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • phenylquinoline
  • polyhalopyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • pyridine
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound