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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:28 UTC
Update Date2025-03-25 00:46:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154611
Frequency0.5
Structure
Chemical FormulaC16H17NO3
Molecular Mass271.1208
SMILESCOc1ccc(C2Nc3cc(O)ccc3CC2O)cc1
InChI KeyGKFXKBCAWZHXRA-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
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • hydrocarbon derivatives
  • hydroquinolines
  • methoxybenzenes
  • organopnictogen compounds
  • phenoxy compounds
  • secondary alcohols
  • secondary alkylarylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • phenylquinoline
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • tetrahydroquinoline
  • alcohol
  • azacycle
  • secondary amine
  • methoxybenzene
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound