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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:44 UTC
Update Date2025-03-25 00:56:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219247
Frequency0.5
Structure
Chemical FormulaC18H21NO4
Molecular Mass315.1471
SMILESCOc1ccc2c(c1)CC(O)C(c1ccc(OC)c(OC)c1)N2
InChI KeyRDOVVCBUXUYQND-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass phenylquinolines
Direct Parent phenylquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • hydroquinolines
  • organopnictogen compounds
  • phenoxy compounds
  • secondary alcohols
  • secondary alkylarylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • phenylquinoline
  • alkyl aryl ether
  • dimethoxybenzene
  • aromatic heteropolycyclic compound
  • o-dimethoxybenzene
  • 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