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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:09 UTC
Update Date2025-03-25 00:50:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178841
Frequency0.5
Structure
Chemical FormulaC19H24NO4+
Molecular Mass330.17
SMILESCOc1ccc(C2c3cc(O)c(OC)cc3CC[N+]2(C)C)cc1O
InChI KeyXDJGSDLWCSBCGB-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass 1-phenyltetrahydroisoquinolines
Direct Parent 1-phenyltetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • aralkylamines
  • azacyclic compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic cations
  • organic salts
  • organopnictogen compounds
  • phenoxy compounds
  • tetraalkylammonium salts
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • aralkylamine
  • 1-phenyltetrahydroisoquinoline
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organic salt
  • tetraalkylammonium salt
  • azacycle
  • quaternary ammonium salt
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound