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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:39 UTC
Update Date2025-03-21 18:28:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00073311
Frequency40.7
Structure
Chemical FormulaC18H21NO4
Molecular Mass315.1471
SMILESCOc1cc2c(cc1O)C(Cc1cc(O)cc(O)c1)N(C)CC2
InChI KeyNDNZFBACVRYNLI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoquinolines and derivatives
Subclass benzylisoquinolines
Direct Parent benzylisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • aralkylamines
  • azacyclic compounds
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organopnictogen compounds
  • resorcinols
  • tetrahydroisoquinolines
  • trialkylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • aralkylamine
  • resorcinol
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • tertiary amine
  • azacycle
  • tertiary aliphatic amine
  • 1-hydroxy-4-unsubstituted benzenoid
  • benzylisoquinoline
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound