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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:17 UTC
Update Date2025-03-25 00:54:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204184
Frequency0.5
Structure
Chemical FormulaC17H19NO4
Molecular Mass301.1314
SMILESOc1ccc(C(O)CN2CCc3cc(O)c(O)cc3C2)cc1
InChI KeyBUBIYQBJVXKALZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 1-hydroxy-2-unsubstituted benzenoids
  • aralkylamines
  • aromatic alcohols
  • azacyclic compounds
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • azacycle
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • aralkylamine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • secondary alcohol
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound