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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:55 UTC
Update Date2025-03-25 00:56:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219649
Frequency0.5
Structure
Chemical FormulaC17H19NO6S
Molecular Mass365.0933
SMILESCOc1cc2c(cc1O)C(Cc1ccc(OS(=O)(=O)O)cc1)NCC2
InChI KeyZSJRNQVBSBDIIN-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
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
  • tetrahydroisoquinolines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • phenylsulfate
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • arylsulfate
  • secondary aliphatic amine
  • organic sulfuric acid or derivatives
  • azacycle
  • secondary amine
  • benzylisoquinoline
  • organic oxygen compound
  • anisole
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound
  • amine