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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:48 UTC
Update Date2025-03-25 00:58:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230531
Frequency0.5
Structure
Chemical FormulaC11H13NO6S
Molecular Mass287.0464
SMILESCN1CCc2cc3c(c(OS(=O)(=O)O)c2C1)OCO3
InChI KeyVFOPJJYXFFDBBX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • aralkylamines
  • arylsulfates
  • azacyclic compounds
  • benzenoids
  • benzodioxoles
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • sulfuric acid monoesters
  • trialkylamines
    • Substituents
  • sulfuric acid monoester
  • aralkylamine
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • arylsulfate
  • tertiary amine
  • benzodioxole
  • organic sulfuric acid or derivatives
  • azacycle
  • tertiary aliphatic amine
  • oxacycle
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • sulfuric acid ester
  • amine
  • organooxygen compound