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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:13 UTC
Update Date2025-03-21 18:35:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105967
Frequency25.5
Structure
Chemical FormulaC10H13NO4S
Molecular Mass243.0565
SMILESCC1NCCc2cc(OS(=O)(=O)O)ccc21
InChI KeyFETMTEKXLVMOBW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • arylsulfates
  • azacyclic compounds
  • benzenoids
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • sulfuric acid monoesters
    • Substituents
  • secondary aliphatic amine
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • azacycle
  • secondary amine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • sulfate-ester
  • hydrocarbon derivative
  • arylsulfate
  • benzenoid
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound
  • amine