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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:54 UTC
Update Date2025-03-21 18:35:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105187
Frequency25.7
Structure
Chemical FormulaC10H9NO4S
Molecular Mass239.0252
SMILESNc1cccc2ccc(OS(=O)(=O)O)cc12
InChI KeyBIIVSVVWKYLRNU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • arylsulfates
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • aromatic homopolycyclic compound
  • organic oxide
  • naphthalene
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • sulfate-ester
  • hydrocarbon derivative
  • arylsulfate
  • primary amine
  • organic nitrogen compound
  • sulfuric acid ester
  • amine
  • organooxygen compound