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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:20 UTC
Update Date2025-03-25 01:01:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250174
Frequency0.5
Structure
Chemical FormulaC11H7ClO5S
Molecular Mass285.9703
SMILESO=C(O)c1cccc2cc(S(=O)(=O)O)c(Cl)cc12
InChI KeyBTXKDYRMXPVMRL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalene sulfonic acids and derivatives
Direct Parent 2-naphthalene sulfonates
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 1-sulfo,2-unsubstituted aromatic compounds
  • 2-naphthalene sulfonic acids and derivatives
  • aryl chlorides
  • arylsulfonic acids and derivatives
  • chloronaphthalenes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • naphthalenecarboxylic acids
  • organic oxides
  • organochlorides
  • organooxygen compounds
  • organosulfonic acids
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • carboxylic acid
  • organochloride
  • organosulfonic acid
  • 1-naphthalenecarboxylic acid
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • 1-carboxy-2-haloaromatic compound
  • 2-naphthalene sulfonate
  • aryl chloride
  • 1-sulfo,2-unsubstituted aromatic compound
  • chloronaphthalene
  • aromatic homopolycyclic compound
  • aryl halide
  • 2-naphthalene sulfonic acid or derivatives
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • arylsulfonic acid or derivatives
  • 1-naphthalenecarboxylic acid or derivatives
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound