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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:58 UTC
Update Date2025-03-25 00:47:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160104
Frequency0.5
Structure
Chemical FormulaC7H7N3O4S
Molecular Mass229.0157
SMILESO=[N+]([O-])c1cccc2c1S(=O)(=O)NCN2
InChI KeyOJLANXIQYPBSAM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiadiazines
Subclass benzothiadiazines
Direct Parent 1,2,4-benzothiadiazine-1,1-dioxides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • organosulfonamides
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alkylarylamines
    • Substituents
  • organosulfonic acid or derivatives
  • allyl-type 1,3-dipolar organic compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organosulfonic acid amide
  • organic oxide
  • aromatic heteropolycyclic compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • 1,2,4-benzothiadiazine-1,1-dioxide
  • organic oxoazanium
  • nitroaromatic compound
  • azacycle
  • organic 1,3-dipolar compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organic hyponitrite