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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:06 UTC
Update Date2025-03-25 00:46:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153727
Frequency0.5
Structure
Chemical FormulaC10H13NO4S
Molecular Mass243.0565
SMILESCS(=O)(=O)NCC1COc2ccccc2O1
InChI KeyCPVBEZLFIMUCLF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass benzo-1,4-dioxanes
Direct Parent benzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aminosulfonyl compounds
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • organic sulfonamides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • oxacyclic compounds
  • para dioxins
    • Substituents
  • benzo-1,4-dioxane
  • organosulfonic acid or derivatives
  • ether
  • aminosulfonyl compound
  • alkyl aryl ether
  • organosulfur compound
  • organosulfonic acid amide
  • oxacycle
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • para-dioxin
  • aromatic heteropolycyclic compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic sulfonic acid amide
  • organooxygen compound