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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:13 UTC
Update Date2025-03-21 18:39:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125142
Frequency20.5
Structure
Chemical FormulaC8H9ClN2O3S
Molecular Mass248.0022
SMILESNS(=O)(=O)c1cc2c(cc1Cl)NCCO2
InChI KeyRFFGEWJKRZIFLO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazines
Direct Parent benzoxazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aminosulfonyl compounds
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • benzomorpholines
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • organosulfonamides
  • oxacyclic compounds
  • secondary alkylarylamines
    • Substituents
  • organosulfonic acid or derivatives
  • ether
  • organochloride
  • alkyl aryl ether
  • organosulfur compound
  • organohalogen compound
  • benzomorpholine
  • organosulfonic acid amide
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • aryl chloride
  • azacycle
  • aminosulfonyl compound
  • benzoxazine
  • secondary amine
  • oxazinane
  • secondary aliphatic/aromatic amine
  • aryl halide
  • oxacycle
  • morpholine
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound