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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:01 UTC
Update Date2025-03-25 00:49:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171629
Frequency0.5
Structure
Chemical FormulaC11H12N2O6S
Molecular Mass300.0416
SMILESCN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)OCC(=O)N2
InChI KeyVEEMVLNRBBEUBL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazinones
Direct Parent benzoxazinones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • alpha amino acids
  • aminosulfonyl compounds
  • azacyclic compounds
  • benzenoids
  • benzomorpholines
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • oxacyclic compounds
  • secondary carboxylic acid amides
  • Substituents
  • organosulfonic acid or derivatives
  • carbonyl group
  • ether
  • lactam
  • carboxylic acid
  • alpha-amino acid or derivatives
  • alkyl aryl ether
  • organosulfur compound
  • carboxylic acid derivative
  • benzomorpholine
  • organosulfonic acid amide
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • azacycle
  • aminosulfonyl compound
  • carboxamide group
  • oxazinane
  • oxacycle
  • secondary carboxylic acid amide
  • morpholine
  • monocarboxylic acid or derivatives
  • sulfonyl
  • benzoxazinone
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound