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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:10 UTC
Update Date2025-03-25 00:49:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176590
Frequency0.5
Structure
Chemical FormulaC9H7NO7S
Molecular Mass272.9943
SMILESO=C(O)C1Oc2ccccc2N=C1OS(=O)(=O)O
InChI KeyYYQVPBZHWIYEKE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazines
Direct Parent benzoxazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • carboxylic acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organic sulfuric acid or derivatives
  • azacycle
  • benzoxazine
  • organic 1,3-dipolar compound
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound