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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:52 UTC
Update Date2025-03-21 18:33:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00097767
Frequency28.2
Structure
Chemical FormulaC9H10O6S
Molecular Mass246.0198
SMILESO=S(=O)(O)OC1COc2ccc(O)cc2C1
InChI KeyWTQZPSMDCSIDMV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • alkyl sulfates
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • ether
  • organic sulfuric acid or derivatives
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound