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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:04 UTC
Update Date2025-03-25 01:01:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251847
Frequency0.5
Structure
Chemical FormulaC8H6O5S
Molecular Mass213.9936
SMILESO=S1(=O)OC2Oc3ccccc3C2O1
InChI KeyCJNYFZHBJNTTHG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classcoumarans
Subclass coumarans
Direct Parent coumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl sulfates
  • benzenoids
  • dioxathiolanes
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • sulfuric acid diesters
    • Substituents
  • dioxathiolane
  • organic sulfuric acid or derivatives
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • sulfuric acid diester
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • coumaran
  • organooxygen compound