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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:53 UTC
Update Date2025-03-25 00:47:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159940
Frequency0.5
Structure
Chemical FormulaC15H11O6S+
Molecular Mass319.0271
SMILESO=S(=O)(O)Oc1cc2ccccc2[o+]c1-c1ccc(O)cc1
InChI KeyWOLXEOHBPCKLBR-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass sulfated flavonoids
Direct Parent 3-sulfated flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 4'-hydroxyflavonoids
  • anthocyanidins
  • arylsulfates
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic oxide
  • aromatic heteropolycyclic compound
  • anthocyanidin
  • arylsulfate
  • organic cation
  • organoheterocyclic compound
  • benzopyran
  • organic sulfuric acid or derivatives
  • 3-sulfated flavonoid
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • 4'-hydroxyflavonoid
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound