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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:39 UTC
Update Date2025-03-25 00:54:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205043
Frequency0.5
Structure
Chemical FormulaC15H11O6S+
Molecular Mass319.0271
SMILESO=S(=O)(O)Oc1cc(O)cc2[o+]c(-c3ccccc3)ccc12
InChI KeyXJCPLSQQVWIBLY-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 7-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 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
  • benzopyran
  • organic sulfuric acid or derivatives
  • 1-benzopyran
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 7-hydroxyflavonoid
  • anthocyanidin
  • sulfate-ester
  • hydrocarbon derivative
  • arylsulfate
  • benzenoid
  • organic cation
  • sulfuric acid ester
  • organoheterocyclic compound
  • organooxygen compound