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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:03 UTC
Update Date2025-03-25 00:50:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183180
Frequency0.5
Structure
Chemical FormulaC15H11O8S+
Molecular Mass351.0169
SMILESO=S(O)Oc1cc(-c2ccc(O)c(O)c2)[o+]c2cc(O)cc(O)c12
InChI KeyUPQJCKXDZIVRKX-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 5-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • anthocyanidins
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
    • Substituents
  • monocyclic benzene moiety
  • benzopyran
  • 1-benzopyran
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • anthocyanidin
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic cation
  • organoheterocyclic compound
  • organooxygen compound