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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:10:09 UTC
Update Date2025-03-21 18:31:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00086461
Frequency33.0
Structure
Chemical FormulaC15H14O6S
Molecular Mass322.0511
SMILESO=S(O)Oc1cc(O)c2c(c1)OC(c1ccccc1)C(O)C2
InChI KeyHOUDJGWRISQKDR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 3-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 5-hydroxyflavonoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • flavan-3-ols
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • benzopyran
  • 1-benzopyran
  • flavan
  • 5-hydroxyflavonoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • chromane
  • hydrocarbon derivative
  • benzenoid
  • flavan-3-ol
  • organoheterocyclic compound
  • organooxygen compound