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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:00 UTC
Update Date2025-03-25 01:01:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251701
Frequency0.5
Structure
Chemical FormulaC15H12O9S
Molecular Mass368.0202
SMILESO=C1c2cc(O)cc(O)c2OC(c2ccc(O)cc2)C1OS(=O)(=O)O
InChI KeyKHJYDZJTVHMEFZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass sulfated flavonoids
Direct Parent 3-sulfated flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 4'-hydroxyflavonoids
  • 6-hydroxyflavonoids
  • 8-hydroxyflavonoids
  • alkyl aryl ethers
  • alkyl sulfates
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • chromones
  • flavanonols
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • sulfuric acid monoesters
    • Substituents
  • 8-hydroxyflavonoid
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • flavanone
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • ketone
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • chromane
  • organoheterocyclic compound
  • benzopyran
  • organic sulfuric acid or derivatives
  • 3-sulfated flavonoid
  • 6-hydroxyflavonoid
  • flavanonol
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • 4'-hydroxyflavonoid
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound
  • aryl ketone