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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:09 UTC
Update Date2025-03-21 18:35:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105801
Frequency25.5
Structure
Chemical FormulaC21H22O13S
Molecular Mass514.0781
SMILESO=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(COS(=O)(=O)O)C(O)C(O)C3O)cc(O)c21
InChI KeyLBEXQAHGFSHKNN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavonoid glycosides
Direct Parent flavonoid-7-o-glycosides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • acetals
  • alkyl aryl ethers
  • alkyl sulfates
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • chromones
  • flavanones
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • secondary alcohols
  • sulfuric acid monoesters
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • flavanone
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • alkyl aryl ether
  • ketone
  • saccharide
  • organic oxide
  • acetal
  • chromone
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • chromane
  • oxane
  • organoheterocyclic compound
  • flavonoid-7-o-glycoside
  • alcohol
  • benzopyran
  • organic sulfuric acid or derivatives
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound
  • aryl ketone