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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:11 UTC
Update Date2025-03-25 00:57:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222614
Frequency0.5
Structure
Chemical FormulaC21H24O12S
Molecular Mass500.0988
SMILESO=S(O)CC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)c(O)c2)C(O)C3)C(O)C(O)C1O
InChI KeyLOMLLPKEHJCIBL-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-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • acetals
  • alkanesulfinic acids and derivatives
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • catechins
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organosulfur compounds
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • secondary alcohols
  • sulfinic acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • flavan
  • sulfinic acid derivative
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • alkyl aryl ether
  • organosulfur compound
  • sulfinic acid
  • alkanesulfinic acid or derivatives
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • chromane
  • catechin
  • oxane
  • flavan-3-ol
  • organoheterocyclic compound
  • flavonoid-7-o-glycoside
  • alcohol
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound