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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:42 UTC
Update Date2025-03-25 00:53:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200585
Frequency0.5
Structure
Chemical FormulaC22H24O12S
Molecular Mass512.0988
SMILESCOc1ccc(C2COc3cc(S(=O)O)cc(O)c3C2)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyOFEFMQBLLBRBME-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflavonoid o-glycosides
Direct Parent isoflavonoid o-glycosides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 4'-o-methylated isoflavonoids
  • acetals
  • alkyl aryl ethers
  • anisoles
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • isoflavanols
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • organosulfur compounds
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
  • sulfinic acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carboxylic acid
  • 1-benzopyran
  • sulfinic acid derivative
  • o-glucuronide
  • monosaccharide
  • pyran carboxylic acid
  • sulfinic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • acetal
  • oxane
  • organoheterocyclic compound
  • 4p-methoxyisoflavonoid
  • alcohol
  • isoflavan
  • benzopyran
  • isoflavonoid-3p-o-glycoside
  • methoxybenzene
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • carbonyl group
  • ether
  • glucuronic acid or derivatives
  • isoflavanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • pyran carboxylic acid or derivatives
  • isoflavonoid o-glycoside
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • benzenoid
  • organooxygen compound