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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:11 UTC
Update Date2025-03-25 00:50:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178945
Frequency0.5
Structure
Chemical FormulaC23H26O16S
Molecular Mass590.0942
SMILESCOc1ccc(C2Oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(O)c3CC2O)cc1OCOS(=O)(=O)O
InChI KeyVPUAGQGXTSDJCV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavonoid glycosides
Direct Parent flavonoid-7-o-glucuronides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3-hydroxyflavonoids
  • 4'-o-methylated flavonoids
  • 5-hydroxyflavonoids
  • acetals
  • alkyl aryl ethers
  • alkyl sulfates
  • anisoles
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • catechins
  • flavonoid-7-o-glycosides
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • carboxylic acid
  • 1-benzopyran
  • o-glucuronide
  • monosaccharide
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • acetal
  • catechin
  • oxane
  • flavan-3-ol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • 5-hydroxyflavonoid
  • methoxybenzene
  • anisole
  • 4p-methoxyflavonoid-skeleton
  • hydrocarbon derivative
  • phenoxy compound
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • glucuronic acid or derivatives
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • chromane
  • flavonoid-7-o-glycoside
  • pyran carboxylic acid or derivatives
  • organic sulfuric acid or derivatives
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • flavonoid-7-o-glucuronide
  • secondary alcohol
  • sulfate-ester
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound