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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:00 UTC
Update Date2025-03-25 00:59:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235630
Frequency0.5
Structure
Chemical FormulaC22H26O14S
Molecular Mass546.1043
SMILESCOc1ccc(C2Oc3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3CC2OS(=O)(=O)O)cc1O
InChI KeyJYZAUNIESMZNMA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavonoid glycosides
Direct Parent flavonoid o-glycosides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 3-sulfated flavonoids
  • 4'-o-methylated flavonoids
  • 7-hydroxyflavonoids
  • acetals
  • alkyl aryl ethers
  • alkyl sulfates
  • anisoles
  • catechins
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • monosaccharide
  • alkyl aryl ether
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • chromane
  • catechin
  • oxane
  • flavan-3-ol
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • organic sulfuric acid or derivatives
  • flavonoid-5-o-glycoside
  • 3-sulfated flavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • flavonoid o-glycoside
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • anisole
  • 7-hydroxyflavonoid
  • secondary alcohol
  • 4p-methoxyflavonoid-skeleton
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound