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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:46 UTC
Update Date2025-03-25 01:01:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248853
Frequency0.5
Structure
Chemical FormulaC22H20O7S
Molecular Mass428.093
SMILESCOc1ccc(C2CC(c3ccc(O)cc3)c3c(O)cc(S(=O)O)cc3O2)cc1O
InChI KeyUINYTTBOKDMTKF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass o-methylated flavonoids
Direct Parent 4'-o-methylated flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • alkyl aryl ethers
  • anisoles
  • flavans
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • neoflavans
  • organic oxides
  • organosulfur compounds
  • oxacyclic compounds
  • phenoxy compounds
  • sulfinic acids
    • Substituents
  • neoflavan
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • flavan
  • sulfinic acid derivative
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organosulfur compound
  • sulfinic acid
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • neoflavonoid skeleton
  • organoheterocyclic compound
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • anisole
  • 4p-methoxyflavonoid-skeleton
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound