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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:35 UTC
Update Date2025-03-25 00:56:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218889
Frequency0.5
Structure
Chemical FormulaC16H16O9S2
Molecular Mass416.0236
SMILESCOc1ccc(C2Oc3cc(S(=O)O)cc(OS(=O)(=O)O)c3CC2O)cc1
InChI KeyUUOXGCNCCFBNHP-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
  • 3-hydroxyflavonoids
  • alkyl aryl ethers
  • anisoles
  • arylsulfates
  • flavan-3-ols
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • organosulfur compounds
  • oxacyclic compounds
  • phenoxy compounds
  • secondary alcohols
  • sulfinic acids
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • sulfuric acid monoester
  • ether
  • 1-benzopyran
  • flavan
  • sulfinic acid derivative
  • alkyl aryl ether
  • organosulfur compound
  • sulfinic acid
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • arylsulfate
  • flavan-3-ol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • organic sulfuric acid or derivatives
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • 4p-methoxyflavonoid-skeleton
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound