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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:29 UTC
Update Date2025-03-25 00:54:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204642
Frequency0.5
Structure
Chemical FormulaC14H10O9S
Molecular Mass354.0046
SMILESO=C1c2c(cc(O)cc2OS(=O)(=O)O)OC1c1ccc(O)c(O)c1
InChI KeyNEJZTNROQKPRFA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Class2-arylbenzofuran flavonoids
Subclass 2-arylbenzofuran flavonoids
Direct Parent 2-arylbenzofuran flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • arylsulfates
  • benzene and substituted derivatives
  • benzofuranones
  • coumarans
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • aryl alkyl ketone
  • benzofuranone
  • 2-arylbenzofuran flavonoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • arylsulfate
  • organoheterocyclic compound
  • coumaran
  • organic sulfuric acid or derivatives
  • benzofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound
  • aryl ketone