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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:00 UTC
Update Date2025-03-25 00:45:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151139
Frequency0.5
Structure
Chemical FormulaC16H12O7S
Molecular Mass348.0304
SMILESCc1oc2ccc(OS(=O)(=O)O)cc2c(=O)c1-c1ccc(O)cc1
InChI KeyQGKOAFDXDOVHOC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflav-2-enes
Direct Parent isoflavones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • arylsulfates
  • benzene and substituted derivatives
  • chromones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isoflavonoids
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • arylsulfate
  • organoheterocyclic compound
  • isoflavone
  • benzopyran
  • organic sulfuric acid or derivatives
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • pyran
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound