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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:17 UTC
Update Date2025-03-25 00:49:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176892
Frequency0.5
Structure
Chemical FormulaC16H12O8S
Molecular Mass364.0253
SMILESCOS(=O)(=O)Oc1cc(O)cc2c(=O)c(-c3ccc(O)cc3)coc12
InChI KeyQTOJPMDPGIGHRD-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
  • alkyl sulfates
  • arylsulfates
  • benzene and substituted derivatives
  • chromones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isoflavonoids
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • sulfuric acid diesters
    • Substituents
  • monocyclic benzene moiety
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic oxide
  • sulfuric acid diester
  • chromone
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • pyranone
  • arylsulfate
  • organoheterocyclic compound
  • isoflavone
  • benzopyran
  • organic sulfuric acid or derivatives
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • pyran
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound