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Record Information
HMDB Statuspredicted
Creation Date2024-02-21 00:02:20 UTC
Update Date2025-03-21 18:07:11 UTC
HMDB IDHMDB0125395
Metabolite Identification
DeepMet IDDMID00067729
Name[4-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid
Frequency44.8
Structure
Chemical FormulaC15H12O9S
Molecular Mass368.0202
SMILESO=C1c2c(O)cc(O)cc2OC(c2ccc(OS(=O)(=O)O)cc2)C1O
InChI KeyGQBRGNSIIBUYHK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavans
Direct Parent flavanonols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • chromones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • phenylsulfates
  • secondary alcohols
  • sulfuric acid monoesters
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • sulfuric acid monoester
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • ketone
  • phenylsulfate
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • arylsulfate
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • organic sulfuric acid or derivatives
  • 5-hydroxyflavonoid
  • flavanonol
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound
  • aryl ketone