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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:31 UTC
Update Date2025-03-25 00:46:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154711
Frequency0.5
Structure
Chemical FormulaC22H16O8S
Molecular Mass440.0566
SMILESCOc1ccc(-c2c(-c3ccc(O)cc3)oc3c(OS(=O)(=O)O)cccc3c2=O)cc1
InChI KeyGYRKAIROUKWBSS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 4'-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • arylsulfates
  • chromones
  • flavonoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isoflavones
  • isoflavonoids
  • methoxybenzenes
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • pyranones and derivatives
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • isoflavonoid
  • pyranone
  • arylsulfate
  • organoheterocyclic compound
  • isoflavone
  • benzopyran
  • organic sulfuric acid or derivatives
  • heteroaromatic compound
  • isoflavonoid skeleton
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • pyran
  • anisole
  • 4'-hydroxyflavonoid
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound