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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:16 UTC
Update Date2025-03-25 01:01:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250021
Frequency0.5
Structure
Chemical FormulaC16H12O5S
Molecular Mass316.0405
SMILESCSc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1
InChI KeyJERPNVJZKCKAOL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavones
Direct Parent flavonols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • alkylarylthioethers
  • benzene and substituted derivatives
  • chromones
  • flavonoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • sulfenyl compounds
  • thiophenol ethers
  • thiophenols
  • vinylogous acids
    • Substituents
  • 3-hydroxyflavone
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkylarylthioether
  • organosulfur compound
  • aryl thioether
  • organic oxide
  • thiophenol
  • chromone
  • aromatic heteropolycyclic compound
  • thiophenol ether
  • pyranone
  • organoheterocyclic compound
  • benzopyran
  • sulfenyl compound
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • thioether
  • pyran
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound