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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:58 UTC
Update Date2025-03-25 00:46:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155746
Frequency0.5
Structure
Chemical FormulaC16H14O5S
Molecular Mass318.0562
SMILESCSc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)ccc1O
InChI KeyQBTDYIIGLVQHDP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavans
Direct Parent flavanones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • alkylarylthioethers
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • chromones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • sulfenyl compounds
  • thiophenol ethers
  • thiophenols
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • flavanone
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • alkylarylthioether
  • organosulfur compound
  • aryl thioether
  • ketone
  • organic oxide
  • thiophenol
  • chromone
  • aromatic heteropolycyclic compound
  • thiophenol ether
  • chromane
  • organoheterocyclic compound
  • benzopyran
  • sulfenyl compound
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • thioether
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone