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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:34 UTC
Update Date2025-03-21 18:33:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00097002
Frequency28.5
Structure
Chemical FormulaC16H14O10S
Molecular Mass398.0308
SMILESO=C1CC(c2ccc(O)c(OCOS(=O)(=O)O)c2)Oc2cc(O)cc(O)c21
InChI KeyBVGWVMTZWULJCR-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
  • alkyl sulfates
  • aryl alkyl ketones
  • chromones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • phenol ethers
  • phenoxy compounds
  • sulfuric acid monoesters
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • flavanone
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • ketone
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • chromane
  • organoheterocyclic compound
  • benzopyran
  • organic sulfuric acid or derivatives
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound
  • aryl ketone