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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:20 UTC
Update Date2025-03-25 00:46:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156559
Frequency0.5
Structure
Chemical FormulaC16H12O7S
Molecular Mass348.0304
SMILESO=C1CC(c2ccc3c(c2)OCO3)Oc2cc(O)cc(S(=O)O)c21
InChI KeyCNYRAGURQPZUMQ-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
  • 7-hydroxyflavonoids
  • acetals
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzenoids
  • benzodioxoles
  • chromones
  • hydrocarbon derivatives
  • organic oxides
  • organosulfur compounds
  • oxacyclic compounds
  • sulfinic acids
    • Substituents
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • flavanone
  • sulfinic acid derivative
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organosulfur compound
  • sulfinic acid
  • ketone
  • organic oxide
  • acetal
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • benzodioxole
  • benzopyran
  • oxacycle
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone