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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:00 UTC
Update Date2025-03-25 00:46:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158016
Frequency0.5
Structure
Chemical FormulaC16H14O7S
Molecular Mass350.046
SMILESO=C(O)c1cccc(C2Oc3cc(S(=O)O)cc(O)c3CC2O)c1
InChI KeyQIIQUOTUONLUDA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 3-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 5-hydroxyflavonoids
  • alkyl aryl ethers
  • benzoic acids
  • benzoyl derivatives
  • carboxylic acids
  • flavan-3-ols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organosulfur compounds
  • oxacyclic compounds
  • secondary alcohols
  • sulfinic acids
    • Substituents
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • carboxylic acid
  • 1-benzopyran
  • flavan
  • sulfinic acid derivative
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organosulfur compound
  • carboxylic acid derivative
  • sulfinic acid
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • benzoic acid
  • flavan-3-ol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • 5-hydroxyflavonoid
  • benzoic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound