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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:11 UTC
Update Date2025-03-25 00:57:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222623
Frequency0.5
Structure
Chemical FormulaC15H13ClO6S
Molecular Mass356.0121
SMILESO=S(O)c1cc(O)c2c(c1)OC(c1ccc(Cl)cc1O)C(O)C2
InChI KeyZELNSKOXYHYSAE-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
  • aryl chlorides
  • chlorobenzenes
  • flavan-3-ols
  • halophenols
  • hydrocarbon derivatives
  • m-chlorophenols
  • organic oxides
  • organochlorides
  • organosulfur compounds
  • oxacyclic compounds
  • secondary alcohols
  • sulfinic acids
    • Substituents
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • flavan
  • organochloride
  • sulfinic acid derivative
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organosulfur compound
  • organohalogen compound
  • sulfinic acid
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • flavan-3-ol
  • organoheterocyclic compound
  • aryl chloride
  • chlorobenzene
  • alcohol
  • 3-halophenol
  • 3-chlorophenol
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • organooxygen compound