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Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:44:20 UTC
Update Date2025-03-21 18:00:05 UTC
HMDB IDHMDB0127895
Metabolite Identification
DeepMet IDDMID00025085
Name3-(3,5-dihydroxy-7-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate
Frequency154.2
Structure
Chemical FormulaC15H14O6S
Molecular Mass322.0511
SMILESO=S(O)c1cc(O)c2c(c1)OC(c1cccc(O)c1)C(O)C2
InChI KeyWMDWHJQUKFIOLH-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
  • 3'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • flavan-3-ols
  • hydrocarbon derivatives
  • organic oxides
  • organosulfur compounds
  • oxacyclic compounds
  • secondary alcohols
  • sulfinic acids
    • Substituents
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • flavan
  • sulfinic acid derivative
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organosulfur compound
  • sulfinic acid
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • flavan-3-ol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound