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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:28 UTC
Update Date2025-03-25 00:54:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204633
Frequency0.5
Structure
Chemical FormulaC15H11ClO7
Molecular Mass338.0193
SMILESO=C1c2c(O)cc(O)cc2OC(c2cc(O)c(O)c(Cl)c2)C1O
InChI KeyRMSBBIXGUYHXCV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavans
Direct Parent flavanonols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 3-chlorocatechols
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • aryl chlorides
  • chlorobenzenes
  • chromones
  • halophenols
  • hydrocarbon derivatives
  • m-chlorophenols
  • o-chlorophenols
  • organic oxides
  • organochlorides
  • oxacyclic compounds
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • chlorocatechol
  • alkyl aryl ether
  • organohalogen compound
  • 3-chlorocatechol
  • ketone
  • catechol
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • alcohol
  • 3-halophenol
  • 3-chlorophenol
  • benzopyran
  • 5-hydroxyflavonoid
  • flavanonol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • aryl halide
  • 2-halophenol
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • organooxygen compound
  • aryl ketone