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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:06:46 UTC
Update Date2025-03-21 18:29:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00078437
Frequency37.3
Structure
Chemical FormulaC15H9ClO5
Molecular Mass304.0139
SMILESO=c1c(O)c(-c2ccc(Cl)cc2)oc2cc(O)cc(O)c12
InChI KeyGPIBGMPIFOVDEI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavones
Direct Parent flavonols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • aryl chlorides
  • chlorobenzenes
  • chromones
  • flavonoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • vinylogous acids
    • Substituents
  • 3-hydroxyflavone
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • 1-benzopyran
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • aryl chloride
  • chlorobenzene
  • benzopyran
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • pyran
  • 7-hydroxyflavonoid
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • organooxygen compound