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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:47 UTC
Update Date2025-03-21 18:40:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00128924
Frequency19.8
Structure
Chemical FormulaC14H6O8
Molecular Mass302.0063
SMILESO=c1oc2c3c4c(cc(O)c(O)c4oc2=O)c(O)c(O)cc1-3
InChI KeyKYCFULYEUIPQBI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass furanocoumarins
Direct Parent angular furanocoumarins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzenoids
  • cycloheptapyrans
  • furans
  • furopyrans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
    • Substituents
  • furan
  • benzopyran
  • 1-benzopyran
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • furopyran
  • cycloheptapyran
  • angular furanocoumarin
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • pyranone
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound