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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:46 UTC
Update Date2025-03-25 00:50:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182568
Frequency0.5
Structure
Chemical FormulaC13H8O6
Molecular Mass260.0321
SMILESO=c1oc2c(O)c(O)ccc2c2c1C1C=COC1O2
InChI KeyCHNVIEYVYJBBLB-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • 7,8-dihydroxycoumarins
  • acetals
  • benzenoids
  • dihydrofurans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • vinylogous esters
    • Substituents
  • benzopyran
  • 1-benzopyran
  • vinylogous ester
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 7,8-dihydroxycoumarin
  • angular furanocoumarin
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • pyran
  • pyranone
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound
  • dihydrofuran