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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:54 UTC
Update Date2025-03-25 00:56:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221939
Frequency0.5
Structure
Chemical FormulaC12H10O7
Molecular Mass266.0427
SMILESO=c1oc2cc(O)ccc2c2c1C(O)C(O)C(O)O2
InChI KeyQPXJXLNFXQGXDJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass pyranocoumarins
Direct Parent angular pyranocoumarins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzenoids
  • hemiacetals
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • oxacyclic compounds
  • pyranones and derivatives
  • secondary alcohols
  • vinylogous esters
    • Substituents
  • alcohol
  • benzopyran
  • 1-benzopyran
  • vinylogous ester
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • angular pyranocoumarin
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • pyranone
  • secondary alcohol
  • hemiacetal
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound
  • 1,2-diol