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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:59 UTC
Update Date2025-03-25 00:59:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02240054
Frequency0.5
Structure
Chemical FormulaC12H8O6
Molecular Mass248.0321
SMILESO=C1CCOc2c1c(=O)oc1cc(O)cc(O)c21
InChI KeyUNBXNEYTVPTXSJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass coumarino-gamma-pyrones
Direct Parent coumarino-gamma-pyrones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • angular pyranocoumarins
  • aryl alkyl ketones
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • oxacyclic compounds
  • pyranones and derivatives
  • vinylogous esters
    • Substituents
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • coumarino-gamma-pyrone
  • angular pyranocoumarin
  • ketone
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • pyranocoumarin
  • benzopyran
  • vinylogous ester
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • pyran
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone