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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:48 UTC
Update Date2025-03-25 01:01:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251242
Frequency0.5
Structure
Chemical FormulaC12H6O6
Molecular Mass246.0164
SMILESO=c1ccc2c(=O)oc3ccc(O)c(O)c3c2o1
InChI KeyITRQMZRITPWJBT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass coumarino-alpha-pyrones
Direct Parent coumarino-alpha-pyrones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
    • Substituents
  • benzopyran
  • coumarino-alpha-pyrone
  • 1-benzopyran
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • pyranone
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound