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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:44 UTC
Update Date2025-03-25 00:58:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230397
Frequency0.5
Structure
Chemical FormulaC11H11O6P
Molecular Mass270.0293
SMILESCCOP(=O)(O)Oc1ccc2ccc(=O)oc2c1
InChI KeyIJPJZJYMXGLEIU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass coumarins and derivatives
Direct Parent coumarins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • monoalkyl phosphates
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • Substituents
  • benzopyran
  • 1-benzopyran
  • heteroaromatic compound
  • coumarin
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • phosphoric acid ester
  • aromatic heteropolycyclic compound
  • pyran
  • monoalkyl phosphate
  • pyranone
  • hydrocarbon derivative
  • benzenoid
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organoheterocyclic compound
  • organooxygen compound