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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:34 UTC
Update Date2025-03-25 00:47:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163732
Frequency0.5
Structure
Chemical FormulaC11H13O5P
Molecular Mass256.0501
SMILESCC1(C)C=Cc2ccc(OP(=O)(O)O)cc2O1
InChI KeyRBWPWEVTZDZJEZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 2,2-dimethyl-1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aryl phosphomonoesters
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • ether
  • 2,2-dimethyl-1-benzopyran
  • alkyl aryl ether
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • phosphoric acid ester
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • aryl phosphomonoester
  • benzenoid
  • aryl phosphate
  • organic phosphoric acid derivative
  • organooxygen compound