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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:31 UTC
Update Date2025-03-25 00:46:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154740
Frequency0.5
Structure
Chemical FormulaC16H12O7
Molecular Mass316.0583
SMILESCOc1cc2c(c3oc(=O)c4c(c13)OCO4)C1C(O)C=CC1O2
InChI KeyDQNTUXGVKAIEHL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass furanocoumarins
Direct Parent angular furanocoumarins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • acetals
  • alkyl aryl ethers
  • anisoles
  • coumarans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • oxacyclic compounds
  • pyranones and derivatives
  • secondary alcohols
  • vinylogous esters
    • Substituents
  • phenol ether
  • ether
  • 1-benzopyran
  • alkyl aryl ether
  • lactone
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • coumaran
  • alcohol
  • benzopyran
  • vinylogous ester
  • heteroaromatic compound
  • angular furanocoumarin
  • oxacycle
  • organic oxygen compound
  • pyran
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound