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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:46 UTC
Update Date2025-03-25 00:58:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02228279
Frequency0.5
Structure
Chemical FormulaC18H16O6
Molecular Mass328.0947
SMILESC=CC1(O)COC(c2ccc(O)c(O)c2)c2cc3c(cc21)OCO3
InChI KeyIOPWXDFTWBAOHI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 2-benzopyrans
Direct Parent 2-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • benzodioxoles
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tertiary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • dialkyl ether
  • oxacycle
  • tertiary alcohol
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • 2-benzopyran
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • benzodioxole