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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:23 UTC
Update Date2025-03-25 00:47:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158859
Frequency0.5
Structure
Chemical FormulaC15H12O5
Molecular Mass272.0685
SMILESOc1ccc(C2c3cc4c(cc3OC2O)OCO4)cc1
InChI KeyKFXUCBSZJBBZFI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classcoumarans
Subclass 1-phenylcoumarans
Direct Parent 1-phenylcoumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • benzodioxoles
  • hemiacetals
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
    • Substituents
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • phenol
  • hemiacetal
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • benzodioxole
  • 1-phenylcoumaran