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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:33 UTC
Update Date2025-03-21 18:34:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00101858
Frequency26.8
Structure
Chemical FormulaC8H8O3
Molecular Mass152.0473
SMILESOc1cc2c(cc1O)COC2
InChI KeyDDSAPKDGZIVAEH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisocoumarans
Subclass isocoumarans
Direct Parent isocoumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzenoids
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
    • Substituents
  • oxacycle
  • ether
  • isocoumaran
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • hydrocarbon derivative
  • benzenoid
  • dialkyl ether
  • organooxygen compound