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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:13 UTC
Update Date2025-03-25 00:56:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218018
Frequency0.5
Structure
Chemical FormulaC9H7NO2
Molecular Mass161.0477
SMILESN#Cc1cc2c(cc1O)COC2
InChI KeyKEXVMGUZSLIOBW-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
  • nitriles
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • ether
  • nitrile
  • 1-hydroxy-2-unsubstituted benzenoid
  • dialkyl ether
  • oxacycle
  • isocoumaran
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • carbonitrile
  • organooxygen compound