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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:56:57 UTC
Update Date2025-03-24 21:51:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01912261
Frequency0.6
Structure
Chemical FormulaC9H7NO
Molecular Mass145.0528
SMILESN#Cc1cccc2c1CCO2
InChI KeySUSGVLPXARATPO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classcoumarans
Subclass coumarans
Direct Parent coumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • benzenoids
  • hydrocarbon derivatives
  • nitriles
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • ether
  • nitrile
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • carbonitrile
  • coumaran
  • organooxygen compound