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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:02:58 UTC
Update Date2025-03-21 23:06:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00634251
Frequency2.5
Structure
Chemical FormulaC8H9NO
Molecular Mass135.0684
SMILESNc1ccc2c(c1)CCO2
InChI KeyYJMADHMYUJFMQE-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
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
    • Substituents
  • ether
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • coumaran
  • organooxygen compound