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Showing information for DMID00102836

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:56 UTC
Update Date2025-03-21 18:34:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00102836
Frequency26.4
Structure
Chemical FormulaC11H11NO
Molecular Mass173.0841
SMILESCC1(C)COc2ccc(C#N)cc21
InChI KeyCKSJFALMIVSIEH-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