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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:01 UTC
Update Date2025-03-25 00:53:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201316
Frequency0.5
Structure
Chemical FormulaC14H19NO4
Molecular Mass265.1314
SMILESCOc1ccc(C(CN=O)C2(O)CCC(O)C2)cc1
InChI KeyYBIWZCLLLFHWBF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • c-nitroso compounds
  • cyclic alcohols and derivatives
  • cyclopentanols
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
  • tertiary alcohols
    • Substituents
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • organic nitroso compound
  • organic 1,3-dipolar compound
  • cyclic alcohol
  • methoxybenzene
  • cyclopentanol
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • c-nitroso compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound