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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:12 UTC
Update Date2025-03-25 00:46:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153983
Frequency0.5
Structure
Chemical FormulaC10H15NO3
Molecular Mass197.1052
SMILESCOc1cccc(C(CN)C(O)O)c1
InChI KeyXFLDNYRVFSMSCD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • carbonyl hydrates
  • hydrocarbon derivatives
  • methoxybenzenes
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • carbonyl hydrate
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound