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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:03 UTC
Update Date2025-03-21 18:35:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00108026
Frequency24.8
Structure
Chemical FormulaC11H17NO3
Molecular Mass211.1208
SMILESCNCC(O)c1ccc(OC)cc1OC
InChI KeyQVMUREVYIXZSMX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass methoxybenzenes
Direct Parent dimethoxybenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • aromatic alcohols
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • phenol ether
  • secondary aliphatic amine
  • ether
  • alkyl aryl ether
  • secondary amine
  • aromatic homomonocyclic compound
  • dimethoxybenzene
  • organic oxygen compound
  • m-dimethoxybenzene
  • anisole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine