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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:56 UTC
Update Date2025-03-25 00:46:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153341
Frequency0.5
Structure
Chemical FormulaC16H17NO3
Molecular Mass271.1208
SMILESCOc1ccc(NCC2COc3ccccc3O2)cc1
InChI KeyQLULTKYLXMCOLN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass benzo-1,4-dioxanes
Direct Parent benzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • organopnictogen compounds
  • oxacyclic compounds
  • para dioxins
  • phenoxy compounds
  • phenylalkylamines
  • secondary alkylarylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • benzo-1,4-dioxane
  • secondary amine
  • methoxybenzene
  • secondary aliphatic/aromatic amine
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • anisole
  • phenylalkylamine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound