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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:36 UTC
Update Date2025-03-21 18:34:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00101994
Frequency26.7
Structure
Chemical FormulaC9H7NO2
Molecular Mass161.0477
SMILESN#Cc1ccc2c(c1)OCCO2
InChI KeyJGSRMKGBXNXODT-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
  • benzenoids
  • hydrocarbon derivatives
  • nitriles
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • para dioxins
    • Substituents
  • benzo-1,4-dioxane
  • ether
  • nitrile
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • carbonitrile
  • organooxygen compound