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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:09:33 UTC
Update Date2025-03-24 20:11:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01370276
Frequency1.0
Structure
Chemical FormulaC7H9NO2
Molecular Mass139.0633
SMILESOCCN=Cc1ccco1
InChI KeyUBIWQKPPTYOJSH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurans
Subclass furans
Direct Parent furans
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • aldimines
  • alkanolamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • alcohol
  • furan
  • aromatic heteromonocyclic compound
  • imine
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • oxacycle
  • aldimine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • alkanolamine