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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:11:01 UTC
Update Date2025-03-24 14:13:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00796628
Frequency1.9
Structure
Chemical FormulaC7H10NO2+
Molecular Mass140.0706
SMILESNCC(O)c1ccc[o+]c1
InChI KeyQPBCGOCSUGTKMI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • hydrocarbon derivatives
  • monoalkylamines
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic cation
  • organooxygen compound