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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:37 UTC
Update Date2025-03-25 00:49:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177653
Frequency0.5
Structure
Chemical FormulaC9H14NO2+
Molecular Mass168.1019
SMILESCNC(C)C(O)c1cc[o+]cc1
InChI KeyRHMOILAEAUNHCQ-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
  • dialkylamines
  • hydrocarbon derivatives
  • organic cations
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • secondary aliphatic amine
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • secondary amine
  • oxacycle
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organooxygen compound
  • amine