Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:49 UTC
Update Date2025-03-25 00:52:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193938
Frequency0.5
Structure
Chemical FormulaC10H15NO
Molecular Mass165.1154
SMILESCCc1ccc(NCCO)cc1
InChI KeyOWRNRKFMWWUCND-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent phenylalkylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkanolamines
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alkylarylamines
  • Substituents
  • alcohol
  • monocyclic benzene moiety
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organopnictogen compound
  • phenylalkylamine
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • alkanolamine