Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:02 UTC
Update Date2025-03-21 18:35:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00108014
Frequency24.8
Structure
Chemical FormulaC9H14N2O
Molecular Mass166.1106
SMILESCC(N)C(O)c1ccccc1N
InChI KeyKGEWKMINTXRULF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • hydrocarbon derivatives
  • monoalkylamines
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound