Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:28 UTC
Update Date2025-03-21 18:35:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106579
Frequency25.3
Structure
Chemical FormulaC11H17NO
Molecular Mass179.131
SMILESCNCC(O)CCc1ccccc1
InChI KeySYGQZVATXQJOLC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • secondary aliphatic amine
  • secondary amine
  • aromatic homomonocyclic compound
  • phenylbutylamine
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine