Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:39:37 UTC
Update Date2025-03-21 17:58:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00014555
Frequency302.4
Structure
Chemical FormulaC12H19NO
Molecular Mass193.1467
SMILESCN(C)CCCC(O)c1ccccc1
InChI KeyWYSDSYMRLZQOSI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
  • trialkylamines
  • Substituents
  • aromatic alcohol
  • alcohol
  • tertiary aliphatic amine
  • aromatic homomonocyclic compound
  • phenylbutylamine
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound