Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:41:13 UTC
Update Date2025-03-21 17:58:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00018044
Frequency231.0
Structure
Chemical FormulaC11H17NO
Molecular Mass179.131
SMILESCC(C)NCC(O)c1ccccc1
InChI KeyYANYGOBZUASRHR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • secondary amine
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine