Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:48 UTC
Update Date2025-03-21 18:07:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00068864
Frequency43.9
Structure
Chemical FormulaC10H15NO
Molecular Mass165.1154
SMILESCNCC(O)c1ccccc1C
InChI KeyGKIYOVSQVWWNIY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass toluenes
Direct Parent toluenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • secondary aliphatic amine
  • secondary amine
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • toluene
  • organooxygen compound
  • amine