Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:14 UTC
Update Date2025-03-21 18:41:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00134601
Frequency18.7
Structure
Chemical FormulaC10H13NO
Molecular Mass163.0997
SMILESCNC(C(C)=O)c1ccccc1
InChI KeyLNLNWQQWSFMHBW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • secondary aliphatic amine
  • carbonyl group
  • secondary amine
  • ketone
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine