Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:04 UTC
Update Date2025-03-25 00:52:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02192257
Frequency0.5
Structure
Chemical FormulaC15H21NO
Molecular Mass231.1623
SMILESCCCCCCC(=O)C(N)=Cc1ccccc1
InChI KeyLBPKIJKZHXOZSE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass cinnamic acids and derivatives
Direct Parent cinnamic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acryloyl compounds
  • alpha-branched alpha,beta-unsaturated ketones
  • benzene and substituted derivatives
  • enones
  • hydrocarbon derivatives
  • ketones
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • monocyclic benzene moiety
  • carbonyl group
  • alpha,beta-unsaturated ketone
  • ketone
  • aromatic homomonocyclic compound
  • cinnamic acid or derivatives
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • acryloyl-group
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • enone