Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:37 UTC
Update Date2025-03-25 00:51:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186761
Frequency0.5
Structure
Chemical FormulaC15H13NO
Molecular Mass223.0997
SMILESNc1cccc(C(=O)C=Cc2ccccc2)c1
InChI KeyDZBHXROADCJCEL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classlinear 1,3-diarylpropanoids
Subclass linear 1,3-diarylpropanoids
Direct Parent linear 1,3-diarylpropanoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha,beta-unsaturated ketones
  • aryl ketones
  • benzoyl derivatives
  • cinnamic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • Substituents
  • linear 1,3-diarylpropanoid
  • monocyclic benzene moiety
  • benzoyl
  • alpha,beta-unsaturated ketone
  • ketone
  • aromatic homomonocyclic compound
  • cinnamic acid or derivatives
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound
  • aryl ketone