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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:30 UTC
Update Date2025-03-25 00:46:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156903
Frequency0.5
Structure
Chemical FormulaC15H18O2
Molecular Mass230.1307
SMILESC=CC(C)(C)COC(=O)C=Cc1ccccc1
InChI KeyBIECPSHJQNIQDG-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
  • benzene and substituted derivatives
  • carbonyl compounds
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • enoate ester
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • alpha,beta-unsaturated carboxylic ester
  • fatty acid ester
  • cinnamic acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound