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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:58 UTC
Update Date2025-03-25 00:58:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230922
Frequency0.5
Structure
Chemical FormulaC27H43NO5
Molecular Mass461.3141
SMILESCCCCCCCCCCCCCCCC(=O)NCCOC(=O)C=Cc1ccc(O)c(O)c1
InChI KeyIXGQMTPGWBNKOW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass hydroxycinnamic acids and derivatives
Direct Parent hydroxycinnamic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • fatty amide
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • enoate ester
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • n-acyl-amine
  • hydroxycinnamic acid
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound