Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:13 UTC
Update Date2025-03-25 00:48:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169789
Frequency0.5
Structure
Chemical FormulaC15H18O6
Molecular Mass294.1103
SMILESCCOC(=O)C(O)COC(=O)C=Cc1ccc(OC)cc1
InChI KeyTYTFAUVIEQCZOY-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
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • dicarboxylic acids and derivatives
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • methoxybenzenes
  • monosaccharides
  • organic oxides
  • phenoxy compounds
  • secondary alcohols
  • sugar acids and derivatives
  • Substituents
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • cinnamic acid or derivatives
  • saccharide
  • organic oxide
  • glyceric_acid
  • enoate ester
  • alcohol
  • methoxybenzene
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound