Hmdb loader

Showing information for DMID00117451

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:55 UTC
Update Date2025-03-21 18:37:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00117451
Frequency22.3
Structure
Chemical FormulaC12H12O4
Molecular Mass220.0736
SMILESC=COC(=O)C=Cc1ccc(O)c(OC)c1
InChI KeyNXTSIKLGYGRCLU-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
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • enoate esters
  • enol esters
  • fatty acid esters
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
    • Substituents
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • enol ester
  • enoate ester
  • methoxybenzene
  • hydroxycinnamic acid
  • aromatic homomonocyclic compound
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound