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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:01 UTC
Update Date2025-03-25 00:46:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153516
Frequency0.5
Structure
Chemical FormulaC19H18O6
Molecular Mass342.1103
SMILESCOc1ccc(C=CC(=O)OCC(=O)c2ccc(O)cc2)cc1OC
InChI KeyRYDRIMSHTWHHIK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • alpha-acyloxy ketones
  • anisoles
  • aryl alkyl ketones
  • benzoyl derivatives
  • cinnamic acids and derivatives
  • dimethoxybenzenes
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
    • Substituents
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • alpha-acyloxy ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • dimethoxybenzene
  • alpha,beta-unsaturated carboxylic ester
  • cinnamic acid or derivatives
  • organic oxide
  • o-dimethoxybenzene
  • enoate ester
  • methoxybenzene
  • aromatic homomonocyclic compound
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • anisole
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • alkyl-phenylketone