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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:39 UTC
Update Date2025-03-25 01:01:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250881
Frequency0.5
Structure
Chemical FormulaC18H18O6
Molecular Mass330.1103
SMILESO=C(O)CCc1ccc(OC(Cc2ccc(O)cc2)C(=O)O)cc1
InChI KeyOGMACDGNDNOENB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
ClassNot Available
Subclass lignans, neolignans and related compounds
Direct Parent lignans, neolignans and related compounds
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • phenol ethers
  • phenoxy compounds
  • phenoxyacetic acid derivatives
  • phenylpropanoic acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • phenoxyacetate
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • neolignan skeleton
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • oxyneolignan skeleton
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound