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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:48 UTC
Update Date2025-03-25 00:51:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02187186
Frequency0.5
Structure
Chemical FormulaC18H18O6
Molecular Mass330.1103
SMILESCC(C(=O)c1ccc(O)cc1O)c1ccc(O)c(CCC(=O)O)c1
InChI KeyIIRKEEQKZZXEKW-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl-phenylketones
  • alpha-methyldeoxybenzoin flavonoids
  • aryl alkyl ketones
  • benzoyl derivatives
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenylpropanes
  • phenylpropanoic acids
  • resorcinols
  • stilbenes
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aryl alkyl ketone
  • 3-phenylpropanoic-acid
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • neolignan skeleton
  • resorcinol
  • ketone
  • phenylpropane
  • organic oxide
  • 1-hydroxy-4-unsubstituted benzenoid
  • phenylketone
  • alpha-methyldeoxybenzoin flavonoid
  • aromatic homomonocyclic compound
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone
  • stilbene