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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:04 UTC
Update Date2025-03-25 00:50:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183210
Frequency0.5
Structure
Chemical FormulaC16H16O6
Molecular Mass304.0947
SMILESO=C(c1c(O)cc(O)cc1O)C(O)CCc1cccc(O)c1
InChI KeyNKTWRJHVCJKWGU-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
  • acyloins
  • acylphloroglucinols and derivatives
  • alkyl-phenylketones
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • norlignan skeleton
  • ketone
  • phloroglucinol derivative
  • saccharide
  • organic oxide
  • acylphloroglucinol derivative
  • alcohol
  • benzenetriol
  • 1-hydroxy-4-unsubstituted benzenoid
  • phenylketone
  • butyrophenone
  • aromatic homomonocyclic compound
  • vinylogous acid
  • organic oxygen compound
  • acyloin
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone