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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:37 UTC
Update Date2025-03-25 00:59:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236983
Frequency0.5
Structure
Chemical FormulaC16H16O5
Molecular Mass288.0998
SMILESO=C(c1ccc(O)cc1O)C(O)CCc1ccc(O)cc1
InChI KeyDIICCNACDNSZED-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
  • alkyl-phenylketones
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • resorcinols
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • norlignan skeleton
  • resorcinol
  • ketone
  • saccharide
  • organic oxide
  • alcohol
  • 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