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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:10 UTC
Update Date2025-03-25 00:57:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222553
Frequency0.5
Structure
Chemical FormulaC18H16O4
Molecular Mass296.1049
SMILESO=C1OCC2Cc3cc(O)ccc3C(c3ccc(O)cc3)C12
InChI KeySSDLTRRATDMYIX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classlignan lactones
Subclass lignan lactones
Direct Parent lignan lactones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryltetralin lignans
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • naphthofurans
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
  • tetralins
    • Substituents
  • tetralin
  • monocyclic benzene moiety
  • carbonyl group
  • naphthofuran
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-aryltetralin lignan
  • carboxylic acid derivative
  • gamma butyrolactone
  • lignan lactone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound