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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:28 UTC
Update Date2025-03-25 00:50:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181873
Frequency0.5
Structure
Chemical FormulaC17H18O3
Molecular Mass270.1256
SMILESO=C(O)C(CCc1ccccc1)Cc1cccc(O)c1
InChI KeyGDZPUPFKXMNOOG-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
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenylpropanoic acids
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • norlignan skeleton
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound