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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:50 UTC
Update Date2025-03-25 00:56:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219473
Frequency0.5
Structure
Chemical FormulaC19H21ClO6
Molecular Mass380.1027
SMILESCOc1cc(CC(C(=O)O)C(CO)Cc2ccc(O)c(Cl)c2)ccc1O
InChI KeyGSTSUZIRGXOJPG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classdibenzylbutane lignans
Subclass dibenzylbutane lignans
Direct Parent dibenzylbutane lignans
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • aryl chlorides
  • carbonyl compounds
  • carboxylic acids
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • o-chlorophenols
  • organic oxides
  • organochlorides
  • phenoxy compounds
  • phenylpropanoic acids
  • primary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • organohalogen compound
  • dibenzylbutane lignan skeleton
  • organic oxide
  • primary alcohol
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • alcohol
  • methoxybenzene
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • phenoxy compound
  • organooxygen compound