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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:24 UTC
Update Date2025-03-25 00:46:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154431
Frequency0.5
Structure
Chemical FormulaC18H18O7
Molecular Mass346.1053
SMILESCOc1cc(CC(C(=O)O)C(=O)Cc2ccc(O)c(O)c2)ccc1O
InChI KeyIVDSXDGIYGIAMC-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
  • 1,3-dicarbonyl compounds
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • beta-hydroxy ketones
  • beta-keto acids and derivatives
  • carboxylic acids
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • phenylpropanoic acids
    • Substituents
  • beta-hydroxy ketone
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • norlignan skeleton
  • alkyl aryl ether
  • carboxylic acid derivative
  • beta-keto acid
  • ketone
  • organic oxide
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • keto acid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • 1,3-dicarbonyl compound
  • phenoxy compound
  • organooxygen compound