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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:41 UTC
Update Date2025-03-25 00:53:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200570
Frequency0.5
Structure
Chemical FormulaC20H18O6
Molecular Mass354.1103
SMILESCOc1ccc(C2c3c(ccc4c3OCO4)CC3COC(=O)C32)cc1O
InChI KeyJTKITWADYHPELM-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • anisoles
  • aryltetralin lignans
  • benzodioxoles
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • naphthofurans
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • tetrahydrofurans
  • tetralins
    • Substituents
  • tetralin
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • 1-aryltetralin lignan
  • alkyl aryl ether
  • carboxylic acid derivative
  • lignan lactone
  • lactone
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organoheterocyclic compound
  • benzodioxole
  • naphthofuran
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound