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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:03 UTC
Update Date2025-03-25 00:53:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201408
Frequency0.5
Structure
Chemical FormulaC21H22O8
Molecular Mass402.1315
SMILESCOc1cc2c(cc1O)C(c1cc(O)c(OC)c(OC)c1)C1C(=O)OCC1C2O
InChI KeyQZMQSWPNGHDCKP-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
  • alkyl aryl ethers
  • anisoles
  • aryltetralin lignans
  • carbonyl compounds
  • carboxylic acid esters
  • dimethoxybenzenes
  • gamma butyrolactones
  • hydrocarbon derivatives
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • naphthofurans
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • secondary alcohols
  • tetrahydrofurans
  • tetralins
    • Substituents
  • tetralin
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • methoxyphenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-aryltetralin lignan
  • alkyl aryl ether
  • carboxylic acid derivative
  • lignan lactone
  • lactone
  • dimethoxybenzene
  • organic oxide
  • aromatic heteropolycyclic compound
  • o-dimethoxybenzene
  • organoheterocyclic compound
  • alcohol
  • naphthofuran
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound