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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:20 UTC
Update Date2025-03-25 00:59:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02238603
Frequency0.5
Structure
Chemical FormulaC27H20O9
Molecular Mass488.1107
SMILESO=C(O)C1OC(Oc2ccc3c(c2)oc(=O)c2c4ccccc4c4ccccc4c32)C(O)C(O)C1O
InChI KeyDCQYTSHMKAOVFX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classlignan glycosides
Subclass lignan glycosides
Direct Parent lignan glycosides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 2-benzopyrans
  • acetals
  • arylnaphthalene lignans
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • coumarins and derivatives
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isocoumarins and derivatives
  • lactones
  • lignan lactones
  • monocarboxylic acids and derivatives
  • monosaccharides
  • naphthalenes
  • naphthopyrans
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenanthrenes and derivatives
  • phenol ethers
  • pyran carboxylic acids
  • pyranones and derivatives
  • secondary alcohols
    • Substituents
  • phenol ether
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • 1-benzopyran
  • lignan glycoside
  • o-glucuronide
  • arylnaphthalene lignan skeleton
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • lignan lactone
  • lactone
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • pyranone
  • oxane
  • organoheterocyclic compound
  • alcohol
  • phenanthrene
  • benzopyran
  • pyran carboxylic acid or derivatives
  • heteroaromatic compound
  • hydroxy acid
  • isocoumarin
  • coumarin
  • oxacycle
  • naphthopyran
  • monocarboxylic acid or derivatives
  • naphthalene
  • organic oxygen compound
  • pyran
  • 2-benzopyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound