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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:38:40 UTC
Update Date2025-03-21 17:58:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00012395
Frequency366.9
Structure
Chemical FormulaC21H20O8
Molecular Mass400.1158
SMILESCOc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(O)c1OC
InChI KeyKKHOARWEVJJBTK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classlignan lactones
Subclass podophyllotoxins
Direct Parent podophyllotoxins
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
  • dimethoxybenzenes
  • furanonaphthodioxoles
  • gamma butyrolactones
  • hydrocarbon derivatives
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • secondary alcohols
  • tetrahydrofurans
  • tetralins
    • Substituents
  • linear furanonaphthodioxole
  • tetralin
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • podophyllotoxin
  • methoxyphenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-aryltetralin lignan
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • dimethoxybenzene
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • o-dimethoxybenzene
  • organoheterocyclic compound
  • benzodioxole
  • 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