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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:50 UTC
Update Date2025-03-25 00:48:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171207
Frequency0.5
Structure
Chemical FormulaC26H26O9
Molecular Mass482.1577
SMILESCOc1cc(C2c3cc4c(cc3C3C=COC3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC
InChI KeyQIMQPLICIDXWHS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acid esters
  • dihydrofurans
  • gamma butyrolactones
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • benzodioxole
  • dihydrofuran
  • alcohol
  • tetrahydrofuran
  • methoxybenzene
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound