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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:02 UTC
Update Date2025-03-25 00:46:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153569
Frequency0.5
Structure
Chemical FormulaC18H18O6
Molecular Mass330.1103
SMILESCOc1ccc(C2Oc3ccccc3OC2OC(C)=O)cc1OC
InChI KeyJBKDGVIGABFUMF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass phenylbenzodioxanes
Direct Parent phenylbenzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • anisoles
  • benzo-1,4-dioxanes
  • carbonyl compounds
  • carboxylic acid esters
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • para dioxins
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • alkyl aryl ether
  • carboxylic acid derivative
  • dimethoxybenzene
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • o-dimethoxybenzene
  • 2-phenylbenzo-1,4-dioxane
  • benzo-1,4-dioxane
  • methoxybenzene
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • para-dioxin
  • anisole
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound