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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:19 UTC
Update Date2025-03-25 00:50:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183766
Frequency0.5
Structure
Chemical FormulaC13H14O4
Molecular Mass234.0892
SMILESO=C1CCC(CC2COc3ccccc3O2)O1
InChI KeyHMIVLAFYUFJJOD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass benzo-1,4-dioxanes
Direct Parent benzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • para dioxins
  • tetrahydrofurans
    • Substituents
  • benzo-1,4-dioxane
  • carbonyl group
  • ether
  • tetrahydrofuran
  • alkyl aryl ether
  • carboxylic acid derivative
  • gamma butyrolactone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • para-dioxin
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound