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Record Information
HMDB Statusexpected
Creation Date2024-02-21 00:17:54 UTC
Update Date2025-03-21 18:35:21 UTC
HMDB IDHMDB0040528
Metabolite Identification
DeepMet IDDMID00105184
Name1,4-Benzodioxin-2(3H)-one
Frequency25.7
Structure
Chemical FormulaC8H6O3
Molecular Mass150.0317
SMILESO=C1COc2ccccc2O1
InChI KeyULEKGOXADQVOIF-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
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • para dioxins
    • Substituents
  • benzo-1,4-dioxane
  • carbonyl group
  • ether
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • para-dioxin
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound