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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:56 UTC
Update Date2025-03-25 00:56:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219704
Frequency0.5
Structure
Chemical FormulaC11H12O4
Molecular Mass208.0736
SMILESCc1c(C)c2c(c(C)c1O)COC(=O)O2
InChI KeyRDTVVHYKCYEJPB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass benzo-1,3-dioxanes
Direct Parent benzo-1,3-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • benzenoids
  • carbonic acid diesters
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • carbonic acid derivative
  • carbonic acid diester
  • benzo-1,3-dioxane
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound