Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:46 UTC
Update Date2025-03-25 00:50:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180261
Frequency0.5
Structure
Chemical FormulaC11H14O2
Molecular Mass178.0994
SMILESCc1cc(C)c2c(c1)OCC(C)O2
InChI KeyYOGWPEGQKPSWIW-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
  • hydrocarbon derivatives
  • oxacyclic compounds
  • para dioxins
  • Substituents
  • benzo-1,4-dioxane
  • ether
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound