Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:09:55 UTC
Update Date2025-03-21 18:31:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00085925
Frequency33.2
Structure
Chemical FormulaC9H10O2
Molecular Mass150.0681
SMILESCc1ccc2c(c1)OCCO2
InChI KeyAYTGARGOCPEHGL-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