Hmdb loader

Showing information for DMID02216885

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:44 UTC
Update Date2025-03-25 00:56:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02216885
Frequency0.5
Structure
Chemical FormulaC12H16O3
Molecular Mass208.1099
SMILESCOc1ccc(C2(C)CCOCO2)cc1
InChI KeyQGXMDWFIMIJALJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • acetals
  • alkyl aryl ethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • oxacyclic compounds
  • phenoxy compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • acetal
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • meta-dioxane
  • organoheterocyclic compound
  • organooxygen compound