Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:22 UTC
Update Date2025-03-25 01:01:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02247974
Frequency0.5
Structure
Chemical FormulaC13H18O2
Molecular Mass206.1307
SMILESCC(=O)CCc1ccc(OC(C)C)cc1
InChI KeyLYACMSNCVPKXOT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • phenoxy compounds
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • alkyl aryl ether
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound