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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:55 UTC
Update Date2025-03-25 00:46:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155660
Frequency0.5
Structure
Chemical FormulaC10H14O2
Molecular Mass166.0994
SMILESCc1cccc(OCC(C)O)c1
InChI KeyDKTVQFUMIUPSGI-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
  • phenoxy compounds
  • secondary alcohols
  • toluenes
    • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • toluene
  • organooxygen compound