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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:01 UTC
Update Date2025-03-25 00:53:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02198981
Frequency0.5
Structure
Chemical FormulaC16H24O2
Molecular Mass248.1776
SMILESCOc1cccc(CC(CO)C2CCCCC2)c1
InChI KeyHKBFLNAQJKLSPE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • phenoxy compounds
  • primary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • primary alcohol
  • organooxygen compound