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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:38 UTC
Update Date2025-03-25 00:50:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179948
Frequency0.5
Structure
Chemical FormulaC13H20O3
Molecular Mass224.1412
SMILESCOc1cc(CCC(C)CCO)ccc1O
InChI KeyPAFBUOLBAYXLPQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alcohols and polyols
  • alkyl aryl ethers
  • anisoles
  • fatty alcohols
  • hydrocarbon derivatives
  • methoxybenzenes
  • phenoxy compounds
    • Substituents
  • alcohol
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • fatty alcohol
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound