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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:34:49 UTC
Update Date2025-03-21 17:56:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00003404
Frequency1713.6
Structure
Chemical FormulaC10H12O2
Molecular Mass164.0837
SMILESC=CCc1ccc(OC)c(O)c1
InChI KeyNPBVQXIMTZKSBA-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound