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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:15 UTC
Update Date2025-03-25 00:51:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185905
Frequency0.5
Structure
Chemical FormulaC11H16O4
Molecular Mass212.1049
SMILESOCC(O)COCCc1ccc(O)cc1
InChI KeySNVMPBUIACMYPW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass tyrosols and derivatives
Direct Parent tyrosols and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-o-alkylglycerols
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzene and substituted derivatives
  • dialkyl ethers
  • glycerol ethers
  • hydrocarbon derivatives
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • ether
  • 1-o-alkylglycerol
  • 1-hydroxy-2-unsubstituted benzenoid
  • dialkyl ether
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • glycerolipid
  • secondary alcohol
  • hydrocarbon derivative
  • tyrosol derivative
  • primary alcohol
  • glycerol ether
  • organooxygen compound
  • 1,2-diol