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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:20 UTC
Update Date2025-03-25 00:47:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158742
Frequency0.5
Structure
Chemical FormulaC11H12O4
Molecular Mass208.0736
SMILESOC1C=COC(Oc2ccccc2)C1O
InChI KeyRJHKPOLFQJCZMV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • acetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • oxacycle
  • organic oxygen compound
  • acetal
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • organoheterocyclic compound
  • organooxygen compound
  • 1,2-diol