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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:49 UTC
Update Date2025-03-25 00:52:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193935
Frequency0.5
Structure
Chemical FormulaC11H16O4
Molecular Mass212.1049
SMILESCCc1ccc(OC(O)C(O)CO)cc1
InChI KeyMVSNSRRIHJPARQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • hemiacetals
  • hydrocarbon derivatives
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • hemiacetal
  • hydrocarbon derivative
  • phenoxy compound
  • primary alcohol
  • organooxygen compound
  • 1,2-diol