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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:13 UTC
Update Date2025-03-25 00:46:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158486
Frequency0.5
Structure
Chemical FormulaC11H14O4
Molecular Mass210.0892
SMILESOCC1OC(O)CC1c1ccc(O)cc1
InChI KeyLXYMCOGTWYQIJV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • primary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • hemiacetal
  • hydrocarbon derivative
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound