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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:12 UTC
Update Date2025-03-25 00:50:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178964
Frequency0.5
Structure
Chemical FormulaC13H16O2
Molecular Mass204.115
SMILESOc1ccc(CC23CCC(CC2)O3)cc1
InChI KeyRTOVOMOGBBCHAY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • ether
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound