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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:48 UTC
Update Date2025-03-25 00:50:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180363
Frequency0.5
Structure
Chemical FormulaC12H16O3
Molecular Mass208.1099
SMILESOc1ccc(C(O)C2CCCC2O)cc1
InChI KeyATTFYQZGLULMPZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • benzene and substituted derivatives
  • cyclic alcohols and derivatives
  • cyclopentanols
  • hydrocarbon derivatives
    • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • cyclic alcohol
  • cyclopentanol
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound