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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:58 UTC
Update Date2025-03-25 01:00:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02244681
Frequency0.5
Structure
Chemical FormulaC11H16O3
Molecular Mass196.1099
SMILESCCCCC(O)c1cc(O)ccc1O
InChI KeyVSMNAQBIFZLBTR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent hydroquinones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aromatic alcohols
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • hydroquinone
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound