Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:45 UTC
Update Date2025-03-21 18:41:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00133520
Frequency18.9
Structure
Chemical FormulaC12H16O3
Molecular Mass208.1099
SMILESOc1ccc(C2(O)CCCCC2)cc1O
InChI KeyQVEOHQWJTGHBHC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass cyclohexylphenols
Direct Parent cyclohexylphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • cyclic alcohols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • tertiary alcohols
  • Substituents
  • alcohol
  • cyclohexylphenol
  • cyclohexanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • organooxygen compound