Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:55 UTC
Update Date2025-03-25 01:01:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251518
Frequency0.5
Structure
Chemical FormulaC12H16O3
Molecular Mass208.1099
SMILESOc1cc(O)cc(C2CCC(O)CC2)c1
InChI KeyAQKVVKYWGBLGBX-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
  • resorcinols
  • Substituents
  • alcohol
  • cyclohexylphenol
  • cyclohexanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • resorcinol
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • organooxygen compound