Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:10:04 UTC
Update Date2025-03-21 18:31:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00086267
Frequency33.1
Structure
Chemical FormulaC22H34O
Molecular Mass314.261
SMILESCCCC=CCC=CCCCCCCCc1cccc(O)c1C
InChI KeyKRBYNUQQGRAZKR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass cresols
Direct Parent ortho cresols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • hydrocarbon derivatives
  • organooxygen compounds
  • toluenes
  • Substituents
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • organic oxygen compound
  • o-cresol
  • 1-hydroxy-2-unsubstituted benzenoid
  • hydrocarbon derivative
  • 1-hydroxy-4-unsubstituted benzenoid
  • toluene
  • organooxygen compound