Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:41:56 UTC
Update Date2025-03-21 17:59:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00019629
Frequency207.9
Structure
Chemical FormulaC9H12O
Molecular Mass136.0888
SMILESCCc1ccc(C)c(O)c1
InChI KeyAYGDIAGADYTJRY-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