Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:36:35 UTC
Update Date2025-03-21 17:57:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00007493
Frequency673.7
Structure
Chemical FormulaC9H10O2
Molecular Mass150.0681
SMILESCC(=O)c1cccc(C)c1O
InChI KeyGUGXENROMIJRPN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetophenones
  • aryl alkyl ketones
  • benzoyl derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • ortho cresols
  • toluenes
  • vinylogous acids
  • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • vinylogous acid
  • organic oxide
  • o-cresol
  • acetophenone
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • toluene
  • alkyl-phenylketone