Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:45:33 UTC
Update Date2025-03-21 18:00:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00027940
Frequency135.3
Structure
Chemical FormulaC9H10O
Molecular Mass134.0732
SMILESCc1ccc(C)c(C=O)c1
InChI KeySMUVABOERCFKRW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoyl derivatives
Direct Parent benzoyl derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzaldehydes
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • p-xylenes
  • Substituents
  • benzoyl
  • aldehyde
  • aromatic homomonocyclic compound
  • xylene
  • benzaldehyde
  • organic oxide
  • p-xylene
  • aryl-aldehyde
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound