Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:41 UTC
Update Date2025-03-25 00:46:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155131
Frequency0.5
Structure
Chemical FormulaC12H16O3
Molecular Mass208.1099
SMILESCc1cc(O)c(C=O)c(C(C)(C)C)c1O
InChI KeyWHYNQVPHVMBYHM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzoyl derivatives
  • hydrocarbon derivatives
  • hydroquinones
  • hydroxybenzaldehydes
  • meta cresols
  • organic oxides
  • organooxygen compounds
  • ortho cresols
  • toluenes
  • vinylogous acids
  • Substituents
  • m-cresol
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • aldehyde
  • hydroquinone
  • phenylpropane
  • aromatic homomonocyclic compound
  • vinylogous acid
  • benzaldehyde
  • organic oxide
  • aryl-aldehyde
  • organic oxygen compound
  • o-cresol
  • phenol
  • hydrocarbon derivative
  • hydroxybenzaldehyde
  • toluene
  • organooxygen compound