Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:12 UTC
Update Date2025-03-25 00:45:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151590
Frequency0.5
Structure
Chemical FormulaC11H12O3
Molecular Mass192.0786
SMILESCC(=CC(=O)O)c1cc(C)ccc1O
InChI KeyJUPWTFPTKURTNZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass hydroxycinnamic acids and derivatives
Direct Parent hydroxycinnamic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • para cresols
  • phenylpropenes
  • toluenes
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • hydroxycinnamic acid
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenylpropene
  • p-cresol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • toluene
  • organooxygen compound