Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:16 UTC
Update Date2025-03-21 18:34:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00101175
Frequency27.0
Structure
Chemical FormulaC11H12O2
Molecular Mass176.0837
SMILESCc1ccc(C)c(C=CC(=O)O)c1
InChI KeyFAIBVLSPNAHVSQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass cinnamic acids and derivatives
Direct Parent cinnamic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • p-xylenes
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • xylene
  • cinnamic acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • p-xylene
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound