Hmdb loader

Showing information for DMID02177213

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:26 UTC
Update Date2025-03-25 00:49:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177213
Frequency0.5
Structure
Chemical FormulaC12H16O3
Molecular Mass208.1099
SMILESCc1ccc(CO)c(C)c1C(C)C(=O)O
InChI KeyHTWNNZSWWXENKR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • benzyl alcohols
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • m-xylenes
    • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • m-xylene
  • benzyl alcohol
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • xylene
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 2-phenylpropanoic-acid
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound