| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:32 UTC |
|---|
| Update Date | 2025-03-21 18:36:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00109210 |
|---|
| Frequency | 24.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14O2 |
|---|
| Molecular Mass | 178.0994 |
|---|
| SMILES | Cc1ccc(CCC(=O)O)c(C)c1 |
|---|
| InChI Key | KNPUGELUZIPXCW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | phenylpropanoic acids |
|---|
| Subclass | phenylpropanoic acids |
|---|
| Direct Parent | phenylpropanoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesm-xylenes |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidm-xylenecarboxylic acid derivativearomatic homomonocyclic compoundxyleneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
