| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:33:46 UTC |
|---|
| Update Date | 2025-03-21 17:56:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00000895 |
|---|
| Frequency | 6325.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14O4 |
|---|
| Molecular Mass | 222.0892 |
|---|
| SMILES | CC(C(=O)O)c1ccc(C(C)C(=O)O)cc1 |
|---|
| InChI Key | PYOMFFPNQQIONI-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 | aromatic monoterpenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxides |
|---|
| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidp-cymenecarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compound2-phenylpropanoic-aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
|---|
