| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:03:26 UTC |
|---|
| Update Date | 2025-03-21 18:28:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00070373 |
|---|
| Frequency | 42.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H20O4 |
|---|
| Molecular Mass | 264.1362 |
|---|
| SMILES | CC(=O)OCC(C)Cc1ccc(C(C)C(=O)O)cc1 |
|---|
| InChI Key | ZASYVJYZOJYUOA-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 monoterpenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanes |
|---|
| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidp-cymenecarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compound2-phenylpropanoic-acidcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
|---|
