| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:11 UTC |
|---|
| Update Date | 2025-03-21 18:02:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00041363 |
|---|
| Frequency | 83.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H20O3 |
|---|
| Molecular Mass | 236.1412 |
|---|
| SMILES | CC(CC(=O)O)c1ccc(CC(C)(C)O)cc1 |
|---|
| InChI Key | UMQSHNVLZVYLBN-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 acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanestertiary alcohols |
|---|
| Substituents | alcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidp-cymenecarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
|---|
