| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:08:57 UTC |
|---|
| Update Date | 2025-03-21 18:30:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00083642 |
|---|
| Frequency | 34.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H18O5 |
|---|
| Molecular Mass | 266.1154 |
|---|
| SMILES | CC(C)(O)Cc1ccc(C(CC(=O)O)C(=O)O)cc1 |
|---|
| InChI Key | BMPCQKVWXKVXGH-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 acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanestertiary alcohols |
|---|
| Substituents | alcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidp-cymenecarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundtertiary alcoholorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
|---|
