| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:58:44 UTC |
|---|
| Update Date | 2025-03-21 18:05:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00059177 |
|---|
| Frequency | 53.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18O4 |
|---|
| Molecular Mass | 238.1205 |
|---|
| SMILES | CC(C)C(O)c1ccc(C(CO)C(=O)O)cc1 |
|---|
| InChI Key | WTJGSGWDLKRVEL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | prenol lipids |
|---|
| Subclass | monoterpenoids |
|---|
| Direct Parent | aromatic monoterpenoids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanesprimary alcoholssecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidp-cymenehydroxy acidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidprimary alcoholorganooxygen compoundaromatic monoterpenoid |
|---|