| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:03 UTC |
|---|
| Update Date | 2025-03-25 00:54:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02208241 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H22O4S |
|---|
| Molecular Mass | 286.1239 |
|---|
| SMILES | CC(C)c1ccc(CC(C)(C)C)cc1OS(=O)(=O)O |
|---|
| InChI Key | JIUZOBIAPCBGCU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | phenylsulfates |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aromatic monoterpenoidscumeneshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesorganooxygen compoundsphenoxy compoundsphenylpropanessulfuric acid monoesters |
|---|
| Substituents | monoterpenoidmonocyclic benzene moietysulfuric acid monoestermonocyclic monoterpenoidp-cymenephenylpropanearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsulfate-estercumenehydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compoundaromatic monoterpenoid |
|---|
