| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:45:37 UTC |
|---|
| Update Date | 2025-03-25 00:48:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02168434 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H20O4 |
|---|
| Molecular Mass | 264.1362 |
|---|
| SMILES | CC(C)C(O)C(=O)c1ccc(C(C)(C)C(=O)O)cc1 |
|---|
| InChI Key | XFKRKWNNJCXZGY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acyloinsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanessecondary alcohols |
|---|
| Substituents | alcoholmonocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylcarboxylic acid derivativebutyrophenonephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesacyloinsecondary alcoholhydrocarbon derivativebenzenoidalkyl-phenylketone |
|---|
