| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:54:01 UTC |
|---|
| Update Date | 2025-03-25 00:51:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02187671 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16O3 |
|---|
| Molecular Mass | 208.1099 |
|---|
| SMILES | CC(C)C(=O)c1ccc(C(O)CO)cc1 |
|---|
| InChI Key | OTXHJLORIOMDQN-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 | 1,2-diolsaromatic alcoholsaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesphenylpropanesprimary alcoholssecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholmonocyclic benzene moietyaryl alkyl ketonebenzoylphenylpropanearomatic homomonocyclic compoundorganic oxidesecondary alcoholhydrocarbon derivativebenzenoidprimary alcoholalkyl-phenylketone1,2-diol |
|---|
