| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:36:27 UTC |
|---|
| Update Date | 2025-03-21 17:57:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00007176 |
|---|
| Frequency | 709.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18 |
|---|
| Molecular Mass | 162.1409 |
|---|
| SMILES | CC(C)c1ccccc1C(C)C |
|---|
| InChI Key | OKIRBHVFJGXOIS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | cumenes |
|---|
| Direct Parent | cumenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | phenylpropanessaturated hydrocarbons |
|---|
| Substituents | phenylpropanearomatic homomonocyclic compoundsaturated hydrocarboncumenehydrocarbon |
|---|
