| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 10:30:36 UTC |
|---|
| Update Date | 2025-03-24 20:47:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01564001 |
|---|
| Frequency | 0.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12 |
|---|
| Molecular Mass | 144.0939 |
|---|
| SMILES | C#CC(C)(C)c1ccccc1 |
|---|
| InChI Key | HSLRPBYCTLRWGL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylpropanes |
|---|
| Direct Parent | phenylpropanes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acetylenesacetylidesunsaturated aliphatic hydrocarbons |
|---|
| Substituents | phenylpropanearomatic homomonocyclic compoundacetylideunsaturated aliphatic hydrocarbonhydrocarbonunsaturated hydrocarbonacetylene |
|---|
