| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:35:37 UTC |
|---|
| Update Date | 2025-03-21 17:57:02 UTC |
|---|
| HMDB ID | HMDB0061813 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00005257 |
|---|
| Name | 1-(1-Methylethenyl)-4-(1-methylethyl)benzene |
|---|
| Frequency | 1025.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16 |
|---|
| Molecular Mass | 160.1252 |
|---|
| SMILES | C=C(C)c1ccc(C(C)C)cc1 |
|---|
| InChI Key | XMCNZCCURGYSDQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | prenol lipids |
|---|
| Subclass | monoterpenoids |
|---|
| Direct Parent | aromatic monoterpenoids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | branched unsaturated hydrocarbonscumenescyclic olefinsmonocyclic monoterpenoidsphenylpropanesphenylpropenesunsaturated aliphatic hydrocarbons |
|---|
| Substituents | monocyclic benzene moietycyclic olefinmonocyclic monoterpenoidolefinp-cymenehydrocarbonunsaturated hydrocarbonphenylpropanearomatic homomonocyclic compoundbranched unsaturated hydrocarbonphenylpropeneunsaturated aliphatic hydrocarboncumenebenzenoidaromatic monoterpenoid |
|---|
