| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:18:04 UTC |
|---|
| Update Date | 2025-03-25 01:00:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02242549 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16 |
|---|
| Molecular Mass | 172.1252 |
|---|
| SMILES | C=CCC(=CC)c1ccc(C)cc1 |
|---|
| InChI Key | HOSHWWXRHRMZGL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | toluenes |
|---|
| Direct Parent | toluenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | branched unsaturated hydrocarbonscyclic olefinsunsaturated aliphatic hydrocarbons |
|---|
| Substituents | aromatic homomonocyclic compoundcyclic olefinbranched unsaturated hydrocarbonunsaturated aliphatic hydrocarbonolefintoluenehydrocarbonunsaturated hydrocarbon |
|---|
