| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 03:23:02 UTC |
|---|
| Update Date | 2025-03-21 22:17:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00539825 |
|---|
| Frequency | 3.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12 |
|---|
| Molecular Mass | 108.0939 |
|---|
| SMILES | C=CCC(=C)C=CC |
|---|
| InChI Key | AGESRJGCXYAYON-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | hydrocarbons |
|---|
| Class | unsaturated hydrocarbons |
|---|
| Subclass | branched unsaturated hydrocarbons |
|---|
| Direct Parent | branched unsaturated hydrocarbons |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkatrienesunsaturated aliphatic hydrocarbons |
|---|
| Substituents | aliphatic acyclic compoundbranched unsaturated hydrocarbonalkatrieneunsaturated aliphatic hydrocarbonolefinacyclic olefin |
|---|
