| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:57 UTC |
|---|
| Update Date | 2025-03-21 18:34:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00100386 |
|---|
| Frequency | 27.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12 |
|---|
| Molecular Mass | 108.0939 |
|---|
| SMILES | C=CC=CC(=C)CC |
|---|
| InChI Key | DFQJFKHCOOHPEO-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 |
|---|
