| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 08:07:45 UTC |
|---|
| Update Date | 2025-03-24 22:30:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01222099 |
|---|
| Frequency | 1.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12 |
|---|
| Molecular Mass | 108.0939 |
|---|
| SMILES | CCCC1=CC=CC1 |
|---|
| InChI Key | RZPAXISDLOEXPI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | hydrocarbons |
|---|
| Class | unsaturated hydrocarbons |
|---|
| Subclass | branched unsaturated hydrocarbons |
|---|
| Direct Parent | branched unsaturated hydrocarbons |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | cyclic olefinsunsaturated aliphatic hydrocarbons |
|---|
| Substituents | cyclic olefinbranched unsaturated hydrocarbonaliphatic homomonocyclic compoundunsaturated aliphatic hydrocarbonolefin |
|---|
