| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 09:20:52 UTC |
|---|
| Update Date | 2025-03-24 20:16:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01396935 |
|---|
| Frequency | 0.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12 |
|---|
| Molecular Mass | 108.0939 |
|---|
| SMILES | CCC#CC=CCC |
|---|
| InChI Key | DEDXOXBKCFZRJB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | hydrocarbons |
|---|
| Class | unsaturated hydrocarbons |
|---|
| Subclass | enynes |
|---|
| Direct Parent | enynes |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acyclic acetylenesacyclic olefinsunsaturated aliphatic hydrocarbons |
|---|
| Substituents | aliphatic acyclic compoundenyneunsaturated aliphatic hydrocarbonolefinacyclic olefinacyclic acetyleneacetylene |
|---|
