| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:05:48 UTC |
|---|
| Update Date | 2025-03-25 00:55:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02214742 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12 |
|---|
| Molecular Mass | 120.0939 |
|---|
| SMILES | CC=C=C1C=CCCC1 |
|---|
| InChI Key | PQYFVAQRESYRPB-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 allenesunsaturated aliphatic hydrocarbons |
|---|
| Substituents | branched unsaturated hydrocarboncyclic allenealiphatic homomonocyclic compoundunsaturated aliphatic hydrocarbon |
|---|
