| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:35:45 UTC |
|---|
| Update Date | 2025-03-21 17:57:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00005577 |
|---|
| Frequency | 952.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H14 |
|---|
| Molecular Mass | 98.1096 |
|---|
| SMILES | CCC=CC(C)C |
|---|
| InChI Key | IQANHWBWTVLDTP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | hydrocarbons |
|---|
| Class | unsaturated hydrocarbons |
|---|
| Subclass | olefins |
|---|
| Direct Parent | alkenes |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | unsaturated aliphatic hydrocarbons |
|---|
| Substituents | aliphatic acyclic compoundalkeneunsaturated aliphatic hydrocarbon |
|---|
