| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:35:07 UTC |
|---|
| Update Date | 2025-03-21 17:56:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00004146 |
|---|
| Frequency | 1367.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H16 |
|---|
| Molecular Mass | 124.1252 |
|---|
| SMILES | CC(C)CC1=CCCC1 |
|---|
| InChI Key | AVBOQKCRSALLCN-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 | cycloalkenesunsaturated aliphatic hydrocarbons |
|---|
| Substituents | cyclic olefinbranched unsaturated hydrocarboncycloalkenealiphatic homomonocyclic compoundunsaturated aliphatic hydrocarbonolefin |
|---|
