| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 06:57:26 UTC |
|---|
| Update Date | 2025-03-24 19:49:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01052010 |
|---|
| Frequency | 1.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O |
|---|
| Molecular Mass | 112.0888 |
|---|
| SMILES | C#CCCC(C)(C)O |
|---|
| InChI Key | HBDIAYVNLDXHSZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | tertiary alcohols |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acetylideshydrocarbon derivatives |
|---|
| Substituents | aliphatic acyclic compoundtertiary alcoholacetylidehydrocarbon derivative |
|---|
