| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:48:23 UTC |
|---|
| Update Date | 2025-03-25 00:49:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02174786 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H20O2 |
|---|
| Molecular Mass | 160.1463 |
|---|
| SMILES | CCCC(O)CC(C)(O)CC |
|---|
| InChI Key | XBLNKUDXJYSPRZ-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 | hydrocarbon derivativessecondary alcohols |
|---|
| Substituents | aliphatic acyclic compoundtertiary alcoholsecondary alcoholhydrocarbon derivative |
|---|
