| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:24 UTC |
|---|
| Update Date | 2025-03-21 17:59:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00018430 |
|---|
| Frequency | 224.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H12O |
|---|
| Molecular Mass | 100.0888 |
|---|
| SMILES | C=CC(O)C(C)C |
|---|
| InChI Key | SZKVYEHTIWILMA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | secondary alcohols |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivatives |
|---|
| Substituents | aliphatic acyclic compoundsecondary alcoholhydrocarbon derivative |
|---|
