| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:36:54 UTC |
|---|
| Update Date | 2025-03-25 01:07:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02285764 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H12O2 |
|---|
| Molecular Mass | 116.0837 |
|---|
| SMILES | C=COCC(C)(C)O |
|---|
| InChI Key | HCBAQTCAWQENBZ-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 derivatives |
|---|
| Substituents | aliphatic acyclic compoundtertiary alcoholhydrocarbon derivative |
|---|
