| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:47:33 UTC |
|---|
| Update Date | 2025-03-21 18:50:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00175360 |
|---|
| Frequency | 13.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O2 |
|---|
| Molecular Mass | 140.0837 |
|---|
| SMILES | CCCCC(O)C=C=C=O |
|---|
| InChI Key | YBSYCZIADHNYJT-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 derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundorganic oxidesecondary alcoholhydrocarbon derivative |
|---|
