| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 09:40:46 UTC |
|---|
| Update Date | 2025-03-24 20:25:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01444725 |
|---|
| Frequency | 0.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10O2 |
|---|
| Molecular Mass | 138.0681 |
|---|
| SMILES | O=C=CC1(O)C=CCCC1 |
|---|
| InChI Key | MSCZBDGXSMUURD-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 homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesketenesorganic oxidesynolates |
|---|
| Substituents | tertiary alcoholorganic oxideynolatealiphatic homomonocyclic compoundhydrocarbon derivativeketene |
|---|
