| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:44:02 UTC |
|---|
| Update Date | 2025-03-25 00:47:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02164804 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O2 |
|---|
| Molecular Mass | 140.0837 |
|---|
| SMILES | CC(O)C1=C(C=O)CCC1 |
|---|
| InChI Key | WHHSEWVCKXAJNV-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 homomonocyclic compounds |
|---|
| Alternative Parents | aldehydeshydrocarbon derivativesorganic oxides |
|---|
| Substituents | carbonyl grouporganic oxidesecondary alcoholaliphatic homomonocyclic compoundaldehydehydrocarbon derivative |
|---|
