| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 04:41:27 UTC |
|---|
| Update Date | 2025-03-24 14:00:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00726017 |
|---|
| Frequency | 2.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H6O2 |
|---|
| Molecular Mass | 122.0368 |
|---|
| SMILES | C=CC1C(=O)C=CC1=O |
|---|
| InChI Key | ASMPEODWBGXPLJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | beta-diketones |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | cyclic ketoneshydrocarbon derivativesorganic oxides |
|---|
| Substituents | ketoneorganic oxidealiphatic homomonocyclic compoundhydrocarbon derivativecyclic ketone1,3-diketone |
|---|
