| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:34 UTC |
|---|
| Update Date | 2025-03-25 00:54:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02209455 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10O2 |
|---|
| Molecular Mass | 138.0681 |
|---|
| SMILES | CC1=CC(C(=O)C=O)CC1 |
|---|
| InChI Key | HVTFDUBITCJBKW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alpha ketoaldehydes |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | ketoneorganic oxidealiphatic homomonocyclic compoundhydrocarbon derivativealpha-ketoaldehyde |
|---|
