| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:55:06 UTC |
|---|
| Update Date | 2025-03-21 18:04:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00050710 |
|---|
| Frequency | 64.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H6O2 |
|---|
| Molecular Mass | 98.0368 |
|---|
| SMILES | CC(C=O)=CC=O |
|---|
| InChI Key | USBJWIKCHJDWPF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | short-chain aldehydes |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundorganic oxideshort-chain aldehydehydrocarbon derivative |
|---|
