| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:05:38 UTC |
|---|
| Update Date | 2025-03-21 18:29:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00075645 |
|---|
| Frequency | 39.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O2 |
|---|
| Molecular Mass | 176.0837 |
|---|
| SMILES | CCC=C(C(=O)O)c1ccccc1 |
|---|
| InChI Key | QMMPIAPFEICUFE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzene and substituted derivatives |
|---|
| Direct Parent | benzene and substituted derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | aromatic homomonocyclic compoundmonocyclic benzene moietycarbonyl grouporganic oxidemonocarboxylic acid or derivativescarboxylic acidorganic oxygen compoundhydrocarbon derivativecarboxylic acid derivativeorganooxygen compound |
|---|
