| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:10:22 UTC |
|---|
| Update Date | 2025-03-21 18:31:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00086948 |
|---|
| Frequency | 32.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14O2 |
|---|
| Molecular Mass | 178.0994 |
|---|
| SMILES | Cc1ccccc1C(C)(C)C(=O)O |
|---|
| InChI Key | JUQWLDBKXSYNQU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylpropanes |
|---|
| Direct Parent | phenylpropanes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestoluenes |
|---|
| Substituents | carbonyl groupcarboxylic acidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativetolueneorganooxygen compound |
|---|
