| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:26:03 UTC |
|---|
| Update Date | 2025-03-21 18:39:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00124755 |
|---|
| Frequency | 20.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12O3 |
|---|
| Molecular Mass | 180.0786 |
|---|
| SMILES | Cc1ccccc1C(CO)C(=O)O |
|---|
| InChI Key | XMNUWXJMQJUFBV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | toluenes |
|---|
| Direct Parent | toluenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcohols |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acidhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary alcoholtolueneorganooxygen compound |
|---|
