| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:38:36 UTC |
|---|
| Update Date | 2025-03-21 17:58:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00012221 |
|---|
| Frequency | 373.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O3 |
|---|
| Molecular Mass | 166.063 |
|---|
| SMILES | Cc1ccc(C(O)C(=O)O)cc1 |
|---|
| InChI Key | SFGURAWGCAPHON-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 | alpha hydroxy acids and derivativesaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholcarbonyl groupcarboxylic acidalpha-hydroxy acidhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativetolueneorganooxygen compound |
|---|
