| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:42:06 UTC |
|---|
| Update Date | 2025-03-21 17:59:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00019989 |
|---|
| Frequency | 203.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O3 |
|---|
| Molecular Mass | 166.063 |
|---|
| SMILES | Cc1cccc(CC(=O)O)c1O |
|---|
| InChI Key | JADFOLPTRGGJBD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylacetic acids |
|---|
| Direct Parent | 2(hydroxyphenyl)acetic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesortho cresolstoluenes |
|---|
| Substituents | carbonyl groupcarboxylic acid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundo-cresolphenolhydrocarbon derivativetolueneorganooxygen compound2(hydroxyphenyl)acetic acid |
|---|
