| Record Information |
|---|
| HMDB Status | quantified |
|---|
| Creation Date | 2024-02-20 23:33:54 UTC |
|---|
| Update Date | 2025-03-21 17:56:25 UTC |
|---|
| HMDB ID | HMDB0002340 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00001260 |
|---|
| Name | 2-Methylbenzoic acid |
|---|
| Frequency | 4587.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8O2 |
|---|
| Molecular Mass | 136.0524 |
|---|
| SMILES | Cc1ccccc1C(=O)O |
|---|
| InChI Key | ZWLPBLYKEWSWPD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundstoluenes |
|---|
| Substituents | carboxylic acidbenzoylcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidtolueneorganooxygen compound |
|---|
