| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:46:55 UTC |
|---|
| Update Date | 2025-03-25 00:49:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02171411 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12O4 |
|---|
| Molecular Mass | 196.0736 |
|---|
| SMILES | COCOc1ccc(C)cc1C(=O)O |
|---|
| InChI Key | GJKFJYSUMRVBGL-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 compoundsacetalsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenol ethersphenoxy compoundstoluenes |
|---|
| Substituents | phenol ethercarboxylic acidbenzoylcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidphenoxy compoundtolueneorganooxygen compound |
|---|
