| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:42:32 UTC |
|---|
| Update Date | 2025-03-21 17:59:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00020968 |
|---|
| Frequency | 191.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O3 |
|---|
| Molecular Mass | 166.063 |
|---|
| SMILES | Cc1ccc(C)c(C(=O)O)c1O |
|---|
| InChI Key | SDQFDFFLPQFIHQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | salicylic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsortho cresolsvinylogous acidsp-xylenesp-xylenols |
|---|
| Substituents | carboxylic acidbenzoylsalicylic acidcarboxylic acid derivativexyleneorganic oxidexylenolo-cresol1-carboxy-2-haloaromatic compoundbenzoic acidm-cresol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesp-xyleneorganic oxygen compoundp-xylenolphenolhydrocarbon derivativeorganooxygen compound |
|---|
