| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:18 UTC |
|---|
| Update Date | 2025-03-21 18:03:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00044081 |
|---|
| Frequency | 76.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O5 |
|---|
| Molecular Mass | 198.0528 |
|---|
| SMILES | COC(=O)c1cc(O)c(O)c(O)c1C |
|---|
| InChI Key | PEKRKZQCIMEEMC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | m-hydroxybenzoic acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativeshydrocarbon derivativesmeta cresolsmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsortho cresolspara cresolspyrogallols and derivativestoluenesp-hydroxybenzoic acid alkyl esters |
|---|
| Substituents | p-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidemethyl esterp-cresolo-cresolm-hydroxybenzoic acid esterpyrogallol derivativem-cresolbenzenetriol1-hydroxy-4-unsubstituted benzenoidp-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativetolueneorganooxygen compound |
|---|
