| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:58:25 UTC |
|---|
| Update Date | 2025-03-21 18:05:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00058404 |
|---|
| Frequency | 54.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O6 |
|---|
| Molecular Mass | 214.0477 |
|---|
| SMILES | O=C(OCCO)c1cc(O)c(O)c(O)c1 |
|---|
| InChI Key | NNCBVVNCQYNPPB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | p-hydroxybenzoic acid alkyl esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalcohols and polyolsbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidespyrogallols and derivativesm-hydroxybenzoic acid esters |
|---|
| Substituents | alcoholpyrogallol derivativebenzenetriolbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativep-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativem-hydroxybenzoic acid esterorganooxygen compound |
|---|
