| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:30:47 UTC |
|---|
| Update Date | 2025-03-21 18:41:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00135862 |
|---|
| Frequency | 18.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H6O6 |
|---|
| Molecular Mass | 198.0164 |
|---|
| SMILES | O=C(O)C(=O)c1ccc(O)c(O)c1O |
|---|
| InChI Key | NHOWAKFFHUHTLN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | benzenetriols and derivatives |
|---|
| Direct Parent | 5-unsubstituted pyrrogallols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha-keto acids and derivativesaryl ketonesbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesvinylogous acids |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeketonearomatic homomonocyclic compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound5-unsubstituted pyrrogallolketo acidalpha-keto acidhydrocarbon derivativeorganooxygen compoundaryl ketone |
|---|
