| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:55 UTC |
|---|
| Update Date | 2025-03-25 00:46:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02157832 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H20O9 |
|---|
| Molecular Mass | 356.1107 |
|---|
| SMILES | O=C(O)CCCC(=O)OC(=O)CCC(O)Cc1cc(O)c(O)c(O)c1 |
|---|
| InChI Key | UOESBRLQYLZWHO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | benzenetriols and derivatives |
|---|
| Direct Parent | pyrogallols and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid anhydridescarboxylic acidshydrocarbon derivativesorganic oxidessecondary alcoholstricarboxylic acids and derivatives |
|---|
| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidpyrogallol derivative1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid anhydridesecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
