| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:55:54 UTC |
|---|
| Update Date | 2025-03-21 18:04:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00052569 |
|---|
| Frequency | 61.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16O7 |
|---|
| Molecular Mass | 272.0896 |
|---|
| SMILES | O=C(CCC(O)Cc1cc(O)c(O)c(O)c1)OCO |
|---|
| InChI Key | PAFCSVZTPHDSBE-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 estersfatty acid estershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl grouppyrogallol derivative1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhemiacetalhydrocarbon derivativeorganooxygen compound |
|---|
