| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:22:54 UTC |
|---|
| Update Date | 2025-03-21 18:37:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00117402 |
|---|
| Frequency | 22.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H20O9 |
|---|
| Molecular Mass | 344.1107 |
|---|
| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OC(C(=O)O)C(O)CO |
|---|
| InChI Key | SQFUYRZLCXQNNX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | beta hydroxy acids and derivatives |
|---|
| Direct Parent | beta hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesprimary alcoholssecondary alcohols |
|---|
| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterbeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary alcoholorganooxygen compound |
|---|
