| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:45:51 UTC |
|---|
| Update Date | 2025-03-21 18:00:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00028640 |
|---|
| Frequency | 131.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H22O11 |
|---|
| Molecular Mass | 402.1162 |
|---|
| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OC1C(C(=O)O)OC(O)C(O)C1O |
|---|
| InChI Key | BHVJLULVDLSVGM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | glucuronic acid derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidorganic oxidehemiacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid |
|---|
