| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:48 UTC |
|---|
| Update Date | 2025-03-25 00:54:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02207629 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H32O15 |
|---|
| Molecular Mass | 536.1741 |
|---|
| SMILES | O=C(CCC(O)OC(=O)CCC(O)Cc1ccc(O)c(O)c1)OCOC1OC(C(O)O)C(O)C(O)C1O |
|---|
| InChI Key | KLLBKKJKAYHIPU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acid esters |
|---|
| Direct Parent | fatty acid esters |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativescarbonyl compoundscarbonyl hydratescarboxylic acid estersdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarbonyl hydratearomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideacetalhemiacetaloxaneorganoheterocyclic compoundalcohol1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
