| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:56:54 UTC |
|---|
| Update Date | 2025-03-21 18:05:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00054808 |
|---|
| Frequency | 58.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H22O7 |
|---|
| Molecular Mass | 326.1366 |
|---|
| SMILES | CCCCc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
|---|
| InChI Key | GERIAFADWKOZEM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acyl glycosides |
|---|
| Direct Parent | fatty acyl glycosides of mono- and disaccharides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsalkyl glycosidesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
|---|
| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundalkyl glycoside |
|---|
