| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:42 UTC |
|---|
| Update Date | 2025-03-21 18:06:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00063820 |
|---|
| Frequency | 48.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H22O14 |
|---|
| Molecular Mass | 462.101 |
|---|
| SMILES | O=C(O)C1OC(Oc2ccc(C3OC(C(=O)O)C(O)C(O)C3O)c(O)c2)C(O)C(O)C1O |
|---|
| InChI Key | JJZWVOHBUMBMIL-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl glycosidesbeta hydroxy acids and derivativesc-glucuronidescarbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
|---|
| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl ether1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundc-glucuronidealcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundalkyl glycoside |
|---|
