| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:31 UTC |
|---|
| Update Date | 2025-03-21 18:06:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00063350 |
|---|
| Frequency | 48.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H20O11 |
|---|
| Molecular Mass | 412.1006 |
|---|
| SMILES | O=C1CCC(Cc2ccc(OC3OC(C(=O)O)C(C(=O)O)C(O)C3O)c(O)c2)O1 |
|---|
| InChI Key | KHPKHEGDXHRCGT-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactoneshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidlactonebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclepyrancarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compound |
|---|
