| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:24 UTC |
|---|
| Update Date | 2025-03-25 00:59:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02238750 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H26O20 |
|---|
| Molecular Mass | 562.1017 |
|---|
| SMILES | O=C(O)C1OC(OC2(OC3C(C(=O)O)OC(O)C(O)C3O)OC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C1O |
|---|
| InChI Key | DWCZMFJIBZFRSG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | o-glucuronides |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid orthoesterscarboxylic acidsglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesortho estersoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
|---|
| Substituents | carbonyl groupcarboxylic acidortho estero-glucuronidemonosaccharidetricarboxylic acid or derivativescarboxylic acid orthoestercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundhemiacetalorthocarboxylic acid derivativeoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyransecondary alcoholhydrocarbon derivative |
|---|
