| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:56:41 UTC |
|---|
| Update Date | 2025-03-21 18:05:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00054316 |
|---|
| Frequency | 59.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16O13 |
|---|
| Molecular Mass | 368.0591 |
|---|
| SMILES | O=C(O)CC(O)(CC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O |
|---|
| InChI Key | AZZDKPQYUUNKPH-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 | acetalsalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstertiary alcoholstetracarboxylic acids and derivatives |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidalpha-hydroxy acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetracarboxylic acid or derivativeshydroxy acidoxacyclefatty acid estertertiary alcoholpyrancarboxylic acid estersecondary alcoholhydrocarbon derivative |
|---|
