| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:09:59 UTC |
|---|
| Update Date | 2025-03-25 00:57:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02224433 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H32O17 |
|---|
| Molecular Mass | 532.164 |
|---|
| SMILES | O=C(O)C1C(O)C(O)C(O)C(OCC2OC(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C1O |
|---|
| InChI Key | BSSVFONFHMNTOG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | cyclohexanols |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativesdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcohols |
|---|
| Substituents | carbonyl groupethercarboxylic acidmonosaccharidecarboxylic acid derivativedialkyl etherbeta-hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundoxaneprimary alcoholorganoheterocyclic compoundcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholoxacyclemonocarboxylic acid or derivativeshydrocarbon derivative |
|---|
