| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:41 UTC |
|---|
| Update Date | 2025-03-21 18:33:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00097310 |
|---|
| Frequency | 28.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H22O10 |
|---|
| Molecular Mass | 338.1213 |
|---|
| SMILES | O=C(O)C1(O)CCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1 |
|---|
| InChI Key | DOAFMQQMGSLDEG-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 | acetalsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholstertiary alcohols |
|---|
| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideacetalaliphatic heteromonocyclic compoundoxaneprimary alcoholorganoheterocyclic compoundcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholoxacycletertiary alcoholmonocarboxylic acid or derivativeshydrocarbon derivative |
|---|
