| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:00 UTC |
|---|
| Update Date | 2025-03-25 00:54:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02203532 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H22O9 |
|---|
| Molecular Mass | 322.1264 |
|---|
| SMILES | O=C(O)CCCCCCC(=O)OC1OC(O)C(O)C(O)C1O |
|---|
| InChI Key | XZSPKLZLZFQTCO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | medium-chain hydroxy acids and derivatives |
|---|
| Direct Parent | medium-chain hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidmonosaccharidecarboxylic acid derivativemedium-chain hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundhemiacetalmedium-chain fatty acidhydroxy fatty acidoxaneorganoheterocyclic compoundalcoholoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
