| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:48:02 UTC |
|---|
| Update Date | 2025-03-25 00:49:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02173969 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H26O9 |
|---|
| Molecular Mass | 374.1577 |
|---|
| SMILES | CCCCCC=CC(=O)CCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
|---|
| InChI Key | PVMGJCGCUWDCHI-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 | acetalsacryloyl compoundsbeta hydroxy acids and derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesenonesfatty acid estersgamma-keto acids and derivativesglucuronic acid derivativeshydrocarbon derivativesketonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acido-glucuronidemonosaccharidealpha,beta-unsaturated ketonecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundoxaneorganoheterocyclic compoundenonealcoholpyran carboxylic acid or derivativeshydroxy acidgamma-keto acidoxacyclefatty acid esterpyranketo acidcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeacryloyl-group |
|---|
