| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:45:32 UTC |
|---|
| Update Date | 2025-03-25 00:48:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02168251 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C37H58O9 |
|---|
| Molecular Mass | 646.4081 |
|---|
| SMILES | CC(CCC(=O)O)C1CCC2C3=C(CCC21C)C1(C)CCC2C(C)(C)C(OC4OC(C(=O)O)C(O)C(O)C4O)CCC2(C)C1CC3 |
|---|
| InChI Key | PKHIIJXFZLGUDA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | monosaccharides |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetalsbeta hydroxy acids and derivativesbile acids, alcohols and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativeso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssesterterpenoidsshort-chain hydroxy acids and derivativesterpene glycosides |
|---|
| Substituents | carbonyl groupcarboxylic acidshort-chain hydroxy acidglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativebile acid, alcohol, or derivativespyran carboxylic acidsesterterpenoid1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundsteroidalcoholpyran carboxylic acid or derivativesterpene glycosidehydroxy acidoxacyclepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
|---|
