| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:12:57 UTC |
|---|
| Update Date | 2025-03-25 00:58:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02230890 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C31H56NO10+ |
|---|
| Molecular Mass | 602.3899 |
|---|
| SMILES | CCCCCCCCCCCCCCCC=CC(=O)OC(CC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)C[N+](C)(C)C |
|---|
| InChI Key | QKLZSONGZYRQGX-UHFFFAOYSA-O |
|---|
| 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 | acetalsaminesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsenoate estersfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstetraalkylammonium saltstricarboxylic acids and derivatives |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acido-glucuronidemonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidealpha,beta-unsaturated carboxylic esterbeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundorganic cationoxaneorganic saltorganoheterocyclic compoundenoate esteralcoholpyran carboxylic acid or derivativestetraalkylammonium saltquaternary ammonium salthydroxy acidoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamine |
|---|
