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CHEBI:2364 - abrusoside A
| Formula | C36H54O10 |
| Net Charge | 0 |
| Average Mass | 646.818 |
| Monoisotopic Mass | 646.37170 |
| SMILES | [H][C@@]12CC[C@]3([H])[C@@]4(CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@]3(C)C(=O)O)C[C@@]14CC[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)[C@]1([H])CC=C(C)C(=O)O1 |
| InChI | InChI=1S/C36H54O10/c1-18-6-7-21(44-29(18)41)19(2)20-10-12-33(4)23-8-9-24-34(5,31(42)43)25(46-30-28(40)27(39)26(38)22(16-37)45-30)11-13-35(24)17-36(23,35)15-14-32(20,33)3/h6,19-28,30,37-40H,7-17H2,1-5H3,(H,42,43)/t19-,20+,21-,22+,23-,24-,25-,26+,27-,28+,30-,32+,33-,34-,35+,36-/m0/s1 |
| InChIKey | CJHYXUPCGHKJOO-AYOTXDKCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Abrus precatorius (ncbitaxon:3816) | - | PubMed (2691636) |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| abrusoside A (CHEBI:2364) has role plant metabolite (CHEBI:76924) |
| abrusoside A (CHEBI:2364) is a pentacyclic triterpenoid (CHEBI:25872) |
| abrusoside A (CHEBI:2364) is a steroid lactone (CHEBI:26766) |
| abrusoside A (CHEBI:2364) is a triterpenoid saponin (CHEBI:61778) |
| IUPAC Name |
|---|
| (22S,24Z)-3β-(β-D-glucopyranosyloxy)-26-oxo-22,26-epoxy-9β,19-cyclolanost-24-en-28-oic acid |
| Synonym | Source |
|---|---|
| Abrusoside A | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C08920 | KEGG COMPOUND |
| C00003496 | KNApSAcK |
| LMST01100009 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6993850 | Reaxys |
| CAS:124962-06-7 | KEGG COMPOUND |
| Citations |
|---|