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CHEBI:211516 - Arthrobacilin B
| Formula | C56H100O21 |
| Net Charge | 0 |
| Average Mass | 1109.395 |
| Monoisotopic Mass | 1108.67571 |
| SMILES | CCCCCCCCCCC[C@@H]1CC(=O)OCC2OC(O[C@H](CCCCCCCCC)CC(=O)OCC3OC(O[C@H](CCCCCCCCC)CC(=O)OCC4OC(O1)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O |
| InChI | InChI=1S/C56H100O21/c1-4-7-10-13-16-17-20-23-26-29-38-32-44(59)71-35-40-46(61)49(64)52(67)55(76-40)73-36(27-24-21-18-14-11-8-5-2)30-42(57)69-33-39-45(60)48(63)51(66)54(75-39)72-37(28-25-22-19-15-12-9-6-3)31-43(58)70-34-41-47(62)50(65)53(68)56(74-38)77-41/h36-41,45-56,60-68H,4-35H2,1-3H3/t36-,37-,38-,39?,40?,41?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?/m1/s1 |
| InChIKey | WTOXTEMRVXJIRF-SCTFKLTNSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Arthrobacter (ncbitaxon:1663) | - | DOI (10.1016/s0040-4039(00)79062-9) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Arthrobacilin B (CHEBI:211516) is a O-acyl carbohydrate (CHEBI:52782) |
| IUPAC Name |
|---|
| (3R,14R,25R)-9,10,11,20,21,22,31,32,33-nonahydroxy-3,14-di(nonyl)-25-undecyl-2,6,13,17,24,28,34,35,36-nonaoxatetracyclo[28.3.1.18,12.119,23]hexatriacontane-5,16,27-trione |
| Manual Xrefs | Databases |
|---|---|
| 78445342 | ChemSpider |