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CHEBI:754794 - bimosiamose disodium
| Formula | Na.C46H52O16.Na |
| Net Charge | 0 |
| Average Mass | 906.886 |
| Monoisotopic Mass | 906.30507 |
| SMILES | O=C([O-])Cc1cccc(-c2cc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(-c4cccc(CC(=O)[O-])c4)c3)ccc2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1.[Na+].[Na+] |
| InChI | InChI=1S/C46H54O16.2Na/c47-23-35-39(53)41(55)43(57)45(61-35)59-33-15-13-25(19-31(33)29-11-5-9-27(17-29)21-37(49)50)7-3-1-2-4-8-26-14-16-34(60-46-44(58)42(56)40(54)36(24-48)62-46)32(20-26)30-12-6-10-28(18-30)22-38(51)52;;/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52);;/q;2*+1/p-2/t35-,36-,39-,40-,41+,42+,43+,44+,45+,46+;;/m1../s1 |
| InChIKey | ZGEPTUZKSXWWAB-PNGDFCJYSA-L |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bimosiamose disodium (CHEBI:754794) is a O-acyl carbohydrate (CHEBI:52782) |
| Synonyms | Source |
|---|---|
| Bimosiamose disodium | ChEMBL |
| Bimosiamose disodium salt | ChEMBL |
| TBC-1269 | ChEMBL |
| TBC-1269Z | ChEMBL |
| TBC1269Z | ChEMBL |