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CHEBI:750810 - brucine sulfate
| Formula | H2O4S.C23H26N2O4.C23H26N2O4 |
| Net Charge | 0 |
| Average Mass | 887.021 |
| Monoisotopic Mass | 886.34589 |
| SMILES | O=S(=O)(O)O.[H][C@@]12N3C(=O)C[C@]4([H])OCC=C5CN6CC[C@@]1(c1cc(OC)c(OC)cc13)[C@]6([H])C[C@]5([H])[C@]24[H].[H][C@@]12N3C(=O)C[C@]4([H])OCC=C5CN6CC[C@@]1(c1cc(OC)c(OC)cc13)[C@]6([H])C[C@]5([H])[C@]24[H] |
| InChI | InChI=1S/2C23H26N2O4.H2O4S/c2*1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-5(2,3)4/h2*3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4)/t2*13-,18-,19-,21-,22-,23+;/m00./s1 |
| InChIKey | HCMSIGALSOEZRW-WIMNQIPBSA-N |
| Roles Classification |
|---|
| Biological Role: | 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) |
| brucine sulfate (CHEBI:750810) is a alkaloid (CHEBI:22315) |
| Synonyms | Source |
|---|---|
| 10,11-dimethoxystrychnine sulfate | ChEMBL |
| Brucine sulfate | ChEMBL |
| Brucine sulfate anhydrous | ChEMBL |
| Brucine sulphate | ChEMBL |
| Brucine sulphate anhydrous | ChEMBL |
| NSC-463 | ChEMBL |