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CHEBI:9185 - Solamargine
| Formula | C45H73NO15 |
| Net Charge | 0 |
| Average Mass | 868.071 |
| Monoisotopic Mass | 867.49802 |
| SMILES | [H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@]3(CC[C@@H](C)CN3)[C@@H](C)[C@]12[H] |
| InChI | InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1 |
| InChIKey | MBWUSSKCCUMJHO-ZGXDEBHDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Solamargine (CHEBI:9185) is a azaspiro compound (CHEBI:35624) |
| Solamargine (CHEBI:9185) is a oxaspiro compound (CHEBI:37948) |
| Solamargine (CHEBI:9185) is a steroid (CHEBI:35341) |
| Synonym | Source |
|---|---|
| Solamargine | KEGG COMPOUND |