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CHEBI:3826 - Colubrinoside
| Formula | C50H78O19 |
| Net Charge | 0 |
| Average Mass | 983.155 |
| Monoisotopic Mass | 982.51373 |
| SMILES | [H][C@]12CC[C@@]3([H])[C@]4(CO[C@@]5(C4)O[C@@]([H])(C=C(C)C)C[C@](C)(O)[C@@]53[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3OC[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](OC(C)=O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H]3OC(C)=O)CC[C@]21C |
| InChI | InChI=1S/C50H78O19/c1-23(2)16-26-17-48(9,59)41-27-10-11-32-46(7)14-13-33(45(5,6)31(46)12-15-47(32,8)49(27)21-50(41,69-26)62-22-49)66-44-40(64-25(4)53)37(29(55)20-61-44)67-43-36(58)39(38(63-24(3)52)30(18-51)65-43)68-42-35(57)34(56)28(54)19-60-42/h16,26-44,51,54-59H,10-15,17-22H2,1-9H3/t26-,27+,28+,29-,30+,31-,32+,33-,34-,35+,36+,37-,38+,39+,40+,41-,42-,43-,44-,46-,47+,48-,49-,50-/m0/s1 |
| InChIKey | XZQXLJBNWHQGAB-OVVKAUKKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Colubrinoside (CHEBI:3826) is a triterpenoid (CHEBI:36615) |
| Synonym | Source |
|---|---|
| Colubrinoside | KEGG COMPOUND |