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CHEBI:3825 - Colubrin
| Formula | C48H76O18 |
| Net Charge | 0 |
| Average Mass | 941.118 |
| Monoisotopic Mass | 940.50317 |
| 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](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3OC(C)=O)CC[C@]21C |
| InChI | InChI=1S/C48H76O18/c1-22(2)15-24-16-46(8,57)39-25-9-10-30-44(6)13-12-31(43(4,5)29(44)11-14-45(30,7)47(25)20-48(39,66-24)60-21-47)63-41-38(61-23(3)50)36(27(52)19-59-41)64-42-37(34(55)33(54)28(17-49)62-42)65-40-35(56)32(53)26(51)18-58-40/h15,24-42,49,51-57H,9-14,16-21H2,1-8H3/t24-,25+,26+,27-,28+,29-,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40-,41-,42-,44-,45+,46-,47-,48-/m0/s1 |
| InChIKey | ZIUOAVDHMLNSNY-QGEXMSAISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Colubrin (CHEBI:3825) is a triterpenoid (CHEBI:36615) |
| Synonym | Source |
|---|---|
| Colubrin | KEGG COMPOUND |