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CHEBI:4446 - Desglucomusennin
| Formula | C45H72O16 |
| Net Charge | 0 |
| Average Mass | 869.055 |
| Monoisotopic Mass | 868.48204 |
| SMILES | [H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)[C@H](O)C[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)CC[C@]21C |
| InChI | InChI=1S/C45H72O16/c1-40(2)14-15-45(39(54)55)22(16-40)21-8-9-27-42(5)12-11-29(41(3,4)26(42)10-13-43(27,6)44(21,7)17-28(45)49)59-37-34(31(51)24(47)19-57-37)61-38-35(32(52)25(48)20-58-38)60-36-33(53)30(50)23(46)18-56-36/h8,22-38,46-53H,9-20H2,1-7H3,(H,54,55)/t22-,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-,33+,34+,35+,36-,37-,38-,42-,43+,44+,45+/m0/s1 |
| InChIKey | TVXISIJXIXGTQS-PNVPXRELSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Desglucomusennin (CHEBI:4446) is a triterpenoid (CHEBI:36615) |
| Synonym | Source |
|---|---|
| Desglucomusennin | KEGG COMPOUND |