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CHEBI:9149 - Simplexoside
| Formula | C26H30O11 |
| Net Charge | 0 |
| Average Mass | 518.515 |
| Monoisotopic Mass | 518.17881 |
| SMILES | [H][C@]12CO[C@H](c3ccc4c(c3)OCO4)[C@@]1([H])CO[C@@H]2c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1 |
| InChI | InChI=1S/C26H30O11/c1-31-18-6-12(3-5-17(18)36-26-23(30)22(29)21(28)20(8-27)37-26)24-14-9-33-25(15(14)10-32-24)13-2-4-16-19(7-13)35-11-34-16/h2-7,14-15,20-30H,8-11H2,1H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1 |
| InChIKey | USVLFVSHBLNSOC-WMYFGKAISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Simplexoside (CHEBI:9149) is a glycoside (CHEBI:24400) |
| Simplexoside (CHEBI:9149) is a lignan (CHEBI:25036) |
| Synonym | Source |
|---|---|
| Simplexoside | KEGG COMPOUND |