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CHEBI:209516 - Daedaleaside E
| Formula | C41H62O11 |
| Net Charge | 0 |
| Average Mass | 730.936 |
| Monoisotopic Mass | 730.42921 |
| SMILES | C=C(CC[C@@H](C(=O)OC1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)C |
| InChI | InChI=1S/C41H62O11/c1-21(2)22(3)11-12-25(36(48)52-37-35(47)34(46)33(45)29(51-37)20-49-23(4)42)32-28(50-24(5)43)19-41(10)27-13-14-30-38(6,7)31(44)16-17-39(30,8)26(27)15-18-40(32,41)9/h21,25,28-30,32-35,37,45-47H,3,11-20H2,1-2,4-10H3/t25-,28-,29-,30+,32+,33-,34+,35-,37?,39-,40-,41+/m1/s1 |
| InChIKey | RUAKGNYESYUQPT-HOQFIIGFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Daedalea dickinsii (ncbitaxon:157706) | - | PubMed (15974617) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Daedaleaside E (CHEBI:209516) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| [(3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl] (2R)-2-[(5R,10S,13R,14R,16R,17R)-16-acetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoate |
| Manual Xrefs | Databases |
|---|---|
| 78437396 | ChemSpider |