| Name |
Emarginatinine |
| Formula |
C43H50N2O20 |
| Mw |
914.29569206 |
| CAS RN |
156280-99-8 |
| C_ID |
C00028243
, 
|
| InChIKey |
QDGNJXLMHMXTSI-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C43H50N2O20/c1-20(46)57-17-27-31-29-18-58-38(53)26-10-9-15-44-28(26)13-14-40(6,55)39(54)64-34-33(63-37(52)25-11-12-30(51)45(8)16-25)36(62-24(5)50)42(19-59-21(2)47,43(27,65-29)41(34,7)56)35(61-23(4)49)32(31)60-22(3)48/h9-12,15-16,27,29,31-36,55-56H,13-14,17-19H2,1-8H3/t27-,29+,31+,32+,33+,34+,35+,36+,40-,41+,42-,43-/m0/s1 |
| SMILES |
C([C@@H]1[C@]23[C@]([C@@H]4OC(=O)[C@](CCc5c(cccn5)C(=O)OC[C@@H](O3)[C@@H]1[C@H]([C@H]([C@]2([C@@H]([C@@H]4OC(=O)c1cn(c(=O)cc1)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)(O)C)(C)O)OC(=O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Asp |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Maytenus emarginata | Ref. |
|
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