| Name |
Aquifoliunine E-III |
| Formula |
C36H45NO17 |
| Mw |
763.26874902 |
| CAS RN |
220751-20-2 |
| C_ID |
C00027889
, 
|
| InChIKey |
NLOQRURWORDOGK-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,25-30,43,46H,13-14H2,1-9H3/t15-,16-,23-,25-,26-,27-,28-,29-,30+,33-,34+,35-,36+/m0/s1 |
| SMILES |
O(C(=O)C)[C@H]1[C@H]2[C@@]3(COC(=O)c4c(nccc4)[C@H]([C@@H](C(=O)O[C@H]4[C@@H]([C@H]([C@]([C@H]([C@H]2O)OC(=O)C)([C@]1(O3)[C@]4(C)O)COC(=O)C)OC(=O)C)OC(=O)C)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Asp L-His |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Maytenus aquifolium | Ref. |
|
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