| Name |
Cathedulin K 12
Catheduline K 12 |
| Formula |
C54H62N2O23 |
| Mw |
1106.37433631 |
| CAS RN |
68419-29-4 |
| C_ID |
C00013113
, 
|
| InChIKey |
AFJODGVFFQTKRS-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C54H62N2O23/c1-25-26(2)45(61)76-42-40(72-27(3)57)44(74-29(5)59)53(24-71-46(62)31-16-14-20-55-22-31)43(77-49(65)50(7,8)78-30(6)60)39(75-48(64)33-18-19-34(67-11)38(69-13)37(33)68-12)35-41(73-28(4)58)54(53,52(42,10)66)79-51(35,9)23-70-47(63)32-17-15-21-56-36(25)32/h14-22,25-26,35,39-44,66H,23-24H2,1-13H3/t25-,26-,35+,39+,40+,41-,42-,43+,44-,51+,52+,53-,54-/m1/s1 |
| SMILES |
[C@H]1([C@@H]2[C@@H]([C@@H]([C@]3([C@@]41[C@@]([C@@H]([C@@H]([C@H]3OC(=O)C)OC(=O)C)OC(=O)[C@H](C)[C@@H](C)c1ncccc1C(=O)OC[C@@]2(O4)C)(C)O)COC(=O)c1cnccc1)OC(=O)C(C)(C)OC(=O)C)OC(=O)c1ccc(c(c1OC)OC)OC)OC(=O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-His |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Catha edulis  | Ref. |
|
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