| Name |
Cathedulin K 1
Catheduline K 1 |
| Formula |
C42H53NO20 |
| Mw |
891.31609314 |
| CAS RN |
68423-03-0 |
| C_ID |
C00013110
, 
|
| InChIKey |
IMTNQTDZOGWHGC-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C42H53NO20/c1-18-19(2)35(50)60-32-30(57-22(5)46)34(59-24(7)48)41(17-54-20(3)44)33(61-37(52)38(9,10)62-25(8)49)29(56-21(4)45)27-31(58-23(6)47)42(41,40(32,12)53)63-39(27,11)16-55-36(51)26-14-13-15-43-28(18)26/h13-15,18-19,27,29-34,53H,16-17H2,1-12H3/t18-,19-,27+,29-,30+,31+,32-,33+,34-,39+,40+,41+,42-/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)C)OC(=O)C(C)(C)OC(=O)C)OC(=O)C)OC(=O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Asp L-His |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Catha edulis  | Ref. |
|
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