| Name |
Cathedulin E6 |
| Formula |
C57H62N2O22 |
| Mw |
1126.37942168 |
| CAS RN |
61230-23-7 |
| C_ID |
C00013109
, 
|
| InChIKey |
MMEISTQQWMKZBJ-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C57H62N2O22/c1-28-29(2)47(63)77-44-42(75-30(3)60)46(78-49(65)32-17-13-12-14-18-32)56(27-74-48(64)33-19-15-21-58-25-33)45(79-52(68)53(5,6)80-31(4)61)41(76-50(66)34-23-36(70-9)40(72-11)37(24-34)71-10)38-43(62)57(56,55(44,8)69)81-54(38,7)26-73-51(67)35-20-16-22-59-39(28)35/h12-25,28-29,38,41-46,62,69H,26-27H2,1-11H3/t28-,29-,38-,41+,42-,43-,44+,45-,46+,54+,55+,56-,57+/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)c1ccccc1)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)c1cc(c(c(c1)OC)OC)OC)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-His |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Catha edulis  | Ref. |
|
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