| 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 |
COc1cc(C(=O)OC2C3C(O)C45OC3(C)COC(=O)c3cccnc3C(C)C(C)C(=O)OC(C(OC(C)=O)C(OC(=O)c3ccccc3)C4(COC(=O)c3cccnc3)C2OC(=O)C(C)(C)OC(C)=O)C5(C)O)cc(OC)c1OC |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-His |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Catha edulis  | Ref. |
|
|
zoom in
| Organism | Catha edulis |
|---|
| Reference | Baxter,J.Chem.Soc.Perkin Trans.,1,(1979),2965 |
|---|
|
