| Name |
Avenacin B1 |
| Formula |
C55H83NO20 |
| Mw |
1077.5508441 |
| CAS RN |
90547-92-5 |
| C_ID |
C00054178
|
| InChIKey |
YYSBRPJSMBHDDU-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C55H83NO20/c1-49(2)30-13-16-53(6)31(17-35-55(76-35)32-18-50(3,24-59)36(20-52(32,5)33(60)19-54(53,55)7)73-45(68)25-11-9-10-12-26(25)56-8)51(30,4)15-14-34(49)74-48-44(75-47-43(67)41(65)38(62)28(22-58)71-47)39(63)29(23-69-48)72-46-42(66)40(64)37(61)27(21-57)70-46/h9-12,24,27-44,46-48,56-58,60-67H,13-23H2,1-8H3 |
| SMILES |
CNc1ccccc1C(=O)OC1CC2(C)C(O)CC3(C)C4(C)CCC5C(C)(C)C(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CC4OC43C2CC1(C)C=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Poaceae | Avena sativa  | Ref. |
|
|
zoom in
| Organism | Avena sativa |
|---|
| Reference | Begley, M.J. et al., JCS Perkin 1, 1986, 1905
, 1917 (isol, struct) |
|---|
|
