| Name |
Avenacin A2 |
| Formula |
C54H80O21 |
| Mw |
1064.51920962 |
| CAS RN |
90547-91-4 |
| C_ID |
C00054177
|
| InChIKey |
WFOVENUXZAPSIJ-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C54H80O21/c1-48(23-57)17-31-50(3,19-35(48)72-44(67)25-10-8-7-9-11-25)32(59)18-53(6)52(5)15-12-29-49(2,30(52)16-34-54(31,53)75-34)14-13-33(51(29,4)24-58)73-47-43(74-46-42(66)40(64)37(61)27(21-56)70-46)38(62)28(22-68-47)71-45-41(65)39(63)36(60)26(20-55)69-45/h7-11,23,26-43,45-47,55-56,58-66H,12-22,24H2,1-6H3 |
| SMILES |
CC1(C=O)CC2C(C)(CC1OC(=O)c1ccccc1)C(O)CC1(C)C3(C)CCC4C(C)(CO)C(OC5OCC(OC6OC(CO)C(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CC3OC321 |
| 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) |
|---|
|
