| Name |
Bicornin |
| Formula |
C48H32O30 |
| Mw |
1088.09783969 |
| CAS RN |
124854-12-2 |
| C_ID |
C00055531
|
| InChIKey |
DOTJYWQAPHIAIF-ATLYOFKDSA-N |
| InChICode |
InChI=1S/C48H32O30/c49-17-1-11(2-18(50)29(17)58)42(65)76-40-38-26(72-48(78-44(67)13-5-21(53)31(60)22(54)6-13)41(40)77-43(66)12-3-19(51)30(59)20(52)4-12)10-71-45(68)16-9-23(55)32(61)35(64)36(16)73-37-25(57)8-14-27(34(37)63)28-15(47(70)74-38)7-24(56)33(62)39(28)75-46(14)69/h1-9,26,38,40-41,48-64H,10H2/t26-,38-,40+,41-,48+/m1/s1 |
| SMILES |
O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3Oc3c(O)cc4c(=O)oc5c(O)c(O)cc(c5c4c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Lythraceae | Trapa bicornis  | Ref. |
|
|
zoom in
| Organism | Trapa bicornis |
|---|
| Reference | Yoshida, T. et al., Chem. Pharm. Bull., 1989, 37, 2655 (struct, pmr, cmr) |
|---|
|
