| Name |
Spinacetin 3-[O-2-O-E-feruloyl-beta-D-glucosyl-(1->6)-[apiosyl-(1->2)]-beta-D-glucoside] |
| Formula |
C44H50O25 |
| Mw |
978.26411715 |
| CAS RN |
195206-63-4 |
| C_ID |
C00060632
|
| InChIKey |
OWEXXLIDPNHERV-NWIMZWSJSA-N |
| InChICode |
InChI=1S/C44H50O25/c1-59-22-10-17(4-7-19(22)47)5-9-27(50)67-38-33(55)29(51)25(13-45)65-41(38)62-14-26-30(52)34(56)39(69-43-40(57)44(58,15-46)16-63-43)42(66-26)68-37-32(54)28-24(12-21(49)36(61-3)31(28)53)64-35(37)18-6-8-20(48)23(11-18)60-2/h4-12,25-26,29-30,33-34,38-43,45-49,51-53,55-58H,13-16H2,1-3H3/b9-5+/t25-,26-,29-,30-,33+,34+,38-,39-,40+,41-,42+,43+,44-/m1/s1 |
| SMILES |
COc1cc(C=CC(=O)OC2C(OCC3OC(Oc4c(-c5ccc(O)c(OC)c5)oc5cc(O)c(OC)c(O)c5c4=O)C(OC4OCC(O)(CO)C4O)C(O)C3O)OC(CO)C(O)C2O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Chenopodiaceae | Spinacia oleracea  | Ref. |
|
|
zoom in
| Organism | Spinacia oleracea |
|---|
| Reference | https://doi.org/10.1016/S0031-9422(97)00244-6 |
|---|
|
