| Name |
Cyanidin 3-(caffeoylferuloylsophoroside) 5-glucoside
YGM 3 |
| Formula |
C52H55O27 |
| Mw |
1111.29307156 |
| CAS RN |
185044-13-7 |
| C_ID |
C00057989
|
| InChIKey |
CSWCMIODPBATKN-NELIWPSSSA-O |
| InChICode |
InChI=1S/C52H54O27/c1-70-33-13-22(3-8-28(33)57)5-11-39(61)71-19-36-41(63)44(66)47(69)51(77-36)79-49-45(67)42(64)37(20-72-38(60)10-4-21-2-7-26(55)29(58)12-21)78-52(49)75-34-17-25-31(73-48(34)23-6-9-27(56)30(59)14-23)15-24(54)16-32(25)74-50-46(68)43(65)40(62)35(18-53)76-50/h2-17,35-37,40-47,49-53,62-69H,18-20H2,1H3,(H5-,54,55,56,57,58,59,60,61)/p+1/t35-,36-,37-,40-,41-,42-,43+,44+,45+,46-,47-,49-,50-,51+,52-/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](O[C@H]3[C@H](Oc4cc5c(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc(O)cc5[o+]c4-c4ccc(O)c(O)c4)O[C@H](COC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea batatas  | Ref. |
| Plantae | Cruciferae | Raphanus sativus | Ref. |
|
|
zoom in
| Organism | Raphanus sativus |
|---|
| Reference | https://doi.org/10.1016/S0031-9422(02)00063-8 |
|---|
|
