| Name |
Pelargonidin 3-(6''-p-coumaryl-2'''-sinapylsambubioside)-5-glucoside |
| Formula |
C52H55O25 |
| Mw |
1079.30324231 |
| CAS RN |
175738-03-1 |
| C_ID |
C00006782
, 
|
| InChIKey |
ZKQFCYOZUXCXSM-BCUPQSTFNA-O |
| InChICode |
InChI=1S/C52H54O25/c1-67-33-15-24(16-34(68-2)41(33)61)6-14-39(59)76-48-40(60)30(57)21-70-51(48)77-49-45(65)43(63)37(22-69-38(58)13-5-23-3-9-26(54)10-4-23)75-52(49)73-35-19-29-31(71-47(35)25-7-11-27(55)12-8-25)17-28(56)18-32(29)72-50-46(66)44(64)42(62)36(20-53)74-50/h3-19,30,36-37,40,42-46,48-53,57,60,62-66H,20-22H2,1-2H3,(H3-,54,55,56,58,59,61)/p+1/t30-,36+,37+,40-,42-,43-,44+,45+,46-,48+,49-,50-,51-,52-/m1/s1 |
| SMILES |
c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O[C@@H]1[C@H]([C@@H]([C@@H](CO1)O)O)OC(=O)/C=C/c1cc(c(c(c1)OC)O)OC)c1ccc(cc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Matthiola incana  | Ref. |
|
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