| Name |
Pelargonidin 3-(6''-ferulylsambubioside)-5-(6'''-malonylglucoside) |
| Formula |
C45H49O25 |
| Mw |
989.25629212 |
| CAS RN |
175738-00-8 |
| C_ID |
C00006781
, 
|
| InChIKey |
VVTNDZIJGOAFJM-FSJQZYMNNA-O |
| InChICode |
InChI=1S/C45H48O25/c1-61-27-10-18(2-8-23(27)48)3-9-32(52)62-16-30-36(56)38(58)42(70-43-39(59)34(54)24(49)15-64-43)45(69-30)67-28-13-22-25(65-41(28)19-4-6-20(46)7-5-19)11-21(47)12-26(22)66-44-40(60)37(57)35(55)29(68-44)17-63-33(53)14-31(50)51/h2-13,24,29-30,34-40,42-45,49,54-60H,14-17H2,1H3,(H3-,46,47,48,50,51,52)/p+1/t24-,29-,30-,34-,35-,36-,37+,38+,39-,40-,42-,43-,44-,45-/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/c1cc(c(cc1)O)OC)O)O)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)c1ccc(cc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Matthiola incana  | Ref. |
|
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