| Name |
Pelargonidin 3-(6'',2'''-diferulylsambubioside)-5-(6-malonylglucoside) |
| Formula |
C55H57O28 |
| Mw |
1165.30363624 |
| CAS RN |
175737-97-0 |
| C_ID |
C00006785
, 
|
| InChIKey |
BZIJPOUMDKYZSV-RHVFVNEENA-O |
| InChICode |
InChI=1S/C55H56O28/c1-72-35-15-24(3-11-30(35)58)5-13-41(63)74-22-39-46(68)48(70)52(83-54-51(44(66)32(60)21-76-54)82-42(64)14-6-25-4-12-31(59)36(16-25)73-2)55(81-39)79-37-19-29-33(77-50(37)26-7-9-27(56)10-8-26)17-28(57)18-34(29)78-53-49(71)47(69)45(67)38(80-53)23-75-43(65)20-40(61)62/h3-19,32,38-39,44-49,51-55,60,66-71H,20-23H2,1-2H3,(H4-,56,57,58,59,61,62,63,64)/p+1/t32-,38+,39-,44-,45-,46-,47+,48+,49+,51-,52-,53-,54-,55-/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(c(c1)OC)O)O)O)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)OC(=O)/C=C/c1cc(c(cc1)O)OC)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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