| 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 |
COc1cc(/C=C/C(=O)OCC2O[C@@H](Oc3cc4c(O[C@@H]5OC(COC(=O)CC(=O)O)[C@@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3ccc(O)cc3)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)C3OC(=O)/C=C/c3ccc(O)c(OC)c3)C(O)[C@@H]2O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Matthiola incana  | Ref. |
|
|
zoom in
|
