| Name |
Pelargonidin 3-(6''-ferulyl-2'''-sinapylsambubioside)-5-(6-malonylglucoside) |
| Formula |
C56H59O29 |
| Mw |
1195.31420093 |
| CAS RN |
175737-98-1 |
| C_ID |
C00006786
, 
|
| InChIKey |
WSKHOVJTNDIIIP-DMOIHLCHNA-O |
| InChICode |
InChI=1S/C56H58O29/c1-73-34-14-24(4-11-30(34)59)5-12-41(63)76-22-39-47(69)49(71)53(85-55-52(44(66)31(60)21-78-55)84-42(64)13-6-25-15-35(74-2)45(67)36(16-25)75-3)56(83-39)81-37-19-29-32(79-51(37)26-7-9-27(57)10-8-26)17-28(58)18-33(29)80-54-50(72)48(70)46(68)38(82-54)23-77-43(65)20-40(61)62/h4-19,31,38-39,44,46-50,52-56,60,66,68-72H,20-23H2,1-3H3,(H4-,57,58,59,61,62,63,64,67)/p+1/t31-,38-,39+,44-,46+,47+,48-,49-,50+,52-,53+,54+,55-,56+/m0/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/c3cc(OC)c(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. |
|
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