| Name |
Malvidin 3-caffeylrutinoside-5-glucoside |
| Formula |
C44H51O24 |
| Mw |
963.27702756 |
| CAS RN |
210050-05-8 |
| C_ID |
C00006914
, 
|
| InChIKey |
PSBBHDWWCNQZTN-UHFFFAOYNA-O |
| InChICode |
InChI=1S/C44H50O24/c1-16-40(68-30(49)7-5-17-4-6-21(47)22(48)8-17)36(55)39(58)42(62-16)61-15-29-33(52)35(54)38(57)44(67-29)65-27-13-20-23(63-41(27)18-9-25(59-2)31(50)26(10-18)60-3)11-19(46)12-24(20)64-43-37(56)34(53)32(51)28(14-45)66-43/h4-13,16,28-29,32-40,42-45,51-58H,14-15H2,1-3H3,(H3-,46,47,48,49,50)/p+1/t16-,28-,29-,32-,33-,34-,35+,36+,37+,38-,39-,40-,42+,43+,44+/m0/s1 |
| SMILES |
COc1cc(-c2[o+]c3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3cc2OC2OC(COC3OC(C)C(OC(=O)/C=C/c4ccc(O)c(O)c4)C(O)C3O)C(O)C(O)C2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Petunia x hybrida | Ref. |
|
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