| Name |
Peonidin 3-caffeylrutinoside-5-glucoside |
| Formula |
C43H49O23 |
| Mw |
933.26646288 |
| CAS RN |
704210-28-6 |
| C_ID |
C00006874
, 
|
| InChIKey |
SCVFLLBHUQLDKD-UHFFFAOYNA-O |
| InChICode |
InChI=1S/C43H48O23/c1-16-39(66-30(49)8-4-17-3-6-21(46)23(48)9-17)35(54)38(57)41(60-16)59-15-29-32(51)34(53)37(56)43(65-29)63-27-13-20-24(61-40(27)18-5-7-22(47)26(10-18)58-2)11-19(45)12-25(20)62-42-36(55)33(52)31(50)28(14-44)64-42/h3-13,16,28-29,31-39,41-44,50-57H,14-15H2,1-2H3,(H3-,45,46,47,48,49)/p+1/t16-,28+,29-,31+,32+,33+,34+,35-,36-,37+,38-,39+,41-,42-,43-/m1/s1 |
| SMILES |
c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)OC(=O)/C=C/c1ccc(c(c1)O)O)O)O)O)O)O)c1ccc(c(c1)OC)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea indivisa | Ref. |
| Plantae | Solanaceae | Petunia x hybrida | Ref. |
| Plantae | Solanaceae | Solanum tuberosum  | Ref. |
|
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