| Name |
Cyanidin 3-O-[2''-O-(2'''-O-(sinapoyl) xylosyl) 6''-O-(p-coumaroyl) glucoside] 5-O-glucoside |
| Formula |
C52H55O26 |
| Mw |
1095.29815693 |
| CAS RN |
|
| C_ID |
C00007660
, 
|
| InChIKey |
ABJDYMVXHLYTHZ-SBEPHZBZNA-O |
| InChICode |
InChI=1S/C52H54O26/c1-68-33-13-23(14-34(69-2)41(33)62)6-12-39(60)77-48-40(61)30(58)20-71-51(48)78-49-45(66)43(64)37(21-70-38(59)11-5-22-3-8-25(54)9-4-22)76-52(49)74-35-18-27-31(72-47(35)24-7-10-28(56)29(57)15-24)16-26(55)17-32(27)73-50-46(67)44(65)42(63)36(19-53)75-50/h3-18,30,36-37,40,42-46,48-53,58,61,63-67H,19-21H2,1-2H3,(H4-,54,55,56,57,59,60,62)/p+1/t30-,36+,37+,40-,42+,43+,44+,45-,46-,48-,49-,50+,51-,52+/m0/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OC2[C@H](O[C@H]3C(O)[C@H](O)C(COC(=O)/C=C/c4ccc(O)cc4)O[C@H]3Oc3cc4c(O[C@@H]5OC(CO)[C@@H](O)C(O)[C@@H]5O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)OC[C@@H](O)[C@H]2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Arabidopsis thaliana | Ref. |
|
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