| Name |
Cyanidin 3-(6''-p-coumaryl-2''-sinapylsophoroside)-5-glucoside |
| Formula |
C53H57O27 |
| Mw |
1125.30872162 |
| CAS RN |
117894-45-8,119722-79-1,110219-77-7 |
| C_ID |
C00006851
, 
|
| InChIKey |
ONNRUPQNEBXWOW-UHFFFAOYNA-O |
| InChICode |
InChI=1S/C53H56O27/c1-70-32-13-23(14-33(71-2)40(32)62)6-12-39(61)79-49-45(67)42(64)36(20-55)77-53(49)80-50-46(68)43(65)37(21-72-38(60)11-5-22-3-8-25(56)9-4-22)78-52(50)75-34-18-27-30(73-48(34)24-7-10-28(58)29(59)15-24)16-26(57)17-31(27)74-51-47(69)44(66)41(63)35(19-54)76-51/h3-18,35-37,41-47,49-55,63-69H,19-21H2,1-2H3,(H4-,56,57,58,59,60,61,62)/p+1/t35-,36+,37-,41-,42-,43-,44+,45+,46-,47+,49-,50-,51-,52-,53+/m1/s1 |
| SMILES |
c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)OC(=O)/C=C/c1cc(c(c(c1)OC)O)OC)c1ccc(c(c1)O)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 | Cruciferae | Brassica oleracea  | Ref. |
|
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