| Name |
Cyanidin 3-(6''-caffeyl-6'''-ferulylsophoroside)-5-glucoside |
| Formula |
C52H55O27 |
| Mw |
1111.29307156 |
| CAS RN |
145815-06-1 |
| C_ID |
C00006850
, 
|
| InChIKey |
CSWCMIODPBATKN-BJEJFOHUNA-O |
| InChICode |
InChI=1S/C52H54O27/c1-70-33-13-22(3-8-28(33)57)5-11-39(61)71-19-36-41(63)44(66)47(69)51(77-36)79-49-45(67)42(64)37(20-72-38(60)10-4-21-2-7-26(55)29(58)12-21)78-52(49)75-34-17-25-31(73-48(34)23-6-9-27(56)30(59)14-23)15-24(54)16-32(25)74-50-46(68)43(65)40(62)35(18-53)76-50/h2-17,35-37,40-47,49-53,62-69H,18-20H2,1H3,(H5-,54,55,56,57,58,59,60,61)/p+1/t35-,36-,37-,40+,41+,42+,43-,44+,45+,46+,47+,49+,50+,51-,52+/m0/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(c(c1)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)COC(=O)/C=C/c1ccc(c(c1)OC)O)O)O)O)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 | Convolvulaceae | Ipomoea batatas  | Ref. |
| Plantae | Cruciferae | Raphanus sativus | Ref. |
|
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