| Name |
Cyanidin 3-[2-(6-p-coumarylglucosyl)-6-caffeoylglucoside]-5-glucoside |
| Formula |
C51H53O26 |
| Mw |
1081.28250687 |
| CAS RN |
611232-15-6 |
| C_ID |
C00014771
, 
|
| InChIKey |
XOWPCENJGHKMBA-SHCBIMKLNA-O |
| InChICode |
InChI=1S/C51H52O26/c52-18-34-39(61)42(64)45(67)49(74-34)72-32-16-25(54)15-31-26(32)17-33(47(71-31)23-6-10-28(56)30(58)14-23)73-51-48(44(66)41(63)36(76-51)20-70-38(60)12-5-22-3-9-27(55)29(57)13-22)77-50-46(68)43(65)40(62)35(75-50)19-69-37(59)11-4-21-1-7-24(53)8-2-21/h1-17,34-36,39-46,48-52,61-68H,18-20H2,(H5-,53,54,55,56,57,58,59,60)/p+1/t34-,35+,36-,39+,40+,41+,42-,43-,44-,45+,46+,48-,49+,50-,51+/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/c1cc(c(cc1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)c1cc(c(cc1)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 asarifolia  | Ref. |
|
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