| Name |
Cyanidin 3-O-[2-O-(6-O-E-caffeoyl-beta-D-glucopyanosyl)]-{6-O-[4-O-(6-O-E-3,5-dihydroxycinnamoyl-beta-D-glucopyranosyl)-E-caffeoyl]-beta-D-glucopyranosyl}-5-O-beta-D-glucopyranoside |
| Formula |
C66H69O35 |
| Mw |
1421.36193898 |
| CAS RN |
651731-54-3 |
| C_ID |
C00011108
, 
|
| InChIKey |
KSAPUZOIPBGBPL-PSEMRBJINA-O |
| InChICode |
InChI=1S/C66H68O35/c67-22-43-50(79)54(83)58(87)64(97-43)95-41-20-32(70)19-40-33(41)21-42(61(93-40)29-6-8-35(72)37(74)17-29)96-66-62(101-65-60(89)56(85)52(81)45(99-65)24-90-47(76)10-3-26-1-7-34(71)36(73)15-26)57(86)53(82)46(100-66)25-92-48(77)11-4-27-2-9-39(38(75)16-27)94-63-59(88)55(84)51(80)44(98-63)23-91-49(78)12-5-28-13-30(68)18-31(69)14-28/h1-21,43-46,50-60,62-67,79-89H,22-25H2,(H7-,68,69,70,71,72,73,74,75,76)/p+1/b11-4+,12-5+/t43-,44+,45-,46-,50+,51+,52+,53+,54-,55-,56-,57-,58+,59+,60+,62-,63+,64+,65-,66+/m0/s1 |
| SMILES |
O=C(/C=C/c1cc(O)cc(O)c1)OCC1O[C@@H](Oc2ccc(/C=C/C(=O)OCC3O[C@@H](Oc4cc5c(O[C@@H]6OC(CO)[C@@H](O)[C@H](O)C6O)cc(O)cc5[o+]c4-c4ccc(O)c(O)c4)C(O[C@@H]4OC(COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H](O)C(O)[C@H]4O)[C@@H](O)[C@@H]3O)cc2O)[C@H](O)C(O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea asarifolia  | Ref. |
|
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