| Name |
Cyanidin 3-O-[2-O-(6-O-E-coumaroyl-beta-D-glucopyanosyl)]-{6-O-[4-O-(6-O-E-coumaroyl-beta-D-glucopyranosyl)-E-caffeoyl]-beta-D-glucopyranosyl}-5-O-beta-D-glucopyranoside |
| Formula |
C66H69O33 |
| Mw |
1389.37210974 |
| CAS RN |
651731-55-4 |
| C_ID |
C00011109
, 
|
| InChIKey |
DESIAOCLZCPBTI-WETPJEBSNA-O |
| InChICode |
InChI=1S/C66H68O33/c67-24-43-50(77)54(81)58(85)64(95-43)93-41-22-34(70)21-40-35(41)23-42(61(91-40)31-9-14-36(71)37(72)20-31)94-66-62(99-65-60(87)56(83)52(79)45(97-65)26-89-48(75)17-7-29-3-12-33(69)13-4-29)57(84)53(80)46(98-66)27-90-49(76)18-8-30-5-15-39(38(73)19-30)92-63-59(86)55(82)51(78)44(96-63)25-88-47(74)16-6-28-1-10-32(68)11-2-28/h1-23,43-46,50-60,62-67,77-87H,24-27H2,(H5-,68,69,70,71,72,73,74,75)/p+1/b18-8+/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/c1ccc(O)cc1)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)cc5)[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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