| Name |
Cyanidin 3-O-[2''-O-(xylosyl)-6''-O-(p-coumaroyl) glucoside] 5-O-malonylglucoside |
| Formula |
C44H47O25 |
| Mw |
975.24064206 |
| CAS RN |
|
| C_ID |
C00007657
, 
|
| InChIKey |
JKGXHHXZZLNEGD-NPJAEHQBNA-O |
| InChICode |
InChI=1S/C44H46O25/c45-19-5-1-17(2-6-19)3-8-31(52)61-15-29-35(56)37(58)41(69-42-38(59)33(54)24(49)14-63-42)44(68-29)66-27-12-21-25(64-40(27)18-4-7-22(47)23(48)9-18)10-20(46)11-26(21)65-43-39(60)36(57)34(55)28(67-43)16-62-32(53)13-30(50)51/h1-12,24,28-29,33-39,41-44,49,54-60H,13-16H2,(H4-,45,46,47,48,50,51,52)/p+1/t24-,28-,29-,33-,34-,35-,36-,37-,38-,39+,41+,42+,43-,44-/m1/s1 |
| SMILES |
O=C(O)CC(=O)OCC1O[C@@H](Oc2cc(O)cc3[o+]c(-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]4OC[C@@H](O)[C@@H](O)C4O)cc23)[C@@H](O)C(O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Arabidopsis thaliana | Ref. |
|
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