| Name |
Cyanidin 3-O-[2''-O-(xylosyl) 6''-O-(p-O-(glucosyl) p-coumaroyl) glucoside] 5-O-[6'''-O-(malonyl) glucoside] |
| Formula |
C50H57O30 |
| Mw |
1137.29346549 |
| CAS RN |
|
| C_ID |
C00007659
, 
|
| InChIKey |
NXTHTMNXJOEVLR-UYENBVTENA-O |
| InChICode |
InChI=1S/C50H56O30/c51-14-29-36(61)39(64)43(68)48(77-29)73-21-5-1-18(2-6-21)3-8-33(58)70-16-31-38(63)41(66)46(80-47-42(67)35(60)25(55)15-72-47)50(79-31)76-28-12-22-26(74-45(28)19-4-7-23(53)24(54)9-19)10-20(52)11-27(22)75-49-44(69)40(65)37(62)30(78-49)17-71-34(59)13-32(56)57/h1-12,25,29-31,35-44,46-51,55,60-69H,13-17H2,(H3-,52,53,54,56,57)/p+1/b8-3+/t25-,29+,30+,31-,35-,36-,37-,38-,39+,40-,41-,42-,43+,44+,46+,47-,48-,49-,50-/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[C@@H]6OC(CO)[C@@H](O)C(O)[C@@H]6O)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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