| Name |
Pelargonidin 3-(6''-p-coumarylsambubioside)-5-(6'''-malonylglucoside) |
| Formula |
C44H47O24 |
| Mw |
959.24572743 |
| CAS RN |
175738-01-9 |
| C_ID |
C00006780
, 
|
| InChIKey |
XAXWFBFMOAEBBT-CSKZOLHRNA-O |
| InChICode |
InChI=1S/C44H46O24/c45-20-6-1-18(2-7-20)3-10-31(51)60-16-29-35(55)37(57)41(68-42-38(58)33(53)24(48)15-62-42)44(67-29)65-27-13-23-25(63-40(27)19-4-8-21(46)9-5-19)11-22(47)12-26(23)64-43-39(59)36(56)34(54)28(66-43)17-61-32(52)14-30(49)50/h1-13,24,28-29,33-39,41-44,48,53-59H,14-17H2,(H3-,45,46,47,49,50,51)/p+1/t24-,28+,29+,33-,34+,35+,36-,37-,38-,39+,41+,42-,43+,44+/m0/s1 |
| SMILES |
O=C(O)CC(=O)OCC1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)cc4)c(O[C@@H]4OC(COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)C(O)C4O[C@@H]4OC[C@@H](O)C(O)[C@H]4O)cc23)C(O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Matthiola incana  | Ref. |
|
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