| Name |
Cyanidin 3-[6-(6-sinapylglucosyl)-2-xylosylgalactoside] |
| Formula |
C43H49O24 |
| Mw |
949.2613775 |
| CAS RN |
88902-81-2 |
| C_ID |
C00006834
, 
|
| InChIKey |
LWQKGKRDBZVYNE-XKNUCIKBNA-O |
| InChICode |
InChI=1S/C43H48O24/c1-58-25-7-16(8-26(59-2)32(25)51)3-6-30(49)60-14-28-33(52)35(54)38(57)41(65-28)62-15-29-34(53)36(55)40(67-42-37(56)31(50)23(48)13-61-42)43(66-29)64-27-12-19-21(46)10-18(44)11-24(19)63-39(27)17-4-5-20(45)22(47)9-17/h3-12,23,28-29,31,33-38,40-43,48,50,52-57H,13-15H2,1-2H3,(H4-,44,45,46,47,49,51)/p+1/t23-,28-,29+,31-,33-,34+,35+,36+,37-,38+,40+,41-,42+,43-/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OCC2O[C@@H](OCC3O[C@@H](Oc4cc5c(O)cc(O)cc5[o+]c4-c4ccc(O)c(O)c4)C(O[C@@H]4OC[C@@H](O)C(O)[C@H]4O)C(O)[C@H]3O)C(O)[C@@H](O)[C@@H]2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
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| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Apium australe | Ref. |
| Plantae | Apiaceae | Apium graveolens  | Ref. |
| Plantae | Apiaceae | Artedia squamata | Ref. |
| Plantae | Apiaceae | Astrodaucus orientalis  | Ref. |
| Plantae | Apiaceae | Conium maculatum  | Ref. |
| Plantae | Apiaceae | Crithmum maritimum  | Ref. |
| Plantae | Apiaceae | Daucus carota  | Ref. |
| Plantae | Apiaceae | Daucus maximus | Ref. |
| Plantae | Apiaceae | Foeniculum vulgare  | Ref. |
| Plantae | Apiaceae | Oenanthe crocata  | Ref. |
| Plantae | Apiaceae | Torilis nodosa | Ref. |
| Plantae | Apiaceae | Yabea microcarpa | Ref. |
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zoom in
| Organism | Astrodaucus orientalis | | Reference | Harborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins
Harborne,Z.Naturforsch.C.,38,(1983),1055
Glassgen,Phytochem.,31,(1992),1593 |
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