input word = C00006834

Metabolite InformationStructural formula
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)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium australe Ref.
PlantaeApiaceaeApium graveolens Ref.
PlantaeApiaceaeArtedia squamata Ref.
PlantaeApiaceaeAstrodaucus orientalis Ref.
PlantaeApiaceaeConium maculatum Ref.
PlantaeApiaceaeCrithmum maritimum Ref.
PlantaeApiaceaeDaucus carota Ref.
PlantaeApiaceaeDaucus maximus Ref.
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeApiaceaeOenanthe crocata Ref.
PlantaeApiaceaeTorilis nodosa Ref.
PlantaeApiaceaeYabea microcarpa Ref.
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OrganismTorilis nodosa
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Harborne,Z.Naturforsch.C.,38,(1983),1055

Glassgen,Phytochem.,31,(1992),1593