input word = C00006833

Metabolite InformationStructural formula
Name Cyanidin 3-[6-(6-ferulylglucosyl)-2-xylosylgalactoside]
Formula C42H47O23
Mw 919.25081281
CAS RN 59942-72-2
C_ID C00006833 ,
InChIKey MUQNMJSHMPEZCV-DUQJEKCENA-O
InChICode InChI=1S/C42H46O23/c1-57-26-8-16(2-5-21(26)45)3-7-30(49)58-14-28-32(51)34(53)37(56)40(63-28)60-15-29-33(52)35(54)39(65-41-36(55)31(50)24(48)13-59-41)42(64-29)62-27-12-19-22(46)10-18(43)11-25(19)61-38(27)17-4-6-20(44)23(47)9-17/h2-12,24,28-29,31-37,39-42,48,50-56H,13-15H2,1H3,(H4-,43,44,45,46,47,49)/p+1/t24-,28-,29-,31-,32-,33+,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)OC)O)O)O)O)O)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAnthriscus sylvestris Ref.
PlantaeApiaceaeApium spp. Ref.
PlantaeApiaceaeAstrodaucus orientalis Ref.
PlantaeApiaceaeConium maculatum Ref.
PlantaeApiaceaeDaucus carota Ref.
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeApiaceaeOenanthe crocata Ref.
PlantaeApiaceaeTorilis spp. Ref.
PlantaeApiaceaeYabea microcarpa Ref.
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OrganismTorilis spp.
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Harborne,Biochem.Syst.Ecol.,4,(1976),31

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