input word = C00059910

Metabolite InformationStructural formula
Name Cyanidin 3-xylosyl(feruloylglucosyl)galactoside
Formula C42H47O23
Mw 919.25081281
CAS RN 142561-99-7
C_ID C00059910
InChIKey MUQNMJSHMPEZCV-JHCRVGSQSA-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 COc1cc(C=CC(=O)OCC2OC(OCC3OC(Oc4cc5c(O)cc(O)cc5[o+]c4-c4ccc(O)c(O)c4)C(OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeDaucus carota Ref.
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