input word = C00014829

Metabolite InformationStructural formula
Name Malvidin 3-O-(6-O-(4-O-feruloyl-alpha-rhamnopyranosyl)-beta-glucopyranoside)-5-beta-glucopyranoside
Formula C45H53O24
Mw 977.29267763
CAS RN 303115-58-4
C_ID C00014829 ,
InChIKey VEUBIJCEGPLGKZ-WHYYUEKUNA-O
InChICode InChI=1S/C45H52O24/c1-17-41(69-31(49)8-6-18-5-7-22(48)25(9-18)59-2)37(55)40(58)43(63-17)62-16-30-34(52)36(54)39(57)45(68-30)66-28-14-21-23(64-42(28)19-10-26(60-3)32(50)27(11-19)61-4)12-20(47)13-24(21)65-44-38(56)35(53)33(51)29(15-46)67-44/h5-14,17,29-30,33-41,43-46,51-58H,15-16H2,1-4H3,(H2-,47,48,49,50)/p+1/t17-,29+,30+,33-,34-,35-,36+,37-,38+,39+,40-,41-,43+,44+,45+/m0/s1
SMILES COc1cc(/C=C/C(=O)O[C@H]2C(C)O[C@@H](OC[C@H]3O[C@@H](Oc4cc5c(O[C@@H]6OC(CO)[C@@H](O)[C@H](O)C6O)cc(O)cc5[o+]c4-c4cc(OC)c(O)c(OC)c4)C(O)C(O)[C@@H]3O)[C@@H](O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum tuberosum Ref.
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