input word = C00006871

Metabolite InformationStructural formula
Name Peonidin 3-ferulyldiglucoside-5-glucoside
Formula C44H51O24
Mw 963.27702756
CAS RN 144093-82-3
C_ID C00006871 ,
InChIKey YJBRZIKOXLESQY-SSKMXPPNNA-O
InChICode InChI=1S/C44H50O24/c1-59-25-9-17(3-6-21(25)48)4-8-31(50)61-16-30-34(53)37(56)41(68-43-39(58)36(55)33(52)29(15-46)66-43)44(67-30)64-27-13-20-23(62-40(27)18-5-7-22(49)26(10-18)60-2)11-19(47)12-24(20)63-42-38(57)35(54)32(51)28(14-45)65-42/h3-13,28-30,32-39,41-46,51-58H,14-16H2,1-2H3,(H2-,47,48,49,50)/p+1/t28-,29-,30-,32-,33-,34-,35+,36+,37+,38-,39-,41-,42-,43+,44-/m1/s1
SMILES COc1cc(/C=C/C(=O)OCC2O[C@@H](Oc3cc4c(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3ccc(O)c(OC)c3)C(O[C@@H]3OC(CO)[C@@H](O)C(O)[C@H]3O)C(O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea batatas Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
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OrganismIpomoea batatas
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Miyazaki,J.Japan Soc.Hort.Sci.,60,(1991),217