input word = C00006907

Metabolite InformationStructural formula
Name Malvidin 3-(6''-acetylglucoside)-5-glucoside
Formula C31H37O18
Mw 697.19798938
CAS RN 164266-06-2
C_ID C00006907 ,
InChIKey CXOWDWWWNNFRII-JFNARRCFNA-O
InChICode InChI=1S/C31H36O18/c1-11(33)44-10-21-24(37)26(39)28(41)31(49-21)47-19-8-14-15(45-29(19)12-4-17(42-2)22(35)18(5-12)43-3)6-13(34)7-16(14)46-30-27(40)25(38)23(36)20(9-32)48-30/h4-8,20-21,23-28,30-32,36-41H,9-10H2,1-3H3,(H-,34,35)/p+1/t20-,21-,23+,24+,25+,26+,27-,28-,30-,31-/m1/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3cc2O[C@@H]2OC(COC(C)=O)[C@@H](O)C(O)C2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGeraniaceaeGeranium sylvaticum Ref.
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