input word = C00061533

Metabolite InformationStructural formula
Name Malvidin-3-O-(6-O-p-coumaryl)-glucoside
Formula C32H31ClO14
Mw 674.14023341
CAS RN 34693-53-3
C_ID C00061533
InChIKey YXKKDOWCOCDDEW-WRYSRGQJSA-N
InChICode InChI=1S/C32H30O14.ClH/c1-41-22-9-16(10-23(42-2)27(22)37)31-24(13-19-20(35)11-18(34)12-21(19)44-31)45-32-30(40)29(39)28(38)25(46-32)14-43-26(36)8-5-15-3-6-17(33)7-4-15;/h3-13,25,28-30,32,38-40H,14H2,1-2H3,(H3-,33,34,35,36,37);1H/t25-,28-,29+,30-,32-;/m1./s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)cc(OC)c1O.[Cl-]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
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