John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9f2NDz3CMqu

(accessed ).
PELARGONIDIN-3-O-(6-O-CAFFEOYL-BETA-D-GLUCOPYRANOSIDE)-5-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSIDE)
SpectraBase Compound ID 9f2NDz3CMqu
InChI InChI=1S/C39H38O21/c40-18-5-3-17(4-6-18)37-25(58-39-36(53)34(51)31(48)26(60-39)14-54-29(46)8-2-16-1-7-21(42)22(43)9-16)12-20-23(56-37)10-19(41)11-24(20)57-38-35(52)33(50)32(49)27(59-38)15-55-30(47)13-28(44)45/h1-12,26-27,31-36,38-39,48-53H,13-15H2,(H4-,40,41,42,43,44,45,46)/p+1/t26-,27-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1
InChIKey HWGACSBPJIKSNP-KMKFZPLVSA-O
Mol Weight 843.7 g/mol
Molecular Formula C39H39O21
Exact Mass 843.198384 g/mol
Enantiomer InChIKey HWGACSBPJIKSNP-JPBGGQQDSA-O
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