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4-{{O-beta-D-Glucopyranosyl-(1->4)-O-2-O-benzoyl-1-O-(1,4-phenylenecarbonyl)-beta-D-glucopyranosyl-(1->6)-O-[beta-D-glucopyranosyl-(1->4)]-2-O-benzoyl-beta-D-glucopyranosyl}oxy}benzoic AcidCyclic Inner Ester
SpectraBase Compound ID B5Roza2FEM0
InChI InChI=1S/C52H56O26/c53-19-29-33(55)35(57)37(59)49(71-29)77-41-31-21-67-45(63)26-13-17-28(18-14-26)70-52-44(76-48(66)24-9-5-2-6-10-24)40(62)42(78-50-38(60)36(58)34(56)30(20-54)72-50)32(74-52)22-68-46(64)25-11-15-27(16-12-25)69-51(73-31)43(39(41)61)75-47(65)23-7-3-1-4-8-23/h1-18,29-44,49-62H,19-22H2/t29-,30-,31-,32-,33-,34-,35+,36+,37-,38-,39+,40+,41-,42-,43-,44-,49+,50+,51-,52-/m1/s1
InChIKey SFSKZGVXVQCIFB-OWFJVLGUSA-N
Mol Weight 1097.0 g/mol
Molecular Formula C52H56O26
Exact Mass 1096.305982 g/mol
Enantiomer InChIKey SFSKZGVXVQCIFB-SIBXIVJJSA-N
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