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PTILOSAPONOSIDE_A
SpectraBase Compound ID BnTUlyc2bUj
InChI InChI=1S/C27H44O14S2.2Na/c1-3-14-4-6-16-15-5-7-18-23(39-25-22(31)24(41-43(35,36)37)21(30)20(12-28)38-25)19(40-42(32,33)34)9-11-27(18,13-29)17(15)8-10-26(14,16)2;;/h3,14-25,28-31H,1,4-13H2,2H3,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2/t14-,15-,16-,17-,18-,19-,20+,21+,22+,23+,24-,25-,26+,27-;;/m0../s1
InChIKey YVQSEXGAGYGJPB-FFNQGZBHSA-L
Mol Weight 700.71853856 g/mol
Molecular Formula C27H42Na2O14S2
Exact Mass 700.181137 g/mol
Parent InChIKey WUJFWRYOPRJJBL-YFWYBDIGSA-L
Enantiomer InChIKey YVQSEXGAGYGJPB-WAHAEYFTSA-L
Unknown Identification

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