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NEWBOULDIOSIDE-B-SODIUM-SALT
SpectraBase Compound ID KHbHRztJrAO
InChI InChI=1S/C44H54O23.Na/c1-20-32(49)35(52)36(53)41(64-20)66-37-34(51)30(17-61-31(48)10-7-21-6-9-25(46)27(14-21)57-2)65-42(60-12-11-22-5-8-24(45)26(47)13-22)38(37)67-43-39(54)44(56,19-63-43)18-62-40(55)23-15-28(58-3)33(50)29(16-23)59-4;/h5-10,13-16,20,30,32,34-39,41-43,45-47,49-54,56H,11-12,17-19H2,1-4H3;/q;+1/p-1/b10-7+;/t20-,30+,32-,34+,35+,36+,37-,38+,39+,41-,42+,43+,44-;/m1./s1
InChIKey IFXUUWLUHDMYIZ-DPFKIDKDSA-M
Mol Weight 972.9 g/mol
Molecular Formula C44H53NaO23
Exact Mass 972.287532 g/mol
Parent InChIKey CPPAFPJVCLADDF-RSFYDZRBSA-M
Enantiomer InChIKey IFXUUWLUHDMYIZ-OXRLPLDUSA-M
Unknown Identification

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