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#2;LIGUROSIDE-B;[(2E),(5E)]-7-HYDROPEROXY-3,7-DIMETHYL-2,5-OCTADIENYL-O-(ALPHA-L-RHAMNOPYRANOSYL)-(1''->3')-(4'''-O-CIS-PARA-COUMAROYL)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID Go0ZvLHLrVq
InChI InChI=1S/C31H44O14/c1-17(6-5-14-31(3,4)45-39)13-15-40-29-26(38)28(44-30-25(37)24(36)23(35)18(2)41-30)27(21(16-32)42-29)43-22(34)12-9-19-7-10-20(33)11-8-19/h5,7-14,18,21,23-30,32-33,35-39H,6,15-16H2,1-4H3/b12-9-,14-5+,17-13+/t18-,21-,23-,24+,25+,26-,27-,28-,29-,30-/m0/s1
InChIKey XPEISHOPZGSCBB-FBUDKRRVSA-N
Mol Weight 640.7 g/mol
Molecular Formula C31H44O14
Exact Mass 640.273106 g/mol
Enantiomer InChIKey XPEISHOPZGSCBB-HSQYCPAGSA-N
Unknown Identification

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