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KHELLININ, DIHYDRATE
SpectraBase Compound ID 1omXlMQWl2p
InChI InChI=1S/C19H20O10.2H2O/c1-25-18-9-2-3-26-11(9)5-12-14(18)10(21)4-8(28-12)7-27-19-17(24)16(23)15(22)13(6-20)29-19;;/h2-5,13,15-17,19-20,22-24H,6-7H2,1H3;2*1H2/t13-,15-,16+,17-,19?;;/m1../s1
InChIKey FODCKWMUEYDSGU-ZPRXUVESSA-N
Mol Weight 444.389 g/mol
Molecular Formula C19H24O12
Exact Mass 444.126776 g/mol
Enantiomer InChIKey FODCKWMUEYDSGU-TVPGZEBDSA-N
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