"0.62" . "ALOGPS" . "226.023454332" . "4" . "InChI=1S/C54H92O23/c1-22(2)10-9-13-54(8,77-49-45(69)41(65)38(62)31(74-49)21-70-47-43(67)39(63)35(59)28(18-55)71-47)25-12-15-53(7)34(25)27(58)17-26-33-23(3)16-32(51(4,5)24(33)11-14-52(26,53)6)75-50-46(42(66)37(61)30(20-57)73-50)76-48-44(68)40(64)36(60)29(19-56)72-48/h10,23-50,55-69H,9,11-21H2,1-8H3/t23-,24-,25+,26-,27-,28-,29-,30-,31-,32+,33?,34+,35-,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,47-,48+,49+,50+,52-,53-,54+/m1/s1" . "1.21" . "3.89e-02 g/l" . "C8H10O" . "0" . "InChIKey=IAVUPMFITXYVAF-XPUUQOCRSA-N" . "N[C@@H](CCC\\N=C(/N)S)C(O)=O" . "ChemAxon" . "1" . "InChIKey=VRWJZGHUCOFGPZ-UHFFFAOYSA-N" .