Mrv1533005141521382D 16 16 0 0 0 0 999 V2000 0.5678 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0198 0.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1913 1.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 1.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 2.7532 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 3.5602 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3405 2.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9545 2.5817 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9803 -0.1553 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3297 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0059 -1.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1501 -0.7365 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0997 0.6294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 3 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 12 16 2 0 0 0 0 2 16 1 0 0 0 0 M CHG 3 8 -1 10 -1 15 -1 M END > NP0339795 > NP-MRD > CC1=C(CCOP([O-])([O-])=O)SC(=N1)C([O-])=O > InChI=1S/C7H10NO6PS/c1-4-5(2-3-14-15(11,12)13)16-6(8-4)7(9)10/h2-3H2,1H3,(H,9,10)(H2,11,12,13)/p-3 > XWECMAHAKFWYNV-UHFFFAOYSA-K > C7H7NO6PS > 264.17 > 263.974815861 > 6 > 23 > 21.512191855291338 > 1 > 0 > -3 > 1 > 4-methyl-5-[2-(phosphonatooxy)ethyl]-1,3-thiazole-2-carboxylate > 0.54 > 0.328721387 > -1.46 > 0 > 1 > -3 > 2.508641025028678 > 1.598778668774706 > -0.9733829570973754 > 125.44000000000001 > 63.523300000000006 > 5 > 1 > 1.09e+01 g/l > cthz-P > 0 > NP0339795 > 2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate $$$$