Mrv1533004161508192D 14 13 0 0 0 0 999 V2000 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1895 -2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 4 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 M END > NP0176936 > NP-MRD > CC=C(C)C(=O)OCC(C)(OO)C=C > InChI=1S/C10H16O4/c1-5-8(3)9(11)13-7-10(4,6-2)14-12/h5-6,12H,2,7H2,1,3-4H3 > DFLZEWKMJGFTBE-UHFFFAOYSA-N > C10H16O4 > 200.234 > 200.104858995 > 3 > 30 > 20.94513238216134 > 1 > 1 > 0 > 1 > 2-hydroperoxy-2-methylbut-3-en-1-yl 2-methylbut-2-enoate > 2.16 > 2.5251870930000004 > -1.91 > 0 > 0 > 0 > 11.689088341410496 > -4.246992759467063 > 55.760000000000005 > 53.2047 > 6 > 1 > 2.49e+00 g/l > 2-hydroperoxy-2-methylbut-3-en-1-yl 2-methylbut-2-enoate > 0 > NP0176936 > 2-hydroperoxy-2-methylbut-3-en-1-yl 2-methylbut-2-enoate $$$$