Mrv1652309092205502D 14 13 0 0 1 0 999 V2000 3.9039 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3316 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6184 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 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 7 9 2 0 0 0 0 9 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > NP0278716 > NP-MRD > C\C=C(\C)C(=O)OCC(=C)[C@H](C)OO > InChI=1S/C10H16O4/c1-5-7(2)10(11)13-6-8(3)9(4)14-12/h5,9,12H,3,6H2,1-2,4H3/b7-5-/t9-/m0/s1 > AMMCEABUWWJLGZ-PGBBXKAQSA-N > C10H16O4 > 200.234 > 200.104858995 > 3 > 30 > 21.278532039426814 > 1 > 1 > 0 > 1 > (3S)-3-hydroperoxy-2-methylidenebutyl (2Z)-2-methylbut-2-enoate > 2.2541105063333333 > 0 > 0 > 0 > 11.712143246215884 > -4.236908544105188 > 55.760000000000005 > 53.0795 > 6 > 1 > (3S)-3-hydroperoxy-2-methylidenebutyl (2Z)-2-methylbut-2-enoate > 0 > NP0278716 > (3s)-3-hydroperoxy-2-methylidenebutyl (2z)-2-methylbut-2-enoate $$$$