Mrv1652306202123033D 28 29 0 0 0 0 999 V2000 1.9928 -1.2326 -4.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0229 -0.2789 -3.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7211 -0.1276 -2.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -0.9915 -1.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8567 -2.0623 -1.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2504 -0.5310 0.2588 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4423 0.5921 0.6514 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3825 1.6486 -0.4335 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2433 0.9421 -1.6284 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5654 0.3391 -1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5882 0.1696 -2.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 0.5742 -3.4284 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6832 -0.4791 -1.8194 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6975 -0.6906 -2.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7882 0.0199 0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 0.1741 1.0708 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8512 -1.4469 -3.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4903 -2.1656 -4.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3955 -0.7891 -4.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5168 0.3628 -4.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9243 1.0211 1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2347 2.4990 -0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3846 2.0205 -0.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3909 1.6971 -2.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3143 -1.3055 -3.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0733 0.2666 -3.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5243 -1.2249 -2.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7133 -0.3864 0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 4 6 1 0 0 0 0 4 5 2 0 0 0 0 6 7 1 0 0 0 0 3 2 2 0 0 0 0 7 16 1 0 0 0 0 2 1 1 0 0 0 0 16 15 1 0 0 0 0 10 11 1 0 0 0 0 15 10 2 0 0 0 0 11 12 2 0 0 0 0 10 9 1 0 0 0 0 11 13 1 0 0 0 0 9 3 1 0 0 0 0 13 14 1 0 0 0 0 7 8 1 0 0 0 0 3 4 1 0 0 0 0 9 8 1 0 0 0 0 7 21 1 1 0 0 0 15 28 1 0 0 0 0 9 24 1 6 0 0 0 2 20 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 M END > NP0038344 > NP-MRD > [H]\C(=C1\C(=O)O[C@]2([H])OC([H])=C(C(=O)OC([H])([H])[H])[C@@]1([H])C2([H])[H])C([H])([H])[H] > InChI=1S/C11H12O5/c1-3-6-7-4-9(16-11(6)13)15-5-8(7)10(12)14-2/h3,5,7,9H,4H2,1-2H3/b6-3-/t7-,9-/m0/s1 > OZAAZKVZLIUCSD-NKUNFKNKSA-N > C11H12O5 > 224.212 > 224.068473486 > 3 > 28 > 21.446381232514504 > 1 > 0 > 0 > 1 > methyl (1S,5S,6Z)-6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylate > 0.97 > 1.3553435623333332 > -1.48 > 0 > 2 > 0 > -4.922922201441584 > 61.83000000000001 > 54.530400000000014 > 2 > 1 > 7.34e+00 g/l > methyl (1S,5S,6Z)-6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylate > 0 > NP0038344 > triohima A $$$$