Mrv1652306202123033D 25 26 0 0 0 0 999 V2000 1.7645 1.1918 -3.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4114 -0.1748 -2.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9272 -0.5222 -1.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -1.9785 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7005 -2.7965 -2.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4587 -2.3779 -0.1749 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3362 -1.4654 0.9289 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1851 -0.2246 0.7304 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6466 0.4207 -0.5410 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8362 0.6531 -0.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4429 1.7670 -1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8316 2.5793 -1.8109 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 1.8255 -1.0264 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5539 -0.1105 0.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0418 -1.1445 1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6817 1.9707 -2.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 1.1932 -3.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1122 1.4611 -4.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5749 -0.9561 -3.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6996 -2.0029 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 0.4578 1.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2449 -0.4839 0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1709 1.3743 -0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0343 2.5915 -1.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6136 0.0068 0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 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 15 1 0 0 0 0 2 1 1 0 0 0 0 15 14 1 0 0 0 0 10 11 1 0 0 0 0 14 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 7 8 1 0 0 0 0 9 3 1 0 0 0 0 9 8 1 0 0 0 0 7 20 1 1 0 0 0 14 25 1 0 0 0 0 9 23 1 6 0 0 0 2 19 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 13 24 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 M END > NP0038346 > NP-MRD > [H]OC(=O)C1=C([H])O[C@@]2([H])OC(=O)\C(=C(/[H])C([H])([H])[H])[C@]1([H])C2([H])[H] > InChI=1S/C10H10O5/c1-2-5-6-3-8(15-10(5)13)14-4-7(6)9(11)12/h2,4,6,8H,3H2,1H3,(H,11,12)/b5-2+/t6-,8-/m0/s1 > HRQTURYIXBOKDA-JXKNXFGGSA-N > C10H10O5 > 210.185 > 210.052823422 > 4 > 25 > 19.234159740127957 > 1 > 1 > 0 > 1 > (1S,5S,6E)-6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid > 1.02 > 0.9761161729999999 > -1.11 > 0 > 2 > -1 > 4.361470365593737 > -4.926764977496145 > 72.83000000000001 > 49.761300000000006 > 1 > 1 > 1.64e+01 g/l > (1S,5S,6E)-6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid > 0 > NP0038346 > triohima C $$$$