Mrv1652304282205312D 18 18 0 0 1 0 999 V2000 -3.6037 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8501 -0.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9363 -0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7433 -1.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1558 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1356 0.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1356 1.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4211 -0.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7066 0.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 -0.1494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7223 0.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4368 -0.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4368 -0.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1512 0.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8657 -0.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5802 0.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8657 -0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 -0.9744 0.0000 C 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 1 5 2 0 0 0 0 2 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 10 18 1 1 0 0 0 M END > NP0058159 > NP-MRD > C[C@@H](CCC(=O)C1=COC=C1)CC(=O)C=C(C)C > InChI=1S/C15H20O3/c1-11(2)8-14(16)9-12(3)4-5-15(17)13-6-7-18-10-13/h6-8,10,12H,4-5,9H2,1-3H3/t12-/m0/s1 > TXLOBTVRMBXIAI-LBPRGKRZSA-N > C15H20O3 > 248.322 > 248.141244504 > 2 > 38 > 27.77327316958013 > 1 > 0 > 0 > 1 > (4S)-1-(furan-3-yl)-4,8-dimethylnon-7-ene-1,6-dione > 2.80 > 3.388072824333333 > -3.61 > 0 > 1 > 0 > 16.022398329502625 > -3.001191876925056 > 47.28 > 71.7724 > 7 > 1 > 6.15e-02 g/l > (4S)-1-(furan-3-yl)-4,8-dimethylnon-7-ene-1,6-dione > 0 > NP0058159 > (S)-(-)-10,11-Dehydrommyoporone $$$$