Mrv1652309052218242D 20 19 0 0 0 0 999 V2000 -3.4322 0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7177 0.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0033 0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2888 0.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8546 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5691 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 3.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1414 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5704 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9993 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9993 1.3184 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 3 0 0 0 0 5 6 1 0 0 0 0 6 7 3 0 0 0 0 7 8 1 0 0 0 0 8 9 2 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 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 M END > NP0216436 > NP-MRD > C\C=C\C#CC#C\C=C\CCC(=O)CCOCC(C)C > InChI=1S/C18H24O2/c1-4-5-6-7-8-9-10-11-12-13-18(19)14-15-20-16-17(2)3/h4-5,10-11,17H,12-16H2,1-3H3/b5-4+,11-10+ > NWBBFKZMHPILQS-PMXBNEBOSA-N > C18H24O2 > 272.388 > 272.177630013 > 2 > 44 > 34.47750465897388 > 1 > 0 > 0 > 1 > (6E,12E)-1-(2-methylpropoxy)tetradeca-6,12-dien-8,10-diyn-3-one > 4.560698026333332 > 0 > 0 > 0 > 18.66019176022889 > -4.127264096117617 > 26.3 > 88.08370000000001 > 11 > 1 > (6E,12E)-1-(2-methylpropoxy)tetradeca-6,12-dien-8,10-diyn-3-one > 0 > NP0216436 > (6e,12e)-1-(2-methylpropoxy)tetradeca-6,12-dien-8,10-diyn-3-one $$$$