Mrv1652309092212532D 21 21 0 0 0 0 999 V2000 -6.4302 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 3 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 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 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 19 20 1 0 0 0 0 20 21 1 0 0 0 0 16 21 1 0 0 0 0 M END > NP0283572 > NP-MRD > CC#CC#CC#CCC\C=C\C=C\C(=O)N1CCCCC1 > InChI=1S/C19H21NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19(21)20-17-14-12-15-18-20/h10-11,13,16H,8-9,12,14-15,17-18H2,1H3/b11-10+,16-13+ > ATLZTZPDWRYMJQ-QDTXCPDVSA-N > C19H21NO > 279.383 > 279.1623143 > 1 > 42 > 34.60592938352077 > 1 > 0 > 0 > 1 > (2E,4E)-1-(piperidin-1-yl)tetradeca-2,4-dien-8,10,12-triyn-1-one > 4.248242924000001 > 0 > 1 > 0 > -0.1314667452432784 > 20.310000000000002 > 91.93329999999997 > 7 > 1 > (2E,4E)-1-(piperidin-1-yl)tetradeca-2,4-dien-8,10,12-triyn-1-one > 1 > NP0283572 > (2e,4e)-1-(piperidin-1-yl)tetradeca-2,4-dien-8,10,12-triyn-1-one $$$$