Mrv1652309022213062D 18 17 0 0 1 0 999 V2000 -7.3362 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6217 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9072 -0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1927 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4783 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7638 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0493 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3349 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6204 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9059 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5230 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 -0.1105 0.0000 O 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 2 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 1 6 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 16 18 2 0 0 0 0 M END > NP0154323 > NP-MRD > CC#CC#CC#C\C=C\C=C\[C@H](O)COC(C)=O > InChI=1S/C15H14O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)13-18-14(2)16/h9-12,15,17H,13H2,1-2H3/b10-9+,12-11+/t15-/m0/s1 > WPXNKSSBPIWBOL-VUHATZBZSA-N > C15H14O3 > 242.274 > 242.094294311 > 2 > 32 > 28.332132757604747 > 1 > 1 > 0 > 1 > (2S,3E,5E)-2-hydroxytrideca-3,5-dien-7,9,11-triyn-1-yl acetate > 3.22 > 2.358845875 > -4.21 > 0 > 0 > 0 > 14.064566047804128 > -3.2079588106904735 > 46.53 > 74.22030000000001 > 8 > 1 > 1.49e-02 g/l > (2S,3E,5E)-2-hydroxytrideca-3,5-dien-7,9,11-triyn-1-yl acetate > 0 > NP0154323 > (2s,3e,5e)-2-hydroxytrideca-3,5-dien-7,9,11-triyn-1-yl acetate $$$$