Mrv1652309042216472D 14 14 0 0 1 0 999 V2000 -1.1908 9.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1908 8.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 7.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 7.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 6.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 5.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 4.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 3.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 2.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2382 1.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2382 0.8888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6507 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1743 0.1743 0.0000 O 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 3 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 12 11 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 14 1 0 0 0 0 M END > NP0196669 > NP-MRD > C\C=C\C#CC#CC#C\C=C\[C@@H]1CO1 > InChI=1S/C13H10O/c1-2-3-4-5-6-7-8-9-10-11-13-12-14-13/h2-3,10-11,13H,12H2,1H3/b3-2+,11-10+/t13-/m1/s1 > POQSPBWTSFABAV-DXFRQSKKSA-N > C13H10O > 182.222 > 182.073164942 > 1 > 24 > 22.15943855788247 > 1 > 0 > 0 > 1 > (2R)-2-[(1E,9E)-undeca-1,9-dien-3,5,7-triyn-1-yl]oxirane > 3.079424037 > 0 > 1 > 0 > -4.208775868449674 > 12.53 > 61.55870000000001 > 5 > 1 > (2R)-2-[(1E,9E)-undeca-1,9-dien-3,5,7-triyn-1-yl]oxirane > 1 > NP0196669 > (2r)-2-[(1e,9e)-undeca-1,9-dien-3,5,7-triyn-1-yl]oxirane $$$$