Mrv1652309122212382D 19 20 0 0 1 0 999 V2000 -3.2842 -0.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6297 -0.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9752 0.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 0.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5585 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2037 0.3331 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2037 -0.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7871 -1.0753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5381 -0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7871 0.9165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6121 0.9165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1955 0.3331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9577 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0654 1.4668 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.6122 0.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3744 0.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1955 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6121 -1.0753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9278 -1.8375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 10 9 1 6 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 8 18 1 0 0 0 0 18 19 1 6 0 0 0 M END > NP0327762 > NP-MRD > CCC(Br)[C@H]1C[C@H](Br)[C@@H]2C[C@H](O1)[C@H](C\C=C\C#C)O2 > InChI=1S/C15H20Br2O2/c1-3-5-6-7-12-15-9-14(18-12)11(17)8-13(19-15)10(16)4-2/h1,5-6,10-15H,4,7-9H2,2H3/b6-5+/t10?,11-,12-,13+,14-,15-/m0/s1 > ZZAINMHCOZIURO-IFSZDIQLSA-N > C15H20Br2O2 > 392.131 > 389.983006 > 2 > 39 > 34.055905007145455 > 1 > 0 > 0 > 1 > (1S,3R,5S,6S,8S)-5-bromo-3-(1-bromopropyl)-8-[(2E)-pent-2-en-4-yn-1-yl]-2,7-dioxabicyclo[4.2.1]nonane > 3.8363064253333334 > 0 > 2 > 0 > -3.8931754669518246 > 18.46 > 84.44999999999999 > 4 > 1 > (1S,3R,5S,6S,8S)-5-bromo-3-(1-bromopropyl)-8-[(2E)-pent-2-en-4-yn-1-yl]-2,7-dioxabicyclo[4.2.1]nonane > 1 > NP0327762 > (1s,3r,5s,6s,8s)-5-bromo-3-(1-bromopropyl)-8-[(2e)-pent-2-en-4-yn-1-yl]-2,7-dioxabicyclo[4.2.1]nonane $$$$