Mrv1652309052205062D 21 21 0 0 1 0 999 V2000 -2.3965 -2.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 -2.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9675 -2.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -2.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -1.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4614 -1.3187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1759 -1.7312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8904 -1.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8904 -0.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6048 -1.7312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4614 -0.4937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2819 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4654 0.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0489 1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8739 1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3883 0.6686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1926 0.8522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4358 1.6405 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.7538 0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5581 0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2047 -0.1357 0.0000 O 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 5 6 1 0 0 0 0 6 7 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 11 6 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 16 21 1 0 0 0 0 11 21 1 0 0 0 0 M END > NP0206738 > NP-MRD > CC[C@H](Br)[C@H]1CC=CC[C@H](O1)[C@H](C\C=C/C#C)OC(C)=O > InChI=1S/C17H23BrO3/c1-4-6-7-11-16(20-13(3)19)17-12-9-8-10-15(21-17)14(18)5-2/h1,6-9,14-17H,5,10-12H2,2-3H3/b7-6-/t14-,15+,16-,17-/m0/s1 > OELZRAJPVXSYFO-PPLLAWBQSA-N > C17H23BrO3 > 355.272 > 354.083058 > 2 > 44 > 34.07360630445798 > 1 > 0 > 0 > 1 > (1S,3Z)-1-[(2S,7R)-7-[(1S)-1-bromopropyl]-2,3,6,7-tetrahydrooxepin-2-yl]hex-3-en-5-yn-1-yl acetate > 3.8209296339999996 > 0 > 1 > 0 > -4.196138109528082 > 35.53 > 89.24989999999998 > 7 > 1 > (1S,3Z)-1-[(2S,7R)-7-[(1S)-1-bromopropyl]-2,3,6,7-tetrahydrooxepin-2-yl]hex-3-en-5-yn-1-yl acetate > 1 > NP0206738 > (1s,3z)-1-[(2s,7r)-7-[(1s)-1-bromopropyl]-2,3,6,7-tetrahydrooxepin-2-yl]hex-3-en-5-yn-1-yl acetate $$$$