Mol:LBGPIpkk:p:16000HO12:16000BC12 2
50 48 0 0 0 0 0 0 0 0999 V2000 -4.6597 -2.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6597 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6597 2.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4129 2.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4129 -0.4031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1662 2.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5822 2.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9985 2.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4145 2.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1694 2.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7533 2.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3373 2.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 2.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 2.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 2.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6728 2.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2567 2.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8447 2.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4244 2.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0084 2.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7501 2.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5241 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9402 0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3563 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2275 0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8114 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3954 0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9793 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5632 0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7309 0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3149 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8988 0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4827 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0665 0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5241 -1.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8114 -1.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 -1.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4827 -1.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8379 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5822 1.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7533 1.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 1.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4244 1.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5147 -2.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6899 -2.6680 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 -1.5241 0.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0665 -0.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 2 3 1 0 3 4 1 0 2 5 1 1 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 6 21 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 22 37 1 0 23 38 1 0 27 39 1 0 31 40 1 0 35 41 1 0 5 37 1 0 4 21 1 0 2 42 1 1 43 7 1 0 44 11 1 0 45 15 1 0 46 19 1 0 47 1 1 0 47 48 1 0 49 23 1 0
S SKP 5 ID LBGPIpkk:ppppppppp:16000HO12:16000BC12:02 FORMULA C44H90O4R EXACTMASS 713.3450113680001 AVERAGEMASS 713.8441000000001 SMILES C(COC(COCCC(C)CCCC(CCCC(C)CCCC(C)C)C)(C)CO[R])C(CCCC(CCCC(C)CCCC(C)C)C)(C)O M END
