Mol:LBG00k-k:CBZ1Sk013::18000SC01
31 31 0 0 0 0 0 0 0 0999 V2000 1.4389 3.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4486 2.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4486 2.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2639 3.7108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 2.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6236 2.8308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3952 2.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 3.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9139 3.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3264 2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1514 2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5639 3.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1514 4.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3264 4.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0986 2.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5111 1.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0986 0.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 0.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8611 -0.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 -0.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6236 -0.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 -0.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6139 -1.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4389 -1.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 -2.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6764 -2.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0889 -2.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9139 -2.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3264 -3.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1514 -3.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5639 -4.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 3 5 1 0 2 6 1 0 8 4 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 9 14 1 0 5 15 1 0 7 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 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
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 M SAL 1 2 30 31 M SBL 1 2 14 15 M SMT 1 (CH2)17 M SBV 1 14 -0.8250 0.0000 M SBV 1 15 1.2966 0.0000 S SKP 5 ID LBG00k-k:CBZ1Sk013::18000SC01:01 FORMULA C28H50O3 EXACTMASS 434.37599546599995 AVERAGEMASS 434.6948 SMILES O(CC(O)COC(C)CCCCCCCCCCCCCCCC)Cc(c1)cccc1 M END
