Mol:LBG00-kk::16000BC12:16000BC12 2
(Redirected from Mol:LBG00-kk::16000BC12:16000BC12:02)
48 44 0 0 0 0 0 0 0 0999 V2000 -3.6058 1.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6058 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9558 0.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 1.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4499 -0.0559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6058 -1.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3202 -2.4096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1698 1.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7039 1.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2379 1.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2281 1.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 1.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1596 1.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6255 1.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0915 1.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5575 1.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0234 1.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4844 1.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 1.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4209 1.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8869 1.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3528 1.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6161 1.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7039 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1596 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0234 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8869 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0728 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6068 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1408 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3251 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7911 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2566 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7226 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1886 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6545 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1205 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5815 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0520 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9839 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4499 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6068 0.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2566 0.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1205 0.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9839 0.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1102 1.5455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 2 3 1 1 1 4 1 0 2 5 1 1 2 6 1 6 6 7 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 20 21 1 0 21 22 1 0 8 23 1 0 9 24 1 0 13 25 1 0 17 26 1 0 21 27 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 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 28 43 1 0 29 44 1 0 33 45 1 0 37 46 1 0 41 47 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 6 7 M SBL 1 1 5 M SMT 1 CH2OH M SBV 1 5 0.0000 1.9412 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 1 48 M SMT 2 H2 S SKP 5 ID LBG00-kk::16000BC12:16000BC12:02 FORMULA C43H93O3 EXACTMASS 657.712471842 AVERAGEMASS 658.19672 SMILES C(CC(C)CCCC(CC)C)CC(C)CCCC(C)C M END
