Mol:LBG00-kk::CBZ1Sk013:18000SC01
31 31 0 0 0 0 0 0 0 0999 V2000 2.0233 4.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 3.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 2.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8483 4.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 2.3626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 3.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9795 2.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 3.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 3.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8545 2.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6809 2.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0948 3.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6809 3.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8545 3.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 2.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0955 1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 0.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 0.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4455 0.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6205 0.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -0.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 -1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8545 -1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -1.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -1.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5045 -2.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3295 -2.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 -3.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 -3.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9795 -4.0676 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 6 8 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 LBG00-kk::CBZ1Sk013:18000SC01:01 FORMULA C28H50O3 EXACTMASS 434.37599546599995 AVERAGEMASS 434.6948 SMILES O(C(C)CCCCCCCCCCCCCCCC)CC(OCc(c1)cccc1)CO M END
