Mol:LBG00kkk::18000SC01:CBZ1Sk013
31 31 0 0 0 0 0 0 0 0999 V2000 3.9188 2.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0938 2.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9188 1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7438 1.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5687 1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3937 1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8063 1.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6312 1.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0437 1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6312 2.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8063 2.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9188 3.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7438 3.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0437 -3.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6312 -2.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8063 -2.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3937 -2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5687 -2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1563 -1.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3312 -1.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9188 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0938 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4438 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6188 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2063 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6187 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0312 2.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8562 2.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2687 2.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 6 11 1 0 12 1 1 0 12 13 1 0 2 31 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 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 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 M SAL 1 3 29 30 31 M SBL 1 1 14 M SMT 1 CH3(CH2)1^7 M SBV 1 14 0.8250 0.0000 S SKP 5 ID LBG00kkk::18000SC01:CBZ1Sk013:01 FORMULA C28H50O3 EXACTMASS 434.37599546599995 AVERAGEMASS 434.6948 SMILES O(CC(CO)OCCCCCCCCCCCCCCCCCC)Cc(c1)cccc1 M END
