Mol:LBG00-kc::18109SC01:CBZ1Sk013
32 32 0 0 0 0 0 0 0 0999 V2000 -3.7091 2.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1803 4.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7523 3.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0727 3.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4695 4.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0727 4.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7523 4.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7091 4.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8841 4.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8841 4.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0592 4.9008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8904 2.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8904 1.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0655 1.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0655 0.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2405 0.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2405 0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4156 0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4156 -0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4093 -0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4093 -1.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2343 -1.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2343 -2.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0592 -2.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0592 -3.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8841 -3.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8841 -4.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7091 -4.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7091 -4.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 -4.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7091 1.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5340 1.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 2 7 1 0 1 8 1 0 2 11 1 0 8 9 1 0 9 10 1 0 10 11 1 0 1 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 2 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 1 31 1 0 31 32 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 2 7 8 M SMT 1 CH2OCO M SBV 1 7 0.0000 -1.5523 M SBV 1 8 0.8789 -0.8249 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 M SAL 2 4 27 28 29 30 M SBL 2 1 12 M SMT 2 O(CH2)8CH=CH(CH2)7CH3 M SBV 2 12 -0.8187 0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 31 32 M SBL 3 1 31 M SMT 3 CH2OH M SBV 3 31 0.0000 1.4067 S SKP 5 ID LBG00-kc::18109SC01:CBZ1Sk013:01 FORMULA C28H48O4 EXACTMASS 448.35526002399996 AVERAGEMASS 448.67832 SMILES C(C(CO)OCCCCCCCCC=CCCCCCCCC)OCOc(c1)cccc1 M END
