Mol:LBG00ck-:CBZ1Sk013:18109SC01
32 32 0 0 0 0 0 0 0 0999 V2000 1.9440 -2.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4728 -0.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9008 -1.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7258 -1.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1226 -0.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7258 -0.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9008 -0.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3018 -2.6161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3018 -1.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4769 -1.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4769 -0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3481 -0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3481 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9979 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9979 1.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8229 1.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8229 2.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6478 2.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6478 3.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4727 3.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4727 3.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2977 3.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2977 4.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1226 4.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 -0.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -0.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5939 0.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 -4.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1191 -4.8083 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 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 2 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 1 27 1 0 2 30 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 15 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 M SAL 1 4 23 24 25 26 M SBL 1 1 7 M SMT 1 ^O(H2C)8HC=HC(H2C)7H3C M SBV 1 7 0.6422 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 27 28 29 30 M SBL 2 2 26 27 M SMT 2 CH2OCO M SBV 2 26 0.0000 -1.8432 M SBV 2 27 0.8789 -0.8249 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 2.1922 S SKP 5 ID LBG00ck-:CBZ1Sk013:18109SC01::01 FORMULA C28H48O4 EXACTMASS 448.35526002399996 AVERAGEMASS 448.67832 SMILES C(C(CO)OCCCCCCCCC=CCCCCCCCC)OCOc(c1)cccc1 M END
