Mol:LBG00kkk:R:CBZ1Sk013:18000SC01
50 53 0 0 0 0 0 0 0 0999 V2000 1.4389 3.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4486 1.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4486 0.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2639 3.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 0.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6236 1.2337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3952 0.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 3.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 4.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9139 3.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 2.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8039 2.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8039 1.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 1.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3739 1.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3739 2.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3264 4.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1514 4.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5639 3.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1514 2.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3264 2.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3739 4.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3739 5.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 6.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8026 5.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8026 4.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 1.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0264 1.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4389 0.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2653 0.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6792 1.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2653 1.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4389 1.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0986 0.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5111 -0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0986 -1.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 -1.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8611 -1.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 -1.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6236 -2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 -2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6139 -3.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4389 -3.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 -3.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6764 -3.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0889 -4.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9139 -4.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3264 -5.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1514 -5.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5639 -6.0215 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 8 4 1 0 8 9 1 0 8 10 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 11 16 1 0 10 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 10 21 1 0 9 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 9 26 1 0 6 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 28 33 1 0 5 34 1 0 7 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 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 M SAL 1 2 49 50 M SBL 1 2 36 37 M SMT 1 (CH2)17 M SBV 1 36 -0.8250 0.0000 M SBV 1 37 1.2966 0.0000 S SKP 5 ID LBG00kkk:R:CBZ1Sk013:18000SC01:01 FORMULA C47H64O3 EXACTMASS 676.485545914 AVERAGEMASS 677.0092599999999 SMILES O(CC(COC(CCCCCCCCCCCCCCCC)C)OCc(c4)cccc4)C(c(c3)cccc3)(c(c2)cccc2)c(c1)cccc1 M END
