Mol:LBG00k-k:18109SC01::R
46 48 0 0 0 0 0 0 0 0999 V2000 1.5523 -2.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5523 -1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1636 -2.4613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2307 -4.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2021 -3.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2021 -5.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -2.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -2.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2021 -1.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 -2.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 -2.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6295 -4.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 -4.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8722 -4.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 -3.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -3.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4935 -5.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4935 -6.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2021 -6.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 -6.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 -5.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5523 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7273 -0.7636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7273 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 1.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7475 1.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7475 2.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5724 2.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5724 3.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3973 3.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3973 4.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2223 4.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2223 5.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0472 5.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0472 5.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8721 5.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8721 6.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6971 6.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6971 -4.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6971 -5.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5523 -4.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7273 -4.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7273 -5.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 1 1 0 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 5 11 1 0 4 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 4 16 1 0 6 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 6 21 1 0 1 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 31 32 1 0 32 33 2 0 33 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 14 42 1 0 42 43 1 0 1 44 1 0 4 46 1 0 5 46 1 0 6 46 1 0 44 45 1 0 45 46 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 M SAL 1 5 37 38 39 40 41 M SBL 1 1 21 M SMT 1 CH2O(CH2)8CH=CH(CH2)7CH3 M SBV 1 21 0.0000 -1.6977 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 42 43 M SBL 2 1 41 M SMT 2 OCH3 M SBV 2 41 -0.8248 0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 44 45 46 M SBL 3 4 43 44 45 46 M SMT 3 CH2-O-C M SBV 3 43 0.0000 1.7268 M SBV 3 44 3.5033 0.8249 M SBV 3 45 2.4748 1.6499 M SBV 3 46 2.4748 0.0001 S SKP 5 ID LBG00k-k:18109SC01::R:01 FORMULA C42H60O4 EXACTMASS 628.449160408 AVERAGEMASS 628.9234 SMILES c(c1C(c(c3)cccc3)(c(c2)cccc2)OCC(COCCCCCCCCC=CCCCCCCCC)(C)O)cc(OC)cc1 M END
