Mol:LBG00k-k:R::18109SC01
46 48 0 0 0 0 0 0 0 0999 V2000 1.5523 -2.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5523 -0.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2307 -5.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2021 -4.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2021 -5.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -3.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -2.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2021 -2.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 -2.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 -3.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6295 -5.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 -5.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8722 -5.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4935 -6.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4935 -7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2021 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 -7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 -6.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1445 -2.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5523 -5.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7273 -5.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7273 -5.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5523 0.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7273 0.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7273 0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 1.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 1.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7475 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7475 3.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5724 3.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5724 4.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3973 4.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3973 5.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2223 5.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2223 5.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0472 5.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0472 6.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8721 6.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8721 7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6971 7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6971 -5.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6971 -5.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 4 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 4 10 1 0 3 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 3 15 1 0 5 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 5 20 1 0 21 1 1 0 1 22 1 0 3 24 1 0 4 24 1 0 5 24 1 0 22 23 1 0 23 24 1 0 1 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 1 0 33 34 1 0 34 35 1 0 35 36 2 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 13 45 1 0 45 46 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 22 23 24 M SBL 1 4 21 22 23 24 M SMT 1 CH2-O-C M SBV 1 21 0.0000 2.9485 M SBV 1 22 3.5033 0.8249 M SBV 1 23 2.4748 1.6499 M SBV 1 24 2.4748 -0.0001 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 M SAL 2 5 40 41 42 43 44 M SBL 2 1 27 M SMT 2 CH2O(CH2)8CH=CH(CH2)7CH3 M SBV 2 27 0.0000 -2.1631 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 45 46 M SBL 3 1 47 M SMT 3 OCH3 M SBV 3 47 -0.8248 0.0000 S SKP 5 ID LBG00k-k:R::18109SC01:01 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
