Mol:LBG00kck:R:YS2CA0001:18109SC01
49 51 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 2.4852 -6.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 -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 3.9190 -7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -6.2723 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 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 2.3771 -2.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3771 -2.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7938 -3.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 -3.4914 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 1 2 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 1 21 1 0 21 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 2 0 32 33 1 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 1 41 1 0 3 43 1 0 4 43 1 0 5 43 1 0 41 42 1 0 42 43 1 0 1 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 13 48 1 0 48 49 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 M SAL 1 5 36 37 38 39 40 M SBL 1 1 20 M SMT 1 CH2O(CH2)8CH=CH(CH2)7CH3 M SBV 1 20 0.0000 -2.1631 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 41 42 43 M SBL 2 4 40 41 42 43 M SMT 2 CH2-O-C M SBV 2 40 0.0000 2.9485 M SBV 2 41 3.5033 0.8249 M SBV 2 42 2.4748 1.6499 M SBV 2 43 2.4748 -0.0001 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 44 45 46 47 M SBL 3 1 46 M SMT 3 OCOCH3 M SBV 3 46 -0.8248 -0.0000 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 48 49 M SBL 4 1 50 M SMT 4 OCH3 M SBV 4 50 -0.8248 0.0000 S SKP 5 ID LBG00kck:R:YS2CA0001:18109SC01:01 FORMULA C44H62O5 EXACTMASS 670.4597250940001 AVERAGEMASS 670.9600800000001 SMILES CC(COCCCCCCCCC=CCCCCCCCC)(OC(C)=O)COC(c(c3)cccc3)(c(c2)cccc2)c(c1)ccc(c1)OC M END
