Mol:LBGTGccc:18109HO01:18109HO01:18109HO01
68 67 0 0 0 0 0 0 0 0999 V2000 -6.8955 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0705 2.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8955 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8955 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8955 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8955 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0705 0.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0705 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3563 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6421 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2138 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4996 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0713 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3563 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6421 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2138 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4996 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0713 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3563 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3563 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1821 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8963 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6105 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3246 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0389 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4671 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1814 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8955 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1821 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8963 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6105 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3246 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0389 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4671 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1814 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8955 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3563 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6421 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2138 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4996 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0713 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3563 -2.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1821 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8963 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6105 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3246 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0389 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4671 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1814 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8955 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6105 -2.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6105 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6105 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 4 7 1 0 6 8 1 0 7 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 2 18 1 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 18 27 2 0 9 28 2 0 26 29 2 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 1 0 36 37 1 0 17 38 2 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 8 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 47 56 2 0 55 57 2 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 59 66 1 0 40 67 1 0 31 68 1 0
S SKP 5 ID LBGTGccc:18109HO01:18109HO01:18109HO01:01 FORMULA C59H108O9 EXACTMASS 960.7993350539999 AVERAGEMASS 961.48342 SMILES C(OCCC(OC(=O)CCCCCCCC=CCC(O)CCCCCC)CCOC(=O)CCCCCCCC=CCC(O)CCCCCC)(=O)CCCCCCCC=CCC(O)CCCCCC M END
