Mol:LBGPxkkp:16402BC01:16402BC01:CPYCT0008
76 74 0 0 0 0 0 0 0 0999 V2000 -2.0047 -2.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4834 -2.9281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2592 2.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2931 -1.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1673 -1.2630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2931 -2.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8895 -2.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8895 -3.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2699 -2.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2699 -3.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4426 -1.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4276 -2.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4276 -3.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7756 -2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4853 -2.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1763 -2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5992 -2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3158 -2.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0187 -2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5364 -2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8487 -2.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1136 -2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7179 -2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7976 -2.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1049 -2.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4104 -2.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1049 -3.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9471 -1.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9471 -1.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9471 -1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2122 -1.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2122 -1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3699 -1.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3699 -1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8163 -0.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -1.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2341 -0.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -0.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3734 -1.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0764 -0.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4787 -0.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7911 -1.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0559 -0.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6601 -0.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4087 2.2593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5328 2.2593 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.5992 2.2593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5328 2.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5328 1.4038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3073 2.2593 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.3073 2.9892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3073 1.4038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8994 0.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8942 0.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1997 0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3952 1.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5889 0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6024 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8994 -0.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9077 -0.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0911 2.5378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1149 1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6428 1.6686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1673 1.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1673 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6428 2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8942 1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6428 3.2643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1865 2.2593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 1.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7756 -2.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0047 -2.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8383 -1.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1456 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4511 -1.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1456 -1.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 4 5 1 1 7 8 1 0 9 10 1 0 12 13 1 0 14 15 1 0 15 16 1 0 7 16 1 0 7 17 2 0 17 18 1 0 18 19 1 0 9 19 1 0 9 20 2 0 20 21 1 0 21 22 1 0 12 22 1 0 12 23 2 0 1 23 1 0 4 6 1 0 24 25 1 0 25 26 1 0 25 27 1 0 29 30 1 0 31 32 1 0 33 34 1 0 35 36 1 0 36 37 1 0 29 37 1 0 29 38 2 0 38 39 1 0 39 40 1 0 31 40 1 0 31 41 2 0 41 42 1 0 42 43 1 0 33 43 1 0 33 44 2 0 28 44 1 0 11 28 1 0 14 25 1 0 45 46 1 0 46 47 1 0 46 48 2 0 46 49 1 0 50 51 2 0 50 52 1 0 53 54 1 0 54 55 1 0 55 56 1 0 53 57 1 0 62 63 1 0 63 64 1 0 64 65 2 0 65 66 1 0 55 63 1 0 62 67 2 0 66 68 1 0 2 6 1 0 4 3 1 0 4 11 1 1 3 45 1 0 58 56 1 0 53 59 1 0 54 60 1 0 47 50 1 0 61 66 1 0 61 62 1 0 50 69 1 0 58 70 1 0 69 70 1 0 71 72 1 0 73 74 2 0 74 75 1 0 74 76 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 69 70 M SBL 1 2 68 69 M SMT 1 OCH2 M SBV 1 68 -0.8792 0.0000 M SBV 1 69 0.0034 -0.5654 S SKP 5 ID LBGPxkkp:16402BC01:16402BC01:CPYCT0008:01 FORMULA C57H105N3O13P2 EXACTMASS 1101.712263481 AVERAGEMASS 1102.403542 SMILES C(C(=CCCC(=CCCC(=CCOCC([H])(COP(OP(OCCOC(C(O)C(C)O)N(C(=O)1)C=CC(N1)N)(O)=O)(O)=O)OCC=C(C)CCC=C(CCC=C(C)CCC)C)C)C)C)CCC(C)(C)C M END
