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0 0 0 0\n103104 1 0 0 0 0\n104105 1 0 0 0 0\n105106 1 0 0 0 0\n106107 1 0 0 0 0\n107108 1 0 0 0 0\n108109 1 0 0 0 0\n109110 1 0 0 0 0\n110111 1 0 0 0 0\n 39 75 1 0 0 0 0\n 39 40 2 0 0 0 0\n 39 41 1 0 0 0 0\n 39 58 1 0 0 0 0\n 41 42 1 0 0 0 0\n 42 43 1 0 0 0 0\n 43 44 1 0 0 0 0\n 44 45 1 0 0 0 0\n 45 46 1 0 0 0 0\n 46 47 1 0 0 0 0\n 47 48 1 0 0 0 0\n 48 49 1 0 0 0 0\n 49 50 1 0 0 0 0\n 50 51 1 0 0 0 0\n 51 52 1 0 0 0 0\n 52 53 1 0 0 0 0\n 53 54 1 0 0 0 0\n 54 55 1 0 0 0 0\n 55 56 1 0 0 0 0\n 56 57 1 0 0 0 0\n 58 59 1 0 0 0 0\n 59 60 1 0 0 0 0\n 60 61 1 0 0 0 0\n 61 62 1 0 0 0 0\n 62 63 1 0 0 0 0\n 63 64 1 0 0 0 0\n 64 65 1 0 0 0 0\n 65 66 1 0 0 0 0\n 66 67 1 0 0 0 0\n 67 68 1 0 0 0 0\n 68 69 1 0 0 0 0\n 69 70 1 0 0 0 0\n 70 71 1 0 0 0 0\n 71 72 1 0 0 0 0\n 72 73 1 0 0 0 0\n 73 74 1 0 0 0 0\nM CHG 4 1 3 38 -1 75 -1 112 -1\nM STY 1 1 MUL\nM SCN 1 1 HT \nM SAL 1 15 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16\nM SAL 1 15 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31\nM SAL 1 15 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46\nM SAL 1 15 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61\nM SAL 1 15 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76\nM SAL 1 15 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91\nM SAL 1 15 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106\nM SAL 1 6 107 108 109 110 111 112\nM SPA 1 15 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16\nM SPA 1 15 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31\nM SPA 1 7 32 33 34 35 36 37 38\nM SDI 1 4 -0.0001 -9.8977 -0.0001 4.5555\nM SDI 1 4 13.9006 4.5555 13.9006 -9.8977\nM SMT 1 3\nM END", "smiles": "CCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCC.[Al+3]", "formula": "3C32H66O4P.Al", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "1664.4986", "optical_activity": "NONE", "references": [ "12adafed-66ee-40c4-8ef3-571873745195", "07a3be48-9239-4958-9335-a3f764de1b10" ], "stereo_centers": 0 }, "unii": "WMV3R5DS7O" } ] }