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-5.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4074 -4.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2947 -2.6132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6350 -3.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3352 -4.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3352 -5.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1196 -5.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1196 -6.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7808 -6.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7808 -7.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5653 -7.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5653 -8.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8636 -9.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8636 -10.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1196 -10.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4195 -10.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6772 -10.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9737 -10.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9737 -9.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2737 -8.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0 0\n 3 2 1 0 0 0 0\n 4 3 1 0 0 0 0\n 5 4 1 0 0 0 0\n 6 5 1 0 0 0 0\n 7 6 2 0 0 0 0\n 8 6 1 0 0 0 0\n 9 8 1 0 0 0 0\n 10 9 1 0 0 0 0\n 11 10 1 0 0 0 0\n 12 11 1 0 0 0 0\n 13 12 1 0 0 0 0\n 14 13 1 0 0 0 0\n 15 14 1 0 0 0 0\n 16 15 2 0 0 0 0\n 17 16 1 0 0 0 0\n 18 17 1 0 0 0 0\n 19 18 2 0 0 0 0\n 20 19 1 0 0 0 0\n 21 20 1 0 0 0 0\n 22 21 2 0 0 0 0\n 23 22 1 0 0 0 0\n 24 23 1 0 0 0 0\n 25 3 1 0 0 0 0\n 26 25 1 0 0 0 0\n 27 26 1 0 0 0 0\n 28 27 2 0 0 0 0\n 29 27 1 0 0 0 0\n 30 29 1 0 0 0 0\n 31 30 1 0 0 0 0\n 32 31 1 0 0 0 0\n 33 32 1 0 0 0 0\n 34 33 1 0 0 0 0\n 35 34 1 0 0 0 0\n 36 35 1 0 0 0 0\n 37 36 2 0 0 0 0\n 38 37 1 0 0 0 0\n 39 38 1 0 0 0 0\n 40 39 2 0 0 0 0\n 41 40 1 0 0 0 0\n 42 41 1 0 0 0 0\n 43 42 2 0 0 0 0\n 44 43 1 0 0 0 0\n 45 44 1 0 0 0 0\n 46 1 2 0 0 0 0\n 47 1 1 0 0 0 0\n 48 47 1 0 0 0 0\n 49 48 1 0 0 0 0\n 50 49 1 0 0 0 0\n 51 50 1 0 0 0 0\n 52 51 1 0 0 0 0\n 53 52 1 0 0 0 0\n 54 53 1 0 0 0 0\n 55 54 2 0 0 0 0\n 56 55 1 0 0 0 0\n 57 56 1 0 0 0 0\n 58 57 2 0 0 0 0\n 59 58 1 0 0 0 0\n 60 59 1 0 0 0 0\n 61 60 2 0 0 0 0\n 62 61 1 0 0 0 0\n 63 62 1 0 0 0 0\nM END", "smiles": "CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\\C/C=C\\C/C=C\\CC)OC(=O)CCCCCCC/C=C\\C/C=C\\C/C=C\\CC", "formula": "C57H92O6", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 9, "molecular_weight": "873.3389", "optical_activity": "NONE", "references": [ "50b808f0-8798-4405-91c2-0b01a9dda4c7", "03534f99-fa81-400b-b10f-a29d07009397" ], "stereo_centers": 0 }, "unii": "OI7S0A9873" } ] }