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-4.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4470 -4.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7325 -3.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7325 -2.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0180 -2.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0180 -1.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3036 -1.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4495 -6.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1640 -6.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1640 -5.4090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8784 -6.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5929 -6.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3074 -6.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0219 -6.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7363 -6.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.4508 -6.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.1653 -6.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.8797 -6.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.5942 -6.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.5942 -7.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.3087 -7.8840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 23.0231 -7.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 23.7376 -7.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.4521 -7.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 23.7376 -8.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.3087 -8.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.0231 -9.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.0231 -9.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.7376 -10.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.7376 -11.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.4521 -11.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 6 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 18 20 1 0 0 0 0\n 16 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 25 26 1 0 0 0 0\n 1 27 1 0 0 0 0\n 27 28 1 0 0 0 0\n 28 29 1 0 0 0 0\n 29 30 2 0 0 0 0\n 29 31 1 0 0 0 0\n 31 32 1 0 0 0 0\n 32 33 1 0 0 0 0\n 33 34 1 0 0 0 0\n 34 35 1 0 0 0 0\n 35 36 1 0 0 0 0\n 36 37 1 0 0 0 0\n 37 38 1 0 0 0 0\n 38 39 2 0 0 0 0\n 39 40 1 0 0 0 0\n 40 41 1 0 0 0 0\n 41 42 1 6 0 0 0\n 42 43 1 0 0 0 0\n 43 44 2 0 0 0 0\n 43 45 1 0 0 0 0\n 41 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 1 52 1 0 0 0 0\n 52 53 1 0 0 0 0\n 53 54 2 0 0 0 0\n 53 55 1 0 0 0 0\n 55 56 1 0 0 0 0\n 56 57 1 0 0 0 0\n 57 58 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 2 0 0 0 0\n 63 64 1 0 0 0 0\n 64 65 1 0 0 0 0\n 65 66 1 6 0 0 0\n 66 67 1 0 0 0 0\n 67 68 2 0 0 0 0\n 67 69 1 0 0 0 0\n 65 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\n 74 75 1 0 0 0 0\nM END", "smiles": "CCCCCC[C@H](C/C=C\\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\\C[C@@H](CCCCCC)OC(=O)C)OC(=O)CCCCCCC/C=C\\C[C@@H](CCCCCC)OC(=O)C)OC(=O)C", "formula": "C63H110O12", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 3, "ez_centers": 3, "molecular_weight": "1059.5427", "optical_activity": "UNSPECIFIED", "references": [ "f1d160b2-3da7-42db-8e31-8628e046af3d", "5ce4ac3c-642a-4246-9549-86e460b03baa" ], "stereo_centers": 3 }, "unii": "6TX6N2LEXN" } ] }