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0 0 0\n 13.0351 -10.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0351 -9.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2614 -8.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2614 -8.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5448 -7.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5464 -6.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8298 -6.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8316 -5.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1149 -5.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1167 -4.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8342 -3.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8342 -3.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5517 -2.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5517 -1.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2693 -1.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5077 -12.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6955 -12.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2843 -11.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4573 -11.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1749 -10.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3479 -10.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0656 -10.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2432 -10.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9607 -9.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1438 -9.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8598 -8.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0429 -8.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7589 -7.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9420 -7.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3555 -7.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5702 -8.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9836 -9.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1984 -10.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6118 -10.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6955 -10.8746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7470 -14.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0707 -14.8472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.2870 -15.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7000 -16.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0506 -16.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4682 -17.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8143 -18.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2318 -18.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5825 -19.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1098 -20.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4590 -21.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9864 -21.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3357 -22.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8631 -23.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0381 -23.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6256 -23.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8006 -23.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3881 -24.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5631 -24.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0814 -15.8577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 25.5176 -14.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.2298 -14.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.2298 -15.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.9440 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0\n 86 85 1 0 0 0 0\n 87 86 1 0 0 0 0\n 88 87 1 0 0 0 0\n 88 89 1 0 0 0 0\n 89 90 1 0 0 0 0\n 90 91 1 0 0 0 0\n 91 92 1 0 0 0 0\n 92 93 1 0 0 0 0\n 93 94 1 0 0 0 0\n 94 95 1 0 0 0 0\n 95 96 1 0 0 0 0\n 96 97 1 0 0 0 0\n 81 98 2 0 0 0 0\n 14 99 1 0 0 0 0\n 99100 1 0 0 0 0\n101100 1 0 0 0 0\n102101 1 0 0 0 0\n103102 1 0 0 0 0\n104103 1 0 0 0 0\n105104 1 0 0 0 0\n106105 1 0 0 0 0\n107106 1 0 0 0 0\n108107 1 0 0 0 0\n108109 1 0 0 0 0\n109110 1 0 0 0 0\n110111 1 0 0 0 0\n111112 1 0 0 0 0\n112113 1 0 0 0 0\n113114 1 0 0 0 0\n114115 1 0 0 0 0\n115116 1 0 0 0 0\n116117 1 0 0 0 0\n101118 2 0 0 0 0\n 1119 1 0 0 0 0\n119120 1 0 0 0 0\n120121 1 0 0 0 0\n121122 1 0 0 0 0\n122123 1 0 0 0 0\n123124 1 0 0 0 0\n124125 1 0 0 0 0\n 32126 1 0 0 0 0\n 77127 1 0 0 0 0\n 96128 1 0 0 0 0\n 57129 1 0 0 0 0\n124130 1 0 0 0 0\n116131 1 0 0 0 0\nM END", "smiles": "CC(C)CCCCCCCCCCCCCCC(=O)OCC(COCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C", "formula": "C118H226O13", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "1853.0537", "optical_activity": "NONE", "references": [ "a929c59e-fd25-4b86-bffe-0464f2dfd4d0", "1b7f92be-d8f0-403d-87b9-ad4457cc4e43" ], "stereo_centers": 0 }, "unii": "AZB5BWP5F5" } ] }