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      "structure": {
        "id": "59fd1adb-257a-4a9b-a3fb-4734b0e94a15",
        "molfile": "\n  Marvin  01132104402D          \n\n 41 38  0  0  0  0            999 V2000\n    9.6157   -3.8038    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    8.1752   -4.2588    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.4612   -3.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7473   -4.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0333   -3.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3193   -4.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6053   -3.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8913   -4.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1774   -3.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4634   -4.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7494   -3.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4571   -3.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9227   -3.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2087   -4.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5052   -3.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2192   -4.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9332   -3.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6472   -4.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3612   -3.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0751   -4.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7891   -3.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1752   -4.2588    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.4612   -3.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7473   -4.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0333   -3.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3193   -4.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6053   -3.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8913   -4.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1774   -3.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4634   -4.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7494   -3.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4571   -3.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9227   -3.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2087   -4.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5052   -3.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2192   -4.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9332   -3.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6472   -4.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3612   -3.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0751   -4.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7891   -3.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n 20 21  1  0  0  0  0\n  4  5  1  0  0  0  0\n 10 11  1  0  0  0  0\n  3 12  2  0  0  0  0\n  5  6  1  0  0  0  0\n 11 13  2  0  0  0  0\n  2  3  1  0  0  0  0\n 13 14  1  0  0  0  0\n  6  7  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n  7  8  1  0  0  0  0\n 16 17  1  0  0  0  0\n  3  4  1  0  0  0  0\n 17 18  1  0  0  0  0\n  8  9  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n  9 10  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 32  2  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 26 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  1  0  0  0  0\n 30 31  1  0  0  0  0\n 31 33  2  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  1  0  0  0  0\n 39 40  1  0  0  0  0\n 40 41  1  0  0  0  0\nM  CHG  3   1   2   2  -1  22  -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 10  32  33  34  35  36  37  38  39  40  41\nM  SPA   1 15   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16\nM  SPA   1  5  17  18  19  20  21\nM  SDI   1  4   -5.2091   -4.6788   -5.2091   -2.5987\nM  SDI   1  4    8.5952   -2.5987    8.5952   -4.6788\nM  SMT   1 2\nM  END",
        "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\\CCCCCCCC(=O)[O-].[Ca+2]",
        "formula": "2C18H33O2.Ca",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 2,
        "molecular_weight": "602.9862",
        "optical_activity": "NONE",
        "references": [
          "40d6a78b-ecc8-4c3c-8008-703655e0424f",
          "9ed4acd6-0afc-490c-ac8d-d36b6a57cd42"
        ],
        "stereo_centers": 0
      },
      "unii": "4K5QQP44TZ"
    }
  ]
}