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      "structure": {
        "id": "9cb869fd-9eea-4f00-a257-255a14b8e3e1",
        "molfile": "\n  Marvin  01132108092D          \n\n 24 19  0  0  1  0            999 V2000\n    1.0684   -3.2214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8380   -2.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4831   -3.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3587   -4.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0086   -4.7686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2526   -3.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8978   -3.6469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4831   -1.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0495   -2.2027    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0\n    9.4759   -3.7526    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    8.7624   -4.1634    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    8.0442   -3.7526    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    7.3306   -4.1634    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    6.6169   -3.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8987   -4.1634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3306   -4.9896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0442   -2.9264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7624   -4.9896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4759   -2.9264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1942   -4.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9079   -3.7526    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.1942   -4.9896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3291   -4.0544    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   12.3291   -4.0544    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  3  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  3  8  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 13 16  1  6  0  0  0\n 12 17  1  1  0  0  0\n 11 18  1  1  0  0  0\n 10 19  1  1  0  0  0\n 20 10  1  0  0  0  0\n 21 20  1  0  0  0  0\n 22 20  2  0  0  0  0\n  1  2  1  0  0  0  0\nM  CHG  4   9   3  21  -1  23  -1  24  -1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  23  24\nM  SPA   1  1  23\nM  SDI   1  4   11.9091   -4.4744   11.9091   -3.6344\nM  SDI   1  4   12.7491   -3.6344   12.7491   -4.4744\nM  SMT   1 2\nM  END",
        "smiles": "C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C(C(CO)(CO)N)O.[Al+3].[OH-].[OH-]",
        "formula": "C6H11O7.C4H11NO3.Al.2HO",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 4,
        "ez_centers": 0,
        "molecular_weight": "377.279",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "aba77fd8-0eba-4a83-b138-46d3c450061f",
          "c13d9961-30c9-4f74-af27-89c5d1446c56"
        ],
        "stereo_centers": 4
      },
      "unii": "I670EI8M2N"
    }
  ]
}