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        "molfile": "\n  Marvin  01132106212D          \n\n 29 32  0  0  1  0            999 V2000\n    6.7324   -5.4096    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    5.8918   -5.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1598   -4.7543    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    5.4217   -6.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1085   -6.1647    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    6.2081   -6.8315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7581   -4.0191    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    5.5015   -4.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9633   -4.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9545   -4.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0230   -3.2926    0.0000 N   0  0  1  0  0  0  0  0  0  0  0  0\n    7.3992   -5.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3480   -5.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9035   -6.1647    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    4.6039   -6.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0232   -3.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6267   -4.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1907   -5.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6643   -6.8657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9628   -6.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3705   -2.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1764   -6.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5614   -4.7543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1085   -6.9711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6419   -4.7429    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5566   -4.7429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6419   -3.8197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6419   -5.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7102   -4.7429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n 16 12  1  0  0  0  0\n 17  8  2  0  0  0  0\n 18 17  1  0  0  0  0\n 14 19  1  6  0  0  0\n 20 15  1  0  0  0  0\n 21 11  1  0  0  0  0\n 22 20  1  0  0  0  0\n  3 23  1  1  0  0  0\n  6  4  1  0  0  0  0\n 16 11  1  0  0  0  0\n 13  9  2  0  0  0  0\n 10  8  1  0  0  0  0\n 18 15  2  0  0  0  0\n  2  1  1  0  0  0  0\n  3  1  1  0  0  0  0\n  4  2  2  0  0  0  0\n  5 24  1  1  0  0  0\n  5  1  1  0  0  0  0\n  5  6  1  0  0  0  0\n  7  3  1  0  0  0  0\n  8  2  1  0  0  0  0\n  9  3  1  0  0  0  0\n 10  7  1  0  0  0  0\n  7 11  1  1  0  0  0\n  1 12  1  1  0  0  0\n 13 14  1  0  0  0  0\n 14  5  1  0  0  0  0\n 26 25  2  0  0  0  0\n 27 25  1  0  0  0  0\n 28 25  1  0  0  0  0\n 29 25  1  0  0  0  0\n 15  4  1  0  0  0  0\nM  END",
        "smiles": "CN1CC[C@@]23[C@@]4([H])C=C[C@@H]([C@]2([H])Oc5c(ccc(C[C@H]41)c53)OC)O.OP(=O)(O)O",
        "formula": "C18H21NO3.H3O4P",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 5,
        "ez_centers": 0,
        "molecular_weight": "397.3601",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "d1352ad4-162d-4d20-9a70-1a1f81f5a94a",
          "2ef8e9fb-6bfd-4aa2-b155-77e0dfb2cca3"
        ],
        "stereo_centers": 5
      },
      "unii": "2X585M1M3T"
    }
  ]
}