Molecule FYI-1002602

A

Molecule Summary:

ID: FYI-1002602
Names:
InChIKey: OTGFDMDPHWITOL-KVQDPSMASA-K
SMILES: CC1C(=O)O[Co+2]2356OC(=O)C(CC=[N+]12)[NH+]3C(C/C\\4=C/N=C\\NC/C=[N+]45)C(=O)O6

Received at FYIcenter.com on: 2023-04-11

Molecule ID: FYI-1002602 Edit

Molecule Structure InChIKey: OTGFDMDPHWITOL-KVQDPSMASA-K

Molecule Structure SMILES String: CC1C(=O)O[Co+2]2356OC(=O)C(CC=[N+]12)[NH+]3C(C/C\4=C/N=C\NC/C=[N+]45)C(=O)O6

Download SDF Download SVG Structure in 2D SDF:

FYI-1002602
FYIcenter.com

 27 32  0  0  0  0  0  0  0  0999 V2000
    8.3686    4.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9423    2.8543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7130    2.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4618    2.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6881    3.8690    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.9194    3.5696    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0
    1.5663    3.1528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4256    1.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2308    1.2209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6861    1.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 15  1  0  0  0  0
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 23  6  1  0  0  0  0
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 25 24  1  0  0  0  0
 25  5  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 27  1  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002602-3D
FYIcenter.com

 45 50  0  0  1  0  0  0  0  0999 V2000
    3.7726  -15.2438   -0.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709  -14.1783   -0.8830 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0117  -15.0367   -0.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6520  -15.8490   -0.9924 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3418  -14.7308    0.9083 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8914  -12.9430    1.2755 Co  0  2  0  0  0  0  0  0  0  0  0  0
    4.1790  -11.4122    1.8524 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7013  -10.8107    2.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2513   -9.9217    3.6746 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1834  -11.1209    2.9405 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0364  -10.7356    1.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9559  -11.5411   -0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8606  -12.9287   -0.0005 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.8927  -12.4856    2.7826 N   0  3  3  0  0  0  0  0  0  0  0  0
    7.1995  -13.7272    3.3166 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3463  -14.0675    2.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3519  -13.0339    0.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2090  -11.8571    1.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3133  -11.4238    2.3739 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8987  -10.1883    2.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2475   -9.2325    1.8947 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6987   -9.2988    0.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3399  -11.1745   -0.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1308  -10.8055   -1.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
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 23 24  2  3  0  0  0
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 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-17, 2121👍, 0💬