Molecule FYI-1002601

A

Molecule Summary:

ID: FYI-1002601
Names:
InChIKey: MDAUVGPVNIMPDT-UHFFFAOYSA-Q
SMILES: CC5C[OH+][OH+][Co]1246[OH+][OH+]CC(CC[NH+]1C(C[OH+][OH+]2)Cc3cncn34)[NH+]56

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

Molecule ID: FYI-1002601 Edit

Molecule Structure InChIKey: MDAUVGPVNIMPDT-UHFFFAOYSA-Q

Molecule Structure SMILES String: CC5C[OH+][OH+][Co]1246[OH+][OH+]CC(CC[NH+]1C(C[OH+][OH+]2)Cc3cncn34)[NH+]56

Download SDF Download SVG Structure in 2D SDF:

FYI-1002601
FYIcenter.com

 24 29  0  0  0  0  0  0  0  0999 V2000
    6.4808    2.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3040    2.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0696    0.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8110    0.4784    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    3.2559    1.6137    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.1330    2.6116    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.3820    2.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6960    3.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7265    3.8269    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.9743    4.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9114    4.9299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3203    4.2601    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1019    4.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6067    5.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6014    4.4502    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    1.5276    3.1330    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.2248    3.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8302    2.8722    0.0000 Co  0  0  0  0  0  0  0  0  0  0  0  0
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 24  6  1  0  0  0  0
 24 10  1  0  0  0  0
 24 13  1  0  0  0  0
 24 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002601-3D
FYIcenter.com

 52 57  0  0  1  0  0  0  0  0999 V2000
    1.0101   -0.2205   -0.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282   -0.0643   -1.1161 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4065   -0.0973   -2.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4491    0.6588   -3.1973 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.5939    0.5292   -2.5253 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.9907    1.1991   -0.6995 Co  0  0  0  0  0  0  0  0  0  0  0  0
    4.5365    3.1440   -0.2652 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.0852    3.2131    0.9942 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.0518    1.9146    1.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4156    0.9472    0.4372 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5291    1.1555    0.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4884    1.0345    0.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6905    1.1991   -0.6995 N   0  3  3  0  0  0  0  0  0  0  0  0
    8.9357    1.0546   -2.0026 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6474   -0.0093   -2.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0450   -0.9072   -1.1200 O   0  3  0  0  0  0  0  0  0  0  0  0
    5.6838   -0.7283   -0.9207 O   0  3  0  0  0  0  0  0  0  0  0  0
    8.2897    2.4918   -2.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8926    2.8146   -2.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7348    3.7247   -3.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4466    4.0716   -3.8372 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8284    3.3634   -2.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0207    1.1991   -0.6995 N   0  3  3  0  0  0  0  0  0  0  0  0
    0.8398   -1.2651   -0.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2119    0.0425   -1.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8711    0.4547    0.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4719    0.3858   -3.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3770   -1.1332   -3.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1893    1.6025   -3.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0363   -0.2664   -2.9259 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3430    3.7214   -0.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1355    3.5067    0.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0529    1.6597    1.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7578    1.8492    2.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.0425    0.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8366    1.6906    1.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5206    4.1698   -4.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7764    3.4857   -2.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6672    2.1130   -1.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
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  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
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 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
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 14 18  1  0  0  0  0
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 15 45  1  0  0  0  0
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 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 51  1  0  0  0  0
 24 52  1  0  0  0  0
M  END
$$$$

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2023-04-17, 424👍, 0💬