Molecule FYI-1002834

A

Molecule Summary:

ID: FYI-1002834
Names:
InChIKey: XGGSQRQFHZEBIY-WJDWOHSUSA-N
SMILES: C/C(C(=O)O)=C/1C(=O)CC3C1(C)CCC2C(C)(C)C(=O)CCC23C

Received at FYIcenter.com on: 2023-04-23

Molecule ID: FYI-1002834 Edit

Molecule Structure InChIKey: XGGSQRQFHZEBIY-WJDWOHSUSA-N

Molecule Structure SMILES String: C/C(C(=O)O)=C/1C(=O)CC3C1(C)CCC2C(C)(C)C(=O)CCC23C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002834
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.2516    8.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    7.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    6.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    5.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    4.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1641    4.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    5.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9029    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4703    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7315    2.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8878    6.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    8.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    9.8160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    7.7160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21  8  1  0  0  0  0
 22  2  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002834-3D
FYIcenter.com

 52 54  0  0  1  0  0  0  0  0999 V2000
    0.9533   -0.3922    1.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4475   -0.4778    1.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2824    0.4001    1.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8527    1.4155    2.4361 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5323   -0.0454    2.0914 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172   -1.0236   -0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9817   -1.9209   -0.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6807   -3.0404   -0.4251 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5717   -1.2655   -2.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7351   -0.3575   -1.1654 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7438   -1.4014   -1.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6348    2.0260   -3.0436 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8341    3.0452   -4.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1090    4.7355   -4.5490 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3906    2.4768   -4.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  5 28  1  0  0  0  0
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  6 11  1  0  0  0  0
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  9 10  1  0  0  0  0
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 19 20  2  0  0  0  0
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 24 52  1  0  0  0  0
M  END
$$$$

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2023-05-31, 2339👍, 0💬