Molecule Editor

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
    4.9661    5.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.1009    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6683    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6051    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9745    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9113    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4071    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7386    1.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4475    3.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 12  1  0  0  0  0
 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
    2.4735   -0.0051   -2.0414 C   0  0  3  0  0  0  0  0  0  0  0  0
    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
    4.5092    0.9525   -0.9278 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8998    1.6290   -2.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.4767    2.5188   -5.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7003    4.2544   -3.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141    3.5465   -4.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.3082    1.4137   -3.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1700   -0.1683   -4.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5116   -1.0028   -2.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2915   -2.3622   -1.9524 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6814    0.0291   -5.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9402   -1.2141   -4.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
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 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 15 39  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 40  1  0  0  0  0
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 18 43  1  0  0  0  0
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 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
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M  END
$$$$