Molecule Editor

Molecule ID: FYI-1002833 Edit

Molecule Structure InChIKey: FPUOHWCHNRGRGT-ATVHPVEESA-N

Molecule Structure SMILES String: CC12C=CCC=C1CCC3C2CCC4(C)/C(=C\C(=O)O)C(=O)CC34

Download SDF Download SVG Structure in 2D SDF:

FYI-1002833
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    2.6634    1.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1365    1.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5059    0.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427    1.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0100    3.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    3.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    4.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    4.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5309    5.3944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.2653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9468    4.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7489    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1182    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5508    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6141    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2447    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8753    0.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16  6  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 23  5  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002833-3D
FYIcenter.com

 50 53  0  0  1  0  0  0  0  0999 V2000
    1.2432   -0.4834   -0.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6607   -0.1739   -1.4590 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4359   -1.1088   -2.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2892   -0.6258   -3.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5326    0.8186   -3.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7332    1.8117   -2.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7762    1.3674   -1.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4645    2.3065   -0.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8267    2.4582    0.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5307    1.0178    0.3065 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5768   -0.3224   -0.2224 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6379   -1.5613    0.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1616   -1.6536    0.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6132   -0.8788    1.9166 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1438   -1.8562    3.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1043   -0.7313    2.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0905   -1.0427    1.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1452    0.5202    2.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9653    0.5441    4.0076 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6449    1.3415    2.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0  0  0  0
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 15 43  1  0  0  0  0
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 24 50  1  0  0  0  0
M  END
$$$$