Molecule Editor

Molecule ID: FYI-1000227 Edit

Molecule Structure SMILES String: CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000227
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    8.8861    2.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6738    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5274    3.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2485    4.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159    3.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2622    1.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8063    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1378    1.7641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    1.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    1.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    3.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8368    3.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    5.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    5.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    5.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    3.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  5  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000227-3D
FYIcenter.com

 53 56  0  0  1  0  0  0  0  0999 V2000
    1.1005    0.0269   -1.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5472    0.4569   -1.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0813    1.3052   -2.3421 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2800   -0.2610   -0.3938 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5505    0.2169    1.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4275    0.0329    1.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1021   -0.1038    0.5205 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1576   -0.8703   -0.8184 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5443   -2.3320   -0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3370   -2.7822    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9631   -1.5195    0.9161 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8303    0.3665    0.3310 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8548    1.9480    0.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0933    1.7251    0.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2930    0.2199    1.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2598    0.5467    1.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5817   -1.9779    2.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0360   -1.4397    1.1989 C   0  0  3  0  0  0  0  0  0  0  0  0
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    1.8486    2.4659    1.3982 H   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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  2  4  1  0  0  0  0
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  4 27  1  0  0  0  0
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  5 28  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 43  1  0  0  0  0
 17 18  2  0  0  0  0
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 21 22  1  0  0  0  0
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 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
M  END
$$$$