Molecule Editor

Molecule ID: FYI-1014439 Edit

Molecule Structure InChIKey: VOCBWIIFXDYGNZ-IXKNJLPQSA-N

Molecule Structure SMILES String: CCCCCCC(=O)O[C@H]3CC[C@H]4[C@@H]2CCC1=CC(=O)CC[C@]1(C)[C@H]2CC[C@]34C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014439
FYIcenter.com

 29 32  0  0  1  0  0  0  0  0999 V2000
   13.4499    9.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2375   10.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0251    9.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8126   10.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6002    9.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3878   10.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1754    9.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1754    7.9813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9629   10.0813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7505    9.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4716    9.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5347    8.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7388    5.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    6.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5043    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4410    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0084    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2431    2.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6757    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9356    8.4216    0.0000 C   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
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  6  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  6  0  0  0
 14 13  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  6  0  0  0
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  1  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
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 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 17  1  0  0  0  0
 27 21  1  0  0  0  0
 27 28  1  6  0  0  0
 14 29  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014439-3D
FYIcenter.com

 69 72  0     1  0  0  0  0  0999 V2000
   -2.6006    0.0682   -0.0946 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1373    0.7526    1.2680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9082   -1.2945    1.2299 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8261   -1.1528    0.1424 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1423   -0.0230   -0.2570 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2333   -0.9545   -0.4292 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8074    0.3954    0.1058 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2782    0.6751   -0.3915 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3886    1.2885    0.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8268    1.5776   -0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3536    2.0297    0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$