Molecule FYI-1001032

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Molecule Summary:

ID: FYI-1001032
SMILES: C1CC2C(CCC3(C)C2CCC3OF)C4(C)CCC(=O)CC14

Received at FYIcenter.com on: 2021-10-25

Molecule ID: FYI-1001032 Edit

Molecule Structure SMILES String: C1CC2C(CCC3(C)C2CCC3OF)C4(C)CCC(=O)CC14

Download SDF Download SVG Structure in 2D SDF:

FYI-1001032
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    6.1753    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7427    6.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3732    6.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4364    5.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0671    5.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6344    6.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    7.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2397    8.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    7.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    8.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    9.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.0813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.3813    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8690    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4997    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9323    2.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3649    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7344    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1670    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6711    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2385    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  3  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
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 14 13  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 22  1  1  0  0  0  0
 22 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001032-3D
FYIcenter.com

 51 54  0  0  1  0  0  0  0  0999 V2000
   -1.1392    1.8882    0.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5590    0.6296   -0.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6027   -0.5450   -0.0993 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8322   -0.1474   -0.5177 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7836   -1.3605   -0.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2726   -2.6316    0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1516   -3.0952   -0.2350 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0399   -4.2406   -1.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0563   -1.9010   -0.7128 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4878   -2.2221   -0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4277   -3.6156    0.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0048   -3.6645    0.9405 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6642   -4.9809    1.3281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6335   -5.5165    2.2065 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3299    1.1138    0.3135 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4263    0.7401    1.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7260    1.6017   -0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1296    2.9756    0.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0599    3.9997    0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3095    5.1021   -0.3011 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6767    3.6190    0.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3039    2.2740    0.0242 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.7536   -1.1040   -0.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0030   -1.6020   -1.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0053   -3.4172   -0.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3363   -2.4980    1.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5487   -3.9015   -2.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6632   -5.0353   -0.8285 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9302   -3.0173    1.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1312    1.3657    2.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5129    0.8947    0.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0654    3.3143   -0.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2902    2.9230    1.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0235    4.3967    0.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6676    3.5833    1.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3261    2.4418   -1.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 22  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 51  1  0  0  0  0
M  END
$$$$

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2022-03-29, 2024👍, 0💬