Molecule FYI-1000336

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A

Molecule Summary:

ID: FYI-1000336
SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C

Received at FYIcenter.com on: 2021-04-06

Molecule ID: FYI-1000336 Edit

Molecule Structure SMILES String: CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000336
FYIcenter.com

 31 35  0  0  0  0  0  0  0  0999 V2000
    5.3325    9.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1201    9.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1201   11.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9078    9.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290    9.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6922    8.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3922    7.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7615    7.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6982    6.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0674    7.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5716    4.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5083    3.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8775    4.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8143    2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3817    1.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3184    0.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0124    1.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0757    2.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7064    2.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7697    3.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2023    4.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2656    5.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8963    5.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9596    6.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0047    4.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9721    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3034    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9408    5.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  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  1  0  0  0  0
  8  4  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
 12 11  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  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 19 13  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 12  1  0  0  0  0
 23 22  1  0  0  0  0
 23  9  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25  7  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 18  1  0  0  0  0
 29 18  1  0  0  0  0
 30 13  1  0  0  0  0
 31  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000336-3D
FYIcenter.com

 79 83  0  0  1  0  0  0  0  0999 V2000
    2.1492    1.0578    2.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5759    0.7736    0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6084    0.5024   -0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0854    0.7669    0.3508 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8952    0.3996    1.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0624   -1.1450    1.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5788   -1.6166    0.1437 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6788   -0.3015   -0.6736 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2321   -0.0114   -0.9621 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5081    1.2597   -1.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6523    1.9498   -1.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9259    1.0695   -0.9145 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0976    1.7956   -0.1302 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3562    3.2274   -0.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6174    3.8923   -0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8220    3.0127   -0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7938    3.4515   -0.9909 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7529    1.5637    0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4287    0.9677   -0.4326 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3168   -0.5710   -0.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0807   -1.1431   -1.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7479   -0.5154   -0.5663 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3402   -1.1156   -1.2413 C   0  0  3  0  0  0  0  0  0  0  0  0
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    5.3762   -2.6814   -0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8654    1.5259    1.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4628    3.1816   -1.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5511    4.1126    0.9422 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8823   -0.5512    1.4805 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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  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
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  7 25  1  0  0  0  0
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  8 42  1  0  0  0  0
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 22 27  1  0  0  0  0
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 23 26  1  0  0  0  0
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 24 58  1  0  0  0  0
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 25 61  1  0  0  0  0
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 31 78  1  0  0  0  0
 31 79  1  0  0  0  0
M  END
$$$$

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2022-07-26, 3394👍, 0💬