Molecule FYI-1001642

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A

Molecule Summary:

ID: FYI-1001642
SMILES: CCCCCCCCCCCC[C@H](C1CCC(O1)[C@@H](CCCC(C(CCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O)O)O

Received at FYIcenter.com on: 2022-10-14

Molecule ID: FYI-1001642 Edit

Molecule Structure SMILES String: CCCCCCCCCCCC[C@H](C1CCC(O1)[C@@H](CCCC(C(CCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001642
FYIcenter.com

 43 44  0  0  1  0  0  0  0  0999 V2000
   35.9588    7.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1359    5.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7436    6.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9207    4.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5284    5.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7055    3.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3132    4.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4902    2.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0979    3.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2750    1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8827    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0598    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6675    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    2.6950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8446    0.0000    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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 40 24  1  0  0  0  0
 41 23  1  0  0  0  0
 19 42  1  1  0  0  0
 13 43  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001642-3D
FYIcenter.com

107108  0  0  1  0  0  0  0  0999 V2000
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 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
 24 84  1  0  0  0  0
 25 26  1  0  0  0  0
 25 85  1  0  0  0  0
 25 86  1  0  0  0  0
 26 27  1  0  0  0  0
 26 87  1  0  0  0  0
 26 88  1  0  0  0  0
 27 28  1  0  0  0  0
 27 89  1  0  0  0  0
 27 90  1  0  0  0  0
 28 29  1  0  0  0  0
 28 91  1  0  0  0  0
 28 92  1  0  0  0  0
 29 93  1  0  0  0  0
 29 94  1  0  0  0  0
 30 39  1  0  0  0  0
 30 31  1  0  0  0  0
 30 29  1  0  0  0  0
 30 95  1  6  0  0  0
 31 32  1  0  0  0  0
 31 96  1  0  0  0  0
 31 97  1  0  0  0  0
 32 33  2  0  0  0  0
 32 36  1  0  0  0  0
 33 34  1  0  0  0  0
 33 98  1  0  0  0  0
 34 35  1  0  0  0  0
 34 38  1  0  0  0  0
 34 99  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 38100  1  0  0  0  0
 38101  1  0  0  0  0
 38102  1  0  0  0  0
 39103  1  0  0  0  0
 40104  1  0  0  0  0
 41105  1  0  0  0  0
 42106  1  0  0  0  0
 43107  1  0  0  0  0
M  END
$$$$

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2022-10-21, 1970👍, 0💬