Molecule FYI-1002617

A

Molecule Summary:

ID: FYI-1002617
Names:
InChIKey: LLWRARCBKQCISL-SOFGYWHQSA-N
SMILES: CC/C=C/CCCC(=O)OC(COC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O

Received at FYIcenter.com on: 2023-04-13

Molecule ID: FYI-1002617 Edit

Molecule Structure InChIKey: LLWRARCBKQCISL-SOFGYWHQSA-N

Molecule Structure SMILES String: CC/C=C/CCCC(=O)OC(COC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002617
FYIcenter.com

 43 43  0  0  0  0  0  0  0  0999 V2000
   21.8238    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.4244    8.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7244    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.5865    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7865    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  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  2  0  0  0  0
 17 15  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  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
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 28  1  0  0  0  0
 32 21  1  0  0  0  0
 33 20  1  0  0  0  0
 34 12  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 35  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002617-3D
FYIcenter.com

 89 89  0  0  1  0  0  0  0  0999 V2000
    3.5467    7.6930    7.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0606    7.5730    7.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6393    7.3383    6.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    6.2537    5.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9376    6.0340    4.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3947    4.7519    3.9567 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9717    4.5061    2.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4714    4.3452    2.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0066    3.5012    3.3201 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1214    5.2972    1.9020 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5680    5.2717    1.9969 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1544    5.0347    0.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6852    3.8054    0.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3198    2.7018    0.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2648    2.6898    1.2832 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7343    1.4761   -0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8503    0.2978    0.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4310   -2.1173    1.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8649   -3.4220    0.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0186   -4.5675    1.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4469   -5.8552    1.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0735    6.6217    2.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5834    6.9247    3.8275 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7490   10.4712    4.1623 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.8648    9.4007    4.1640 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.8630    9.5739    3.1774 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4895    9.3261    5.5673 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.5284    8.3392    5.5789 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0249   10.7174    5.9984 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.9868   11.2044    5.0394 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4153   13.0329    6.4093 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-04-17, 2752👍, 0💬