Molecule Editor

Molecule ID: FYI-1007237 Edit

Molecule Structure InChIKey: KANVZOPVUVDBGU-DSUPCQNZSA-N

Molecule Structure SMILES String: C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(Cc1ccccc1)CCCC2(C)C)/C=C/C=C(C)\C=C\C=C(C)/CCCC(C)(C)O[C@@H]3O[C@H](CO)[C@@H](O)C(O)C3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007237
FYIcenter.com

 58 60  0  0  1  0  0  0  0  0999 V2000
   29.0985   23.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3110   23.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234   23.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234   21.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3110   21.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985   21.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861   21.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736   21.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612   21.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488   21.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488   23.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612   23.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736   23.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5488   20.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8488   21.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612   19.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3990   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.1000    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
   14.5492    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7622    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   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    4.9000    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
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    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  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  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
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 32  1  0  0  0  0
 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 37  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 42  1  0  0  0  0
 45 42  1  0  0  0  0
 46 45  1  6  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
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 53 52  1  0  0  0  0
 49 54  1  1  0  0  0
 55 48  1  0  0  0  0
 56 47  1  0  0  0  0
 57 22  1  0  0  0  0
 58 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007237-3D
FYIcenter.com

130132  0  0  1  0  0  0  0  0999 V2000
    1.0045   -0.1438   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6345    1.7089    2.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3427    2.4772    2.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7299    3.4049    3.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8132    2.4128    2.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6311    3.0674    3.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0800    3.0383    3.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8370    3.8069    4.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0117    2.6571    4.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4728    2.6193    5.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4381   -0.5387    3.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1155   -0.9016    3.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8088   -2.1932    4.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8185   -3.1465    4.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$