Molecule Editor

Molecule ID: FYI-1003862 Edit

Molecule Structure InChIKey: WFBVRQLHXBCQDI-GELKCUNVSA-N

Molecule Structure SMILES String: C=C4CC(=O)C/C=C\C3=CCC(CC2=CC=C1OCO[C@H]1C2)=C[C@H]3C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003862
FYIcenter.com

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    8.3150    0.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6937    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5936    2.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5936    3.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6937    4.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    5.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1026    7.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9618    2.9312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    4.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    5.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    5.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    4.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6238    2.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
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 13 12  1  0  0  0  0
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 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  6  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
 22 14  1  0  0  0  0
 23 12  2  0  0  0  0
 24 23  1  6  0  0  0
 24  9  1  0  0  0  0
 25 24  1  0  0  0  0
 25  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003862-3D
FYIcenter.com

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M  END
$$$$