Molecule Editor

Molecule ID: FYI-1002260 Edit

Molecule Structure InChIKey: OQMYHPYMPFVJOQ-UHFFFAOYSA-N

Molecule Structure SMILES String: COC3=CC(O)c2c(C)c1C(=O)CC(C)C4c1c6c2c3c7C(CC(C)=O)=CC(O)c8c(C)c5C(=O)CC(C)C4c5c6c78

Download SDF Download SVG Structure in 2D SDF:

FYI-1002260
FYIcenter.com

 42 49  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
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 17 16  2  0  0  0  0
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
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 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
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 34 33  1  0  0  0  0
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 37 27  1  0  0  0  0
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 38  3  1  0  0  0  0
 39 38  1  0  0  0  0
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 40 39  2  0  0  0  0
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 40 26  1  0  0  0  0
 41 28  2  0  0  0  0
 41 24  1  0  0  0  0
 42 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002260-3D
FYIcenter.com

 76 83  0  0  1  0  0  0  0  0999 V2000
    2.0108   -2.6055    0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2262   -0.3232   -0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9668   -0.2991   -1.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5601    0.4025   -2.4483 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9176   -0.5282   -3.4675 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0672    0.7537   -2.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2908    0.9365   -3.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8264    0.6215   -5.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$