Molecule Editor

Molecule ID: FYI-1015399 Edit

Molecule Structure InChIKey: LAFREGHROJJWDK-UHFFFAOYSA-N

Molecule Structure SMILES String: COc5cc4CC1COC(=O)C1C(c3ccc2OCOc2c3)c4cc5OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1015399
FYIcenter.com

 27 31  0  0  0  0  0  0  0  0999 V2000
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    5.7917    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    8.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1543    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0502    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6196    1.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    5.7157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    6.4157    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  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 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  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
 22 14  1  0  0  0  0
 23 13  1  0  0  0  0
 23  5  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25  3  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015399-3D
FYIcenter.com

 47 51  0     1  0  0  0  0  0999 V2000
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   -2.8690    2.6093    1.5122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4102    1.9834   -0.7140 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6170    1.7138   -1.9186 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    2.1859    0.0874 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4983   -2.3383   -0.2926 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6657   -2.8233   -1.1387 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2642   -1.0328    0.5118 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4304   -1.7195   -1.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6604   -3.5048    0.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5170   -0.1625    0.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2460    0.1129    1.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5259    1.5716    0.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2982    1.2573   -0.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0670    1.1317   -0.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7804    1.4013    0.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7562    2.3804   -1.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4326    2.2280   -0.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5940    1.5657    0.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8879    0.5361   -0.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
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  3 20  1  0  0  0  0
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  4 21  1  0  0  0  0
  4 27  1  0  0  0  0
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  9 30  1  0  0  0  0
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 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  2  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 35  1  0  0  0  0
 17 21  1  0  0  0  0
 17 36  1  0  0  0  0
 18 22  1  0  0  0  0
 18 37  1  0  0  0  0
 19 23  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 25 40  1  0  0  0  0
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 27 47  1  0  0  0  0
M  END
$$$$