Molecule Editor

Molecule ID: FYI-1014585 Edit

Molecule Structure InChIKey: LDGIHZJOIQSHPB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c6ccc5cc(c4ccc(O)c(C23CC1CC(CC(C1)C2)C3)c4)ccc5c6

Download SDF Download SVG Structure in 2D SDF:

FYI-1014585
FYIcenter.com

 30 35  0  0  0  0  0  0  0  0999 V2000
    7.6738    2.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5776    1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5776    0.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8820    0.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7564    1.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8839    3.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6738    4.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5776    3.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8496    2.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6738    5.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7701    6.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6738    8.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2888    9.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2888    8.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3850    7.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1926    9.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1926   11.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2888   11.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3850   11.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0962   11.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0962   13.0804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.1817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8663    5.4853    0.0000 O   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
  6  1  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
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
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 15 14  1  0  0  0  0
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 18 17  2  0  0  0  0
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 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
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 26 19  1  0  0  0  0
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 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
 30 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014585-3D
FYIcenter.com

 56 61  0     0  0  0  0  0  0999 V2000
    4.1723    2.6011    0.4053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5318   -2.4116    0.3638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1138   -0.4030   -0.5269 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4591   -0.1332   -0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8054   -2.6507   -0.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4673   -1.0320   -1.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3427   -1.3812    1.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7729   -1.5158   -0.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4289    0.0991   -1.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3040   -0.2510    1.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6208   -2.7161    0.9507 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4521    0.9617    0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8521    2.2833    0.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    0.6559   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1399    1.6687    0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8973    3.2960    0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2668    1.3503   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7363    0.1025    0.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$