Molecule Editor

Molecule ID: FYI-1006256 Edit

Molecule Structure InChIKey: QNCUKCVBSXATGJ-UHFFFAOYSA-N

Molecule Structure SMILES String: COC5CC4CN3CCc1c([nH]c2ccc(O)cc12)C3CC4CO5

Download SDF Download SVG Structure in 2D SDF:

FYI-1006256
FYIcenter.com

 24 28  0  0  0  0  0  0  0  0999 V2000
   11.3908    8.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9658    8.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9658    7.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7534    6.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7534    5.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5409    4.5368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5409    3.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3285    2.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161    3.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161    4.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    4.9694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    3.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7846    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3285    5.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3285    6.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5409    7.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5409    8.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7534    9.4368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
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 19 18  2  0  0  0  0
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 19 13  1  0  0  0  0
 20 11  1  0  0  0  0
 20  7  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006256-3D
FYIcenter.com

 48 52  0  0  1  0  0  0  0  0999 V2000
    1.4620   -1.8542   -0.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2465   -0.6967   -0.2008 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766    0.3218   -0.5138 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1467    1.3511    0.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897    2.9972    0.3878 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1845    4.6465    0.8837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6343    4.6799    1.3163 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.0191    4.9870    0.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3340    4.2967    1.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9259    3.2872    2.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6445    2.8341    2.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1745    2.6126    3.5996 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1713    2.8024    4.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1806    2.7902    5.9396 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3845    2.9224    6.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5486    3.0640    5.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667    3.1245    6.5088 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3179    3.0419    3.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6934    3.2797    1.2318 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4829    3.0929   -0.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9253    3.1022   -1.0108 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2076    2.0001   -1.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$