Molecule Editor

Molecule ID: FYI-1005757 Edit

Molecule Structure InChIKey: STECJAGHUSJQJN-GAUPFVANSA-N

Molecule Structure SMILES String: CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005757
FYIcenter.com

 43 46  0     1  0  0  0  0  0999 V2000
    2.0000   -0.9261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3728   -0.9317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8210    0.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2705   -1.7081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8802    1.4410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9853   -1.0996    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6433   -0.1599    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3580   -0.5075    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6168    0.4584    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6297   -1.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0485    0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 43  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005757-3D
FYIcenter.com

 43 46  0     1  0  0  0  0  0999 V2000
    5.1967    1.5178   -0.1864 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2454   -0.7550   -0.7675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8001    1.1277    0.0486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1566   -2.9547    0.0109 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8905   -0.6931    0.7789 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8005    1.5890    0.1188 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2956    0.7947   -1.0306 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2395    0.5960    1.1068 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0166   -0.6501   -0.6960 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7466    0.3416    0.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106   -1.0447   -1.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5070   -0.1068   -0.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1441   -0.9279    1.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8432   -0.0192   -0.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$