Molecule Editor

Molecule ID: FYI-1005746 Edit

Molecule Structure InChIKey: STECJAGHUSJQJN-USLFZFAMSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1005746
FYIcenter.com

 43 46  0     1  0  0  0  0  0999 V2000
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    6.4156    0.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9661   -1.7081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3565    1.4410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2514   -1.0996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5934   -0.1599    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8787   -0.5075    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6198    0.4584    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005746-3D
FYIcenter.com

 43 46  0     1  0  0  0  0  0999 V2000
    5.1563   -0.4209   -0.0778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2282   -0.5191    0.9297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5308   -2.3422   -0.4445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2291   -2.2552   -1.4321 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0329    1.2839   -0.4103 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8753   -0.9388   -0.4498 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1139   -0.3782    0.9014 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9031   -0.0050   -1.1278 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2777    0.8747    0.9917 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4542   -0.4477   -0.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8704    0.5313    1.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1730   -0.5647    0.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0433    2.1771   -0.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9777   -1.4757    0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$