Molecule Editor

Molecule ID: FYI-1015905 Edit

Molecule Structure InChIKey: PDKAQNNCLCGPJX-CIRFHOKZSA-N

Molecule Structure SMILES String: CC(=O)CC[C@H]2[C@](C)(O)CC[C@H]1C(C)(C)CCC[C@@]12C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015905
FYIcenter.com

 20 21  0  0  1  0  0  0  0  0999 V2000
    4.6273    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8398    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8398    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0522    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2647    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2647    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0522    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0522    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8398    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4149    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2024    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2899    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9274    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2274    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6646    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9646    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  2  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 10  1  0  0  0  0
 10 17  1  6  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 14 20  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015905-3D
FYIcenter.com

 52 53  0     1  0  0  0  0  0999 V2000
    1.8715    2.1527    0.7752 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3451   -1.8717   -0.5544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7485   -0.4965   -0.2426 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9113    0.3963    0.3373 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6212    0.1303    0.2644 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3649   -0.1812    0.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8002    1.6518   -0.0491 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9052   -1.9310    0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7630    1.8660   -0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4404    2.4487    0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7679   -0.6119   -1.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8725   -0.6952   -0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9320   -0.1398   -1.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$