Molecule Editor

Molecule ID: FYI-1001116 Edit

Molecule Structure SMILES String: CC(CO)C2=C(O)C(=O)c1c3CCCC(C)(C)c3ccc1C2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001116
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6373    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.5124    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  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  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 15  1  0  0  0  0
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 18 15  1  0  0  0  0
 18 11  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 10  1  0  0  0  0
 22 21  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001116-3D
FYIcenter.com

 45 47  0  0  1  0  0  0  0  0999 V2000
    1.4603    1.1566    0.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4145    0.2015   -0.1224 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5573    0.9563   -0.8119 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3513    0.0424   -1.5646 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8650   -0.9331    0.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -2.2279    0.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9964   -2.6738   -0.6038 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8266   -3.2887    1.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220   -4.4233    1.3849 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5155   -2.9236    2.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8097   -3.8859    3.8876 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343   -5.3450    3.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0315   -6.3260    4.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9508   -5.7644    6.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7528   -4.4501    6.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2684   -4.7403    6.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4157   -3.8849    7.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8639   -1.5867    3.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7757   -0.1427    4.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
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  7 31  1  0  0  0  0
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M  END
$$$$