Molecule FYI-1003542

A

Molecule Summary:

ID: FYI-1003542
Names:
InChIKey: GFLZVIUGJVSYJX-LZYCVMHZSA-N
SMILES: C=C2CCC1C(C)(C)CCC[C@]1(C)[C@H]2C/C=C\\3CCOC3=O

Received at FYIcenter.com on: 2023-06-29

Molecule ID: FYI-1003542 Edit

Molecule Structure InChIKey: GFLZVIUGJVSYJX-LZYCVMHZSA-N

Molecule Structure SMILES String: C=C2CCC1C(C)(C)CCC[C@]1(C)[C@H]2C/C=C\3CCOC3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003542
FYIcenter.com

 22 24  0  0  1  0  0  0  0  0999 V2000
    8.4655    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7655    7.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6407    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    0.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 20  2  0  0  0  0
 22 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003542-3D
FYIcenter.com

 52 54  0  0  1  0  0  0  0  0999 V2000
    0.9914   -0.2456   -0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0888   -0.0040    0.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7714   -1.1786    1.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2607   -1.2315    0.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9723    0.0735    1.3743 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5467   -0.0205    1.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1396   -1.0633    2.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0408   -0.4909   -0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1697    1.3355    1.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5134    2.5866    1.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9922    2.5887    1.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3131    1.3393    0.6630 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.7245    1.3709    0.9277 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0327    2.5890    0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5412    2.2884   -1.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  2 14  1  0  0  0  0
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  3 26  1  0  0  0  0
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  4 27  1  0  0  0  0
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  5 29  1  0  0  0  0
  6  9  1  0  0  0  0
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  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
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  9 10  1  0  0  0  0
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  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
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 10 39  1  0  0  0  0
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 12 13  1  6  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  1  0  0  0  0
 14 45  1  1  0  0  0
 15 16  1  0  0  0  0
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 16 17  2  0  0  0  0
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 21 22  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-08, 2004👍, 0💬