Molecule FYI-1007249

A

Molecule Summary:

ID: FYI-1007249
Names:
InChIKey: MPHXYQVSOFGNEN-XQWUHPLDSA-N
SMILES: C=C[C@]4(C)CCC1C(=C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@]1(C)C23)C4

Received at FYIcenter.com on: 2024-02-10

Molecule ID: FYI-1007249 Edit

Molecule Structure InChIKey: MPHXYQVSOFGNEN-XQWUHPLDSA-N

Molecule Structure SMILES String: C=C[C@]4(C)CCC1C(=C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@]1(C)C23)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007249
FYIcenter.com

 23 26  0  0  1  0  0  0  0  0999 V2000
   10.8022    4.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5927    4.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3833    4.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5927    3.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3833    2.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1739    1.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9643    2.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9643    4.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7549    4.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5455    4.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2173    4.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3965    3.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2173    2.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8770    1.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1328    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2626    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5385    0.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7549    1.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9083    1.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5455    2.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1739    4.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8852    0.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 10  1  0  0  0  0
 21 14  1  0  0  0  0
 22  8  1  0  0  0  0
 22  3  1  0  0  0  0
 16 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007249-3D
FYIcenter.com

 49 52  0  0  1  0  0  0  0  0999 V2000
    4.9395    4.8910    0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0001    4.6761   -0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1759    4.5861   -2.0279 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8370    3.2291   -2.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9868    5.7302   -2.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3995    7.1213   -2.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8626    7.3047   -2.6466 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1276    5.9901   -2.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9859    5.9340   -1.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1858    7.1113   -1.2171 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2524    7.4426    0.1697 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0813    8.8140    0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1154    9.4289    1.3258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1766    9.3847   -1.0865 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7143    9.2856   -1.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2645   10.7818   -1.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5425   11.6911   -1.6592 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2159    8.5606   -1.8621 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9182    8.6464   -0.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6295    8.3744   -1.8990 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  2 26  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
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  4 27  1  0  0  0  0
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  5  6  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
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  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
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 16 18  1  0  0  0  0
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 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
M  END
$$$$

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