Molecule Editor

Molecule ID: FYI-1005125 Edit

Molecule Structure InChIKey: QXJHCOODJTZEDO-PRPRSFIFSA-N

Molecule Structure SMILES String: CC(C)CCC[C@@H](C)[C@H]2CC[C@H]3[C@@H](OC(=O)Cc1cccc(O)c1)CCC[C@]23C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005125
FYIcenter.com

 29 31  0  0  1  0  0  0  0  0999 V2000
   14.6292    9.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167   10.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167   11.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2043    9.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5669   10.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5669   11.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3545    9.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756   10.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1387    9.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3062    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7388    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  6  0  0  0
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 17  9  1  0  0  0  0
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 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
 29 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005125-3D
FYIcenter.com

 69 71  0     1  0  0  0  0  0999 V2000
   -1.6016   -0.6107    0.1422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3425   -0.1854    1.5946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1378    3.3127   -0.1296 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3870   -1.3358   -0.1599 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.9930    0.9761    0.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4066    0.8756   -0.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$