Molecule Editor

Molecule ID: FYI-1006074 Edit

Molecule Structure InChIKey: FRQMNJFBOJQRAQ-KCRLEBACSA-N

Molecule Structure SMILES String: CC=C(C)C(=O)OC1CC2C(C(C(C1)N2C)OC(=O)C(=CC)C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006074
FYIcenter.com

 51 52  0     1  0  0  0  0  0999 V2000
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   10.6723   -0.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2836   -0.3627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1603    2.0947    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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    7.4237    1.1121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2836   -0.3627    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0248    0.6033    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9036   -0.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4570    0.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2836   -2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2836   -2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5517   -1.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7836   -2.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006074-3D
FYIcenter.com

 51 52  0     1  0  0  0  0  0999 V2000
   -2.0625    0.1955    0.2697 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5718    1.2868   -2.0361 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3760    0.4313   -0.1556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5911   -1.9185   -0.5110 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1005    0.0748    1.3276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4807    2.9218    0.4430 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3416    1.6428    1.1641 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1003    2.6267   -0.8801 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6969    0.5639    0.1299 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4041    1.2172   -1.2289 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.6312    2.6662   -0.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$