Molecule Editor

Molecule ID: FYI-1005620 Edit

Molecule Structure InChIKey: NIKHGUQULKYIGE-XSBFNCLBSA-N

Molecule Structure SMILES String: C=C3C[C@@]24CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@]1(C)[C@@H]2CC[C@@H]3C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005620
FYIcenter.com

 22 25  0  0  1  0  0  0  0  0999 V2000
    6.1283    5.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0110    4.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3816    4.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3816    2.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0110    2.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8258    2.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6404    2.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4248    3.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0413    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9841    6.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5109    5.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    4.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0992    3.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3816    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3816    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0110    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  1  0  0  0
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 11  2  1  0  0  0  0
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 18 10  1  0  0  0  0
  6 19  1  1  0  0  0
 20  6  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005620-3D
FYIcenter.com

 52 55  0  0  1  0  0  0  0  0999 V2000
    2.2084   -6.5729   -1.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2587   -5.2630   -1.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0507   -4.4475   -1.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3893   -3.1160   -1.2353 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6708   -1.8664   -1.7671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2225   -1.2484   -0.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0671   -2.4010   -0.1360 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5484   -2.0683    0.2433 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1380   -1.0243   -0.7232 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$