Molecule Editor

Molecule ID: FYI-1005627 Edit

Molecule Structure InChIKey: NIKHGUQULKYIGE-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C3CC24CCC1C(C)(C(=O)O)CCCC1(C)C2CCC3C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005627
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8829    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
    2.0992    3.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4249    3.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6404    2.7373    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
    6.0110    2.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1963    2.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0110    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1963    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
    8.3816    2.7373    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
    7.1963    4.7902    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
    6.1283    5.4695    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
    3.7713    6.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2384    5.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5109    5.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  8  1  0  0  0  0
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 13  8  1  0  0  0  0
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 16 15  1  0  0  0  0
 16  7  1  0  0  0  0
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 18  4  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21  2  1  0  0  0  0
 22 21  1  0  0  0  0
 22  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005627-3D
FYIcenter.com

 52 55  0  0  1  0  0  0  0  0999 V2000
    1.1673    1.0502    1.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1182    0.3506    0.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6183    0.5939    0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8994    0.1059   -1.1783 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7897    1.1525   -1.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8462    0.9722   -3.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4846   -0.3677   -3.7290 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7328   -0.5279   -5.2777 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3902   -0.5556   -6.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5754    0.5861   -5.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2047    1.4389   -5.3084 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6355    0.5264   -7.2776 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6689   -1.7599   -5.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2640   -3.0263   -4.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8996   -2.7780   -3.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8179   -1.6508   -3.0376 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
$$$$