Molecule Editor

Molecule ID: FYI-1007244 Edit

Molecule Structure InChIKey: XFZGGBAFQYYSAO-MGLLKOEKSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007244
FYIcenter.com

 22 25  0  0  1  0  0  0  0  0999 V2000
    6.0622    6.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2333    8.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8978    0.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9155    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2169    0.5285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5371    6.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2234    8.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
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 15  5  1  0  0  0  0
 15  9  1  0  0  0  0
 15 16  1  1  0  0  0
 17  6  1  0  0  0  0
 17  1  1  0  0  0  0
 10 18  1  1  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  8 20  1  1  0  0  0
  1 21  1  1  0  0  0
 21 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007244-3D
FYIcenter.com

 50 53  0  0  1  0  0  0  0  0999 V2000
    5.7457    1.7360    0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0729    2.2770   -0.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4013    3.4201   -1.6207 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3397    4.6247   -1.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9736    3.8813   -1.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.7886   -1.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8569    2.0761   -2.7387 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2972    1.7918   -3.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7080    0.5742   -3.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871   -0.5524   -3.9223 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7453   -1.6360   -2.9838 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4709   -2.2007   -3.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1022   -3.1564   -2.3795 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6485   -1.4664   -4.0932 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9171   -2.3003   -5.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1331   -1.2579   -4.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4257    1.0338   -2.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9441    0.7614   -2.7253 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0794    0.0882   -1.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3511   -0.1120   -3.9955 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.3679    4.4049   -1.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6732    4.7195   -1.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9680    4.2686   -0.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9271    3.2018   -1.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1497    2.0801   -0.5602 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1315   -0.9553   -4.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2904   -3.2099   -5.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6906   -1.7403   -6.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2625    2.6834   -3.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 15 38  1  0  0  0  0
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 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
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 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
M  END
$$$$