Molecule Editor

Molecule ID: FYI-1004384 Edit

Molecule Structure InChIKey: UREBDLICKHMUKA-CXSFZGCWSA-N

Molecule Structure SMILES String: C[C@@H]4C[C@H]3[C@@H]2CCC1=CC(=O)C=C[C@]1(C)[C@@]2(F)[C@@H](O)C[C@]3(C)[C@@]4(O)C(=O)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1004384
FYIcenter.com

 28 31  0  0  1  0  0  0  0  0999 V2000
    6.6718    8.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8696    9.0547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6718    6.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5527    6.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9802    4.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0547    3.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7019    4.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0397    4.2443    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7763    3.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2038    1.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2782    0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4235    3.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5566    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4820    2.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3694    4.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745    5.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9215    5.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    6.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3633    4.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7907    6.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1060    6.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2652    7.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9041    7.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4739    9.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2761    8.3632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  6  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
  6 17  1  6  0  0  0
  9 18  1  1  0  0  0
 19  7  1  0  0  0  0
 19 20  1  1  0  0  0
 21 19  1  0  0  0  0
 21  4  1  0  0  0  0
  5 22  1  1  0  0  0
 23 22  1  0  0  0  0
 23  3  1  0  0  0  0
 23 24  1  6  0  0  0
  4 25  1  1  0  0  0
  3 26  1  6  0  0  0
 27  1  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004384-3D
FYIcenter.com

 57 60  0     1  0  0  0  0  0999 V2000
    1.3287    0.0906    1.2721 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9785   -0.2132    1.8253 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2867    2.1297   -1.4984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2894   -0.0598   -0.4983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6113    2.3761    0.7520 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1923    0.1011    1.6437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8120    0.1572   -0.2983 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9003   -1.0629   -0.0426 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4920   -0.9308   -0.6794 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2088    0.3314   -0.0879 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.3184    1.6068   -0.1796 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.7470   -2.0792   -0.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4041   -0.8523   -0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3286    0.4565    0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$