Molecule Editor

Molecule ID: FYI-1004781 Edit

Molecule Structure InChIKey: FJLGEFLZQAZZCD-MCBHFWOFSA-N

Molecule Structure SMILES String: CC(C)n3c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(c1ccc(F)cc1)c2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1004781
FYIcenter.com

 30 32  0  0  1  0  0  0  0  0999 V2000
    7.4739    1.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8054    1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0965    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8457    2.3062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152    2.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0152    2.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3152    3.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    3.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9783    4.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    5.7985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.7985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.7985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6009    6.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8920    7.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8517    8.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5201    7.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2291    6.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1427    9.7455    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
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 17 16  1  0  0  0  0
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 19 18  1  0  0  0  0
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 21 19  1  0  0  0  0
 17 22  1  6  0  0  0
 15 23  1  6  0  0  0
 24 11  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004781-3D
FYIcenter.com

 56 58  0     1  0  0  0  0  0999 V2000
   -3.5484   -3.5223    0.2903 F   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2713    1.6400    1.2959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2762   -0.8953   -1.3219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2494   -0.2964    0.8686 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7533    0.8675    0.2167 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3126    2.1973    0.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4454    0.5191    0.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$