Molecule FYI-1004781

A

Molecule Summary:

ID: FYI-1004781
Names:
InChIKey: FJLGEFLZQAZZCD-MCBHFWOFSA-N
SMILES: CC(C)n3c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(c1ccc(F)cc1)c2ccccc23

Received at FYIcenter.com on: 2023-09-25

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
   11.9152    0.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3152    0.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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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    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
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 17 22  1  6  0  0  0
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 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
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    1.4454    0.5191    0.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
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M  END
$$$$

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2023-10-11, 1469👍, 0💬