Molecule FYI-1001593

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Molecule Summary:

ID: FYI-1001593
SMILES: CCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O

Received at FYIcenter.com on: 2022-09-23

Molecule ID: FYI-1001593 Edit

Molecule Structure SMILES String: CCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001593
FYIcenter.com

 24 24  0  0  1  0  0  0  0  0999 V2000
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3450    4.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    4.3229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7353    6.7871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    3.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9  8  1  0  0  0  0
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 11 10  1  0  0  0  0
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 13 12  2  0  0  0  0
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 15 14  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 17 21  1  1  0  0  0
 19 22  1  6  0  0  0
 18 23  1  1  0  0  0
 16 24  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001593-3D
FYIcenter.com

 58 58  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 32  1  0  0  0  0
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  5 34  1  0  0  0  0
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  6  7  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
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  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 11  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 46  1  0  0  0  0
 11 47  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
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 17 18  1  0  0  0  0
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 24 58  1  0  0  0  0
M  END
$$$$

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2022-10-07, 1324👍, 0💬