Molecule FYI-1003525

A

Molecule Summary:

ID: FYI-1003525
Names:
InChIKey: PLKWDGDBKUZTFA-XDNQAXCOSA-N
SMILES: C[C@@H]3O[C@@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]2O)[C@@H]3O

Received at FYIcenter.com on: 2023-06-27

Molecule ID: FYI-1003525 Edit

Molecule Structure InChIKey: PLKWDGDBKUZTFA-XDNQAXCOSA-N

Molecule Structure SMILES String: C[C@@H]3O[C@@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]2O)[C@@H]3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003525
FYIcenter.com

 31 33  0  0  1  0  0  0  0  0999 V2000
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   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
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    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
    9.6995    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 O   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
   12.1244    0.0000    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
   14.5492    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  1  0  0  0
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  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
 11  9  1  0  0  0  0
 11 12  1  1  0  0  0
 13 11  1  0  0  0  0
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 16 14  1  0  0  0  0
 16  8  1  0  0  0  0
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 18  6  1  0  0  0  0
 19 18  1  0  0  0  0
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 21 19  1  0  0  0  0
 21  3  1  0  0  0  0
 21 22  1  6  0  0  0
 23  1  1  0  0  0  0
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 26 27  1  6  0  0  0
 28 26  1  0  0  0  0
 28 29  1  6  0  0  0
 30 28  1  0  0  0  0
 30  1  1  0  0  0  0
 30 31  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003525-3D
FYIcenter.com

 63 65  0  0  1  0  0  0  0  0999 V2000
   -4.8127   -3.8368   -2.6209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0539   -4.6232   -3.0719 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1781   -4.7028   -4.5056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5024   -3.4503   -5.0993 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -7.8717   -2.9470   -4.5839 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.8852   -3.8969   -4.9746 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9234   -1.7393   -2.6211 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2126    0.9888   -4.3029 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6897    2.3222   -4.4913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9997    0.6562   -2.8107 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1809    1.6336   -2.1556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8018    1.6579   -2.5656 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6693    2.0331   -3.9315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3158    2.1971   -4.3619 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3353    2.4108   -5.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7464    3.3997   -3.6086 C   0  0  1  0  0  0  0  0  0  0  0  0
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 31 63  1  0  0  0  0
M  END
$$$$

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2023-07-05, 516👍, 0💬