Molecule FYI-1003549

A

Molecule Summary:

ID: FYI-1003549
Names:
InChIKey: PLKWDGDBKUZTFA-GVFUAVMUSA-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: 2023-06-30

Molecule ID: FYI-1003549 Edit

Molecule Structure InChIKey: PLKWDGDBKUZTFA-GVFUAVMUSA-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-1003549
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
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    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   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
  1  2  1  1  0  0  0
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  4  5  1  1  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
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 13 11  1  0  0  0  0
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 18  6  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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 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-1003549-3D
FYIcenter.com

 63 65  0     1  0  0  0  0  0999 V2000
   -2.3826    0.4546   -0.4518 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8944    0.1799    0.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3265    2.2671   -0.8738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0425   -1.1868    1.1218 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6589   -1.5113    0.5240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1292   -1.0801   -1.3294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4971    3.0032   -1.0451 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9414   -2.3672   -0.1290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6882    1.9181    0.0348 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7954    1.3559    1.8796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6700   -0.0645   -0.5524 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9244    2.3193    0.0723 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6113   -1.2900   -0.7886 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-07-11, 1863👍, 0💬