Molecule FYI-1004903

A

Molecule Summary:

ID: FYI-1004903
Names:
InChIKey: XUCIJNAGGSZNQT-UHFFFAOYSA-N
SMILES: N#CC(OC2OC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)C2O)c3ccccc3

Received at FYIcenter.com on: 2023-09-28

Molecule ID: FYI-1004903 Edit

Molecule Structure InChIKey: XUCIJNAGGSZNQT-UHFFFAOYSA-N

Molecule Structure SMILES String: N#CC(OC2OC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)C2O)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004903
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
   12.1244    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 O   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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 11 10  1  0  0  0  0
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 14 13  3  0  0  0  0
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 17 16  1  0  0  0  0
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 25 23  1  0  0  0  0
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 26 25  1  0  0  0  0
 27  5  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 29  1  0  0  0  0
 31 29  1  0  0  0  0
 31  3  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004903-3D
FYIcenter.com

 59 61  0  0  1  0  0  0  0  0999 V2000
    4.7016    2.0574    2.5382 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2358    1.9896    1.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7029    2.0371    0.0888 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2524    0.9772   -0.7364 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167    0.9756   -2.1055 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3102   -0.1996   -2.7880 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7494   -0.2629   -2.8555 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1634   -1.5405   -3.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-10-11, 2015👍, 0💬