Molecule FYI-1012841

A

Molecule Summary:

ID: FYI-1012841
Names:
InChIKey: FITSBBDKGYKKCX-SXHYJSICSA-N
SMILES: C/C=C(C)/C(=O)O[C@@H]5[C@@H]6[C@H]1O[C@]14[C@@H]3CC(=O)O[C@@H](c2ccoc2)[C@]3(C)CC[C@@H]4[C@]7(C)[C@@H](CC(=O)OC)[C@]5(C)[C@H](OCC)O[C@]67O

Received at FYIcenter.com on: 2024-10-23

Molecule ID: FYI-1012841 Edit

Molecule Structure InChIKey: FITSBBDKGYKKCX-SXHYJSICSA-N

Molecule Structure SMILES String: C/C=C(C)/C(=O)O[C@@H]5[C@@H]6[C@H]1O[C@]14[C@@H]3CC(=O)O[C@@H](c2ccoc2)[C@]3(C)CC[C@@H]4[C@]7(C)[C@@H](CC(=O)OC)[C@]5(C)[C@H](OCC)O[C@]67O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012841
FYIcenter.com

 45 51  0  0  1  0  0  0  0  0999 V2000
    6.5191   10.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3730    9.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4668    8.3639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4429    6.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3606    6.2296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7721    5.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6347    6.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0895    7.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2013    2.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3615    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3099    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5733    2.0096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4647    4.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3561    6.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8368    4.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0670    3.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0216    4.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3816    5.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0313    5.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2995    9.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5969    9.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6281    8.8380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8630   11.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1603   11.5268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7476    4.3929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607    5.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607    6.4486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    4.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1869    5.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    3.0224    0.0000 C   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  6  0  0  0
  5  4  1  0  0  0  0
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  6  7  1  6  0  0  0
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  8  9  1  1  0  0  0
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 45 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012841-3D
FYIcenter.com

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