Molecule FYI-1016598

Molecule Summary:

ID: FYI-1016598
Names:
InChIKey: TVMOOENUPDYFSL-DWFNAERPSA-N
SMILES: C[C@@]4(CO)[C@H](O)CC[C@@]5(C)[C@H](C/C=C/1C(=O)OC[C@@H]1Oc2ncc(Br)c3ccccc23)[C@@]6(CC[C@H]45)CO6

Received at FYIcenter.com on: 2026-01-27

Molecule ID: FYI-1016598 Edit

Molecule Structure InChIKey: TVMOOENUPDYFSL-DWFNAERPSA-N

Molecule Structure SMILES String: C[C@@]4(CO)[C@H](O)CC[C@@]5(C)[C@H](C/C=C/1C(=O)OC[C@@H]1Oc2ncc(Br)c3ccccc23)[C@@]6(CC[C@H]45)CO6

Download SDF Download SVG Structure in 2D SDF:

FYI-1016598
FYIcenter.com

 37 42  0  0  1  0  0  0  0  0999 V2000
   15.3831    0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7458    0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7458    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5334    1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9582    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6802    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6171    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3259    4.2681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9945    4.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7034    6.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7438    7.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4527    8.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1213    8.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0808    7.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    6.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    5.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9986    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    4.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9540    3.7639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7901    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5956    2.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1707    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3831    1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3831    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  6  0  0  0
  7  5  1  0  0  0  0
  7  8  1  6  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 10 12  1  1  0  0  0
 13 10  1  0  0  0  0
 13  5  1  0  0  0  0
 13 14  1  6  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 16  1  0  0  0  0
 20 21  1  6  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
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 35  7  1  0  0  0  0
 35  2  1  0  0  0  0
 35 36  1  1  0  0  0
 37 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016598-3D
FYIcenter.com

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