Molecule FYI-1004421

A

Molecule Summary:

ID: FYI-1004421
Names:
InChIKey: UVEWXANKRHSCDM-OXTXAHKWSA-N
SMILES: CC[C@@H]4CN3CC[C@@]2(O)C(=Nc1cccc(OC)c12)[C@@H]3C[C@@H]4/C(=C/O[C@H]5O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]5O)C(=O)OC

Received at FYIcenter.com on: 2023-09-05

Molecule ID: FYI-1004421 Edit

Molecule Structure InChIKey: UVEWXANKRHSCDM-OXTXAHKWSA-N

Molecule Structure SMILES String: CC[C@@H]4CN3CC[C@@]2(O)C(=Nc1cccc(OC)c12)[C@@H]3C[C@@H]4/C(=C/O[C@H]5O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]5O)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004421
FYIcenter.com

 41 45  0  0  1  0  0  0  0  0999 V2000
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937   10.7674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937   13.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9631   14.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1402   15.4442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7478   15.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3555   14.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1783   13.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6089   12.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085   13.9923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 22 12  1  0  0  0  0
 22 23  1  1  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 11 26  1  6  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28  9  1  0  0  0  0
 28 29  1  6  0  0  0
 30 29  1  0  0  0  0
 31  8  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 31  2  0  0  0  0
  3 35  1  6  0  0  0
 36 35  1  0  0  0  0
 37 35  2  0  0  0  0
 38  2  1  0  0  0  0
 39 38  1  0  0  0  0
 39  5  1  0  0  0  0
 39 40  1  1  0  0  0
 38 41  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004421-3D
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M  END
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