Molecule FYI-1004086

A

Molecule Summary:

ID: FYI-1004086
Names:
InChIKey: GGOMXBLDMFXZET-XGWAYLEJSA-N
SMILES: CC[C@@H]4CN3CC[C@]2(Nc1cccc(OC)c1C2=O)[C@@H]3C[C@@H]4/C(=C\\OC)C(=O)O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O

Received at FYIcenter.com on: 2023-08-10

Molecule ID: FYI-1004086 Edit

Molecule Structure InChIKey: GGOMXBLDMFXZET-XGWAYLEJSA-N

Molecule Structure SMILES String: CC[C@@H]4CN3CC[C@]2(Nc1cccc(OC)c1C2=O)[C@@H]3C[C@@H]4/C(=C\OC)C(=O)O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004086
FYIcenter.com

 41 45  0  0  1  0  0  0  0  0999 V2000
    9.3969    6.8454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0969    8.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4892    8.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5296    7.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2385    5.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2790    4.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8611    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1521    9.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1118   10.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7803    9.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5679   10.2736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5274    9.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9580   10.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5657   10.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    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
    9.6995    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12  2  1  1  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  6  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  6  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  6  0  0  0
 24 23  1  0  0  0  0
 24 25  1  1  0  0  0
 26 24  1  0  0  0  0
 26 27  1  6  0  0  0
 28 26  1  0  0  0  0
 28 29  1  1  0  0  0
 30 28  1  0  0  0  0
 30 31  1  6  0  0  0
 32 31  1  0  0  0  0
 33 31  2  0  0  0  0
 34 30  1  0  0  0  0
 34 23  1  0  0  0  0
 35 21  2  0  0  0  0
 36 20  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 19  1  0  0  0  0
 39 40  1  6  0  0  0
 41 40  1  0  0  0  0
 17 39  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-08-25, 1197👍, 0💬