Molecule FYI-1001083

A

Molecule Summary:

ID: FYI-1001083
SMILES: Cc1cn([C@@]2([H])C[C@@]([H])([C@@]([H])(CO[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O3)O)O)O)O2)N=[N+]=[N-])c(=O)nc1O

Received at FYIcenter.com on: 2021-12-03

Molecule ID: FYI-1001083 Edit

Molecule Structure SMILES String: Cc1cn([C@@]2([H])C[C@@]([H])([C@@]([H])(CO[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O3)O)O)O)O2)N=[N+]=[N-])c(=O)nc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001083
FYIcenter.com

 31 33  0  0  1  0  0  0  0  0999 V2000
   13.9208    7.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0979    6.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7056    6.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    5.2246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4210    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 29  1  6  0  0  0
 16 30  1  1  0  0  0
 31 10  1  0  0  0  0
 31  5  1  0  0  0  0
  8 23  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001083-3D
FYIcenter.com

 52 54  0  0  1  0  0  0  0  0999 V2000
    4.8775  -11.4322    4.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7800  -10.8958    5.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0121   -9.6014    5.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9518   -9.1742    6.6708 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2421   -7.7454    6.8586 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8510   -7.4505    7.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7048   -7.3511    6.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8621   -7.3174    5.1838 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0164   -8.3135    4.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
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 38 39  1  0  0  0  0
 39 52  1  0  0  0  0
M  END
$$$$

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2022-04-13, 2148👍, 0💬