Molecule Editor

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
    9.4904    5.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0596    4.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    6.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6673    4.9319    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
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    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6292    2.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4521    3.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7175    6.3638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0491    6.7964    0.0000 N   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
    6.3806    7.2292    0.0000 N   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
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    3.6373    2.8000    0.0000 O   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
    0.0000    4.9000    0.0000 O   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
    8.5535    4.3306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  6  0  0  0
  6  9  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  6  0  0  0
 13 12  1  0  0  0  0
 14 13  1  6  0  0  0
 11 17  1  0  0  0  0
 16 14  1  0  0  0  0
 15 17  2  0  0  0  0
 18 16  1  0  0  0  0
 17  4  1  0  0  0  0
 20 18  1  0  0  0  0
 19 21  3  0  0  0  0
 22 20  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  6  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 22  1  0  0  0  0
 27 14  1  0  0  0  0
 20 28  1  1  0  0  0
 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
    7.5192   -6.7296    4.7739 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.5065   -5.0919    2.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3739   -4.7410    2.3309 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5636   -4.9938    3.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5024   -3.2074    2.2097 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1387   -2.9619    1.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0854   -2.5378    3.4753 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3465   -2.5737    4.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3510   -3.2758    3.8782 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1496   -3.2079    3.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9562   -2.8253    5.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$