Molecule Editor

Molecule ID: FYI-1015410 Edit

Molecule Structure InChIKey: ZOAAPYCYVVGNDV-HLPPOEQASA-N

Molecule Structure SMILES String: O=c3ccn([C@@H]1O[C@@]2(COP(=O)(O)OCCCO)CO[C@@H]1[C@@H]2OP(=O)(O)OCCCO)c(=O)[nH]3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015410
FYIcenter.com

 34 36  0  0  1  0  0  0  0  0999 V2000
   16.5759    9.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3509    8.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2090    9.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9839    8.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9010    7.2036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6759    6.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4613    7.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4852    6.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4663    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0428    6.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9597    5.0818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2678    7.0596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
 34  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015410-3D
FYIcenter.com

 60 62  0  0  1  0  0  0  0  0999 V2000
    0.9563    0.3543    0.1964 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1631    0.1564    0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0949    0.6496    1.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4132    0.5080    0.9411 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278   -0.0635   -0.1987 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3685   -0.0978   -0.4892 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1754    0.5578    0.5512 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8968    1.6200   -0.1699 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.4987    6.5895    2.9607 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744    7.7173    3.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1279    0.3803   -2.1283 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$