Molecule Editor

Molecule ID: FYI-1007557 Edit

Molecule Structure InChIKey: ZLRJIWCKOYOIAS-GIJQJNRQSA-Q

Molecule Structure SMILES String: OCC(O)C(O)C(O)C(O)/C=N/NC3=[N+]=C(N1CCOCC1)[NH+]=C(N2CCOCC2)[NH2+]3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007557
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   16.9740    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    6.0621    4.9000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  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  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 20  1  0  0  0  0
 26 16  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007557-3D
FYIcenter.com

 63 65  0  0  1  0  0  0  0  0999 V2000
    5.0645   -6.7186   -0.5822 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0727   -7.5125    0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7088   -8.1432    1.3250 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9141   -8.8217    0.9299 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0451   -7.0876    2.4050 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8570   -6.4222    2.8424 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7952   -7.6891    3.6199 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0661   -8.2623    3.2591 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0386   -6.6597    4.7403 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6707   -7.3117    5.8425 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8850   -4.4983    3.8452 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2737   -4.5752    3.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0122   -3.4958    4.0136 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.3327   -3.6934    3.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2748   -2.7061    4.1913 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8060   -1.3043    4.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0598   -0.4005    4.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8817   -0.6756    5.3551 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2813   -2.0517    5.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0492   -2.9657    5.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8653   -4.8438    3.5651 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.0823   -5.8815    3.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8192   -9.2046    1.1534 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$